Author: "A. Brereton" / Topic: chemistry - Searchworks@Jio Institute Digital Library Search Results

457 results on '"A. Brereton"'

1. Photocatalytic Transfer Hydrogenation in Water: Insight into Mechanism and Catalyst Speciation

Author: David M. Tiede, Kelsey R. Brereton, David M. Kaphan, Rachel C. Klet, Karen L. Mulfort, Massimiliano Delferro, Ryan J. Witzke, and Alexander J. M. Miller
Subjects: Inorganic Chemistry, Chemical engineering, Chemistry, Organic Chemistry, Genetic algorithm, Photocatalysis, Physical and Theoretical Chemistry, Transfer hydrogenation, Mechanism (sociology), Catalysis
Published: 2021

2. Size Matters: A Review of the Effect of Pellet Size on Animal Behaviour and Digestion

Author: James Edward Brereton
Subjects: Digestion (alchemy), Chemistry, Pellet size, animal diseases, Food science
Abstract: Pelleted diets are now available for animals housed in a wide range of captive conditions including as pets, in farms, laboratories, zoos and aquariums
Published: 2021

3. A tribute to Maarib (Darwish Lutfi Bakri) Bazzaz (1940–2020): the one who proved the existence of 'new' chlorophylls in plants

Author: Barbara A. Zilinskas, Rita Khanna, Richard G. Brereton, Govindjee Govindjee, and Rajni Govindjee
Subjects: Olive necrotic mutant of maize, Physiology, Plant physiology, Tribute, Review Article, Cell Biology, Plant Science, Biology, Vascular bundle, Monovinyl and divinyl chlorophyll (Chl) a, Chloroplast, chemistry.chemical_compound, Chlorophyll (Chl) biosynthesis in greening plants, Monovinyl and divinyl Chl b, chemistry, Chlorophyll, Botany, Plant biochemistry, Mesophyll and bundle sheath chloroplasts, Genetics, Ecology, Evolution, Behavior and Systematics, Debunking three light reactions in photosynthesis
Abstract: We present here a tribute to Maarib Bazzaz (1940-2020), formerly Maarib Darwish Lutfi Bakri, who was an innovative and a highly inquisitive plant physiologist of her time. Her research achievements include exploitation of a highly productive mutant of maize (ON8147), of differences between mesophyll and bundle sheath chloroplasts of maize, and of chlorophyll (Chl) biosynthesis. Above all, she provided convincing scientific proof that, in addition to the usual monovinyl Chl a and monovinyl Chl b, divinyl Chl a (4-vinyl-4-desethyl-Chl a) and divinyl Chl b (4-vinyl-4-desethyl-Chl b) exist in plants. We also include here reminiscences by some of her contemporaries. Particularly noteworthy is how effortlessly Maarib pursued her deep interest in science while raising two wonderful children. She was always curious about life’s mysteries and determined to search for answers in a thorough and logical manner. Above all and at all times, she was very kind to others.
Published: 2020

4. Development and mining of a database of historic European paper properties

Author: Yun Liu, Richard G. Brereton, Irena Kralj Cigić, Dirk Andreas Dr. Lichtblau, Thea Winther, Gerrit de Bruin, Barry Knight, and Matija Strlič
Subjects: Grammage, Polymers and Plastics, Database, 010401 analytical chemistry, Rosin, 02 engineering and technology, 021001 nanoscience & nanotechnology, computer.software_genre, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, chemistry, European origin, Principal component analysis, medicine, Environmental science, Lignin, Degradation (geology), Cellulose, 0210 nano-technology, computer, medicine.drug
Abstract: A database of historic paper properties was developed using 729 samples of European origin (1350–1990), analysed for acidity, degree or polymerisation (DP), molecular weight of cellulose, grammage, tensile strength, as well as contents of ash, aluminium, carbonyl groups, rosin, protein, lignin and fibre furnish. Using Spearman’s rank correlation coefficient and principal component analysis, the data were examined with respect to methods of manufacture, as well as chemical stability of paper. Novel patterns emerged related to loss of DP and accumulation of carbonyl groups and acidity with time and the role of lignin and rosin, as well as rate of degradation (k = 10−5 year−1) at room conditions. In-depth understanding of long-term degradation of lignin and rosin is needed to better understand the relationships between composition and degradation of historic paper. This study highlights the importance of mining significant volumes of analytical data, and its variability, obtained from real historic objects.
Published: 2020

5. European analytical column number 42

Author: Tauler, Roma, Marini, Federico, Walczak, Beata, Buydens, Lutgarde, Brereton, Richard G., Buchberger, Wolfgang, and Worsfold, Paul J.
Subjects: Chemical engineering -- Research, Chemical engineering research, Chemistry, Analytic -- Research, Periodical publishing -- Services, Chemistry
Abstract: 1. INFORMATION FROM THE EuCheMS DIVISION OF ANALYTICAL CHEMISTRY (DAC) Euroanalysis XVII, held in Warsaw, Poland, August 25-29, was the prime event within the DAC portfolio of activities for 2013. [...]
Published: 2014
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6. Phytochelatin and coumarin enrichment in root exudates of arsenic-treated white lupin

Author: Emmanuel Gonzalez, Jacques Brisson, Nicholas J. B. Brereton, Adrien Frémont, Mathieu Sarrazin, Frederic E. Pitre, and Eszter Sas
Subjects: 0106 biological sciences, Exudate, Physiology, chemistry.chemical_element, Plant Science, 01 natural sciences, Plant Roots, Arsenic, 03 medical and health sciences, Soil, Metabolomics, Nutrient, Coumarins, medicine, Phytochelatins, 030304 developmental biology, 0303 health sciences, Rhizosphere, Exudates and Transudates, 15. Life on land, Plants, Soil contamination, Lupinus, Phytoremediation, chemistry, 13. Climate action, Environmental chemistry, Phytochelatin, medicine.symptom, 010606 plant biology & botany
Abstract: Soil contamination with toxic metalloids, such as arsenic, can represent a substantial human health and environmental risk. Some plants are thought to tolerate soil toxicity using root exudation, however, the nature of this response to arsenic remains largely unknown. Here, white lupin plants were exposed to arsenic in a semi-hydroponic system and their exudates were profiled using untargeted liquid chromatography tandem mass spectrometry. Arsenic concentrations up to 1 ppm were tolerated and led to accumulation of 12.9 μg As g-1 dry weight (DW) and 411 μg As g-1 DW in aboveground and belowground tissues, respectively. From 193 exuded metabolites, 34 were significantly differentially abundant due to 1 ppm arsenic, including depletion of glutathione disulphide and enrichment of phytochelatins and coumarins. Significant enrichment of phytochelatins in exudates of arsenic-treated plants was further confirmed using exudate sampling with strict root exclusion. The chemical tolerance toolkit in white lupin included nutrient acquisition metabolites as well as phytochelatins, the major intracellular metal-binding detoxification oligopeptides which have not been previously reported as having an extracellular role. These findings highlight the value of untargeted metabolite profiling approaches to reveal the unexpected and inform strategies to mitigate anthropogenic pollution in soils around the world. This article is protected by copyright. All rights reserved.
Published: 2021

7. Examining lysyl oxidase-like modulation of collagen architecture in 3D spheroid models of idiopathic pulmonary fibrosis via second-harmonic generation microscopy

Author: Darian S. James, Donna E. Davies, Mark Jones, Paul J. Campagnola, and Christopher J. Brereton
Subjects: Paper, collagen, animal structures, Biomedical Engineering, Lysyl oxidase, Matrix (biology), Protein-Lysine 6-Oxidase, Biomaterials, stiffness, Idiopathic pulmonary fibrosis, Microscopy, medicine, Humans, crosslinking, polarization, Chemistry, Spheroid, Second Harmonic Generation Microscopy, medicine.disease, Idiopathic Pulmonary Fibrosis, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Modulation, Biophysics, Collagen architecture, second-harmonic generation
Abstract: Significance: Idiopathic pulmonary fibrosis (IPF) patients have a poor prognosis with short lifespan following diagnosis as there are limited effective treatment options. Despite matrix stiffening being the hallmark of the disease there remains a lack of knowledge surrounding the underlying collagen alterations in the disease. Specifically, while increased collagen crosslinking has been implicated, the resulting effects on collagen macro/supramolecular changes have not been explored. Aim: We sought to determine if second-harmonic generation (SHG) microscopy could characterize differences in the collagen architecture in 3D spheroid models of IPF grown under different crosslinking modulation conditions (promotion and inhibition). Approach: We used SHG metrics based on the fiber morphology, relative SHG brightness, and macro/supramolecular structure by SHG polarization analyses to compare the structure of the IPF spheroids. Results: Comparison of the fiber morphology of the spheroids showed that the control group had the longest, straightest, and thickest fibers. The spheroids with crosslink enhancement and inhibition had the highest and lowest SHG conversion efficiencies, respectively, consistent with the resulting harmonophore density. SHG polarization analyses showed that the peptide pitch angle, alignment of collagen molecules, and overall chirality were altered upon crosslink modulation and were also consistent with reduced organization relative to the control group. Conclusions: While no single SHG signature is associated with crosslinking, we show that the suite of metrics used here is effective in delineating alterations across the collagen architecture sizescales. The results largely mirror those of human tissues and demonstrate that the combination of 3D spheroid models and SHG analysis is a powerful approach for hypothesis testing the roles of operative cellular and molecular factors in IPF.
Published: 2021

8. Nanotesla Magnetometry with the Silicon Vacancy in Silicon Carbide

Author: Cameron Gutgsell, Elizabeth A. Pogue, B. D. Clader, Tyrel M. McQueen, Robert Osiander, Timothy M. Sweeney, Scott Sperling, Brian S. Tien-Street, Peter Brereton, Jacob Epstein, Dalibor Todorovski, Wesley Frey, Jeremiah J. Wathen, and John Abraham
Subjects: Quantum Physics, Materials science, Condensed matter physics, Silicon, Physics::Instrumentation and Detectors, Quantum sensor, FOS: Physical sciences, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Spin quantum number, Condensed Matter::Materials Science, chemistry.chemical_compound, chemistry, Vacancy defect, 0103 physical sciences, Silicon carbide, Sensitivity (control systems), Quantum Physics (quant-ph), 010306 general physics, 0210 nano-technology, Realization (systems), Excitation
Abstract: Silicon carbide is a promising host material for spin-defect-based quantum sensors owing to its commercial availability and established techniques for electrical and optical microfabricated device integration. The negatively charged silicon vacancy is one of the leading spin defects studied in silicon carbide owing to its near-telecom photoemission, high spin number, and nearly temperature-independent ground-state zero-field splitting. We report the realization of nanotesla shot-noise-limited ensemble magnetometry based on optically detected magnetic resonance with the silicon vacancy in $4H$ silicon carbide. By coarsely optimizing the anneal parameters and minimizing power broadening, we achieve a sensitivity of $50\phantom{\rule{0.2em}{0ex}}\mathrm{nT}/\sqrt{\mathrm{Hz}}$ and a theoretical shot-noise-limited sensitivity of $3.5\phantom{\rule{0.2em}{0ex}}\mathrm{nT}/\sqrt{\mathrm{Hz}}$. This is accomplished without utilizing complex photonic engineering, control protocols, or applying excitation powers greater than a watt. This work demonstrates that the silicon vacancy in silicon carbide provides a low-cost and simple approach to quantum sensing of magnetic fields.
Published: 2021

9. Thermodynamic Hydricity across Solvents: Subtle Electronic Effects and Striking Ligation Effects in Iridium Hydrides

Author: Alexander J. M. Miller, Caleb N. Jadrich, Kelsey R. Brereton, and Bethany M. Stratakes
Subjects: 010405 organic chemistry, Hydride, Organic Chemistry, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Solvent, Crystallography, chemistry, Electronic effect, Iridium, Physical and Theoretical Chemistry
Abstract: Insights into the influence of solvent on hydride transfer emerge from a study of iridium complexes with the formula [Cp*Ir(bpy-X)H]+ (bpy-X = 4,4′-X2-2,2′-bipyridine, X = H, Me, tBu, OMe, CO2Me, a...
Published: 2019

10. Pseudohypoxic HIF pathway activation dysregulates collagen structure-function in human lung fibrosis

Author: Matthew Loxham, Mark Jones, Robert A. Ridley, Tim Wallis, Mohammed S, Rob M. Ewing, Yilu Zhou, Elizabeth R. Davies, Ben G. Marshall, Philipp J. Thurner, Tavassoli A, Milica Vukmirovic, Naftali Kaminski, Yihua Wang, Aiman Alzetani, Aurelie Fabre, Sophie V. Fletcher, Franco Conforti, Lareb S. N. Dean, Liudi Yao, Joseph Bell, Donna E. Davies, Atul Bhaskar, Christopher J. Brereton, Luca Richeldi, and Orestis G. Andriotis
Subjects: Extracellular matrix, Chemistry, Fibrosis, Mesenchymal stem cell, medicine, Endogeny, Mechanosensitive channels, medicine.disease, medicine.disease_cause, Ex vivo, In vitro, Oxidative stress, Cell biology
Abstract: Extracellular matrix (ECM) stiffening with downstream activation of mechanosensitive pathways is strongly implicated in fibrosis. We previously reported that altered collagen nanoarchitecture is a key determinant of pathogenetic ECM structure-function in human fibrosis (Jones et al., 2018). Here, through human tissue, bioinformatic and ex vivo studies we show that hypoxia-inducible factor (HIF) pathway activation is a critical pathway for this process regardless of oxygen status (pseudohypoxia). Whilst TGFβ increased rate of fibrillar collagen synthesis, HIF pathway activation was required to dysregulate post-translational modification of fibrillar collagen, promoting ‘bone-type’ cross-linking, altering collagen nanostructure, and increasing tissue stiffness. In vitro, knock down of Factor Inhibiting HIF (FIH) or oxidative stress caused pseudohypoxic HIF activation in normal fibroblasts. In contrast, endogenous FIH activity was reduced in fibroblasts from patients with lung fibrosis in association with significantly increased normoxic HIF pathway activation. In human lung fibrosis tissue, HIF mediated signalling was increased at sites of active fibrogenesis whilst subpopulations of IPF lung mesenchymal cells had increases in both HIF and oxidative stress scores. Our data demonstrate that oxidative stress can drive pseudohypoxic HIF pathway activation which is a critical regulator of pathogenetic collagen structure-function in fibrosis.
Published: 2021

11. Biorefinery potential of sustainable municipal wastewater treatment using fast-growing willow

Author: Paul S. Fennell, Ahmed Jerbi, Frederic E. Pitre, Jason P. Hallett, Adrien Frémont, Simon Barnabé, Mathieu Sarrazin, Michel Labrecque, J. Lamontagne, Nicholas J. B. Brereton, N. Legault, N. Fagoaga, Louis M. Hennequin, and Eszter Sas
Subjects: Environmental Engineering, 010504 meteorology & atmospheric sciences, Biomass, Ionic Liquids, 010501 environmental sciences, Wastewater, 7. Clean energy, 01 natural sciences, 12. Responsible consumption, Water Purification, Bioenergy, Environmental Chemistry, Waste Management and Disposal, Effluent, 0105 earth and related environmental sciences, Chemistry, Salix, 15. Life on land, Biorefinery, Pulp and paper industry, Pollution, 6. Clean water, Phytochemical, 13. Climate action, Biofuel, Sewage treatment
Abstract: The use of willow plantations can be a sustainable approach for treating primary municipal wastewater, potentially reducing both the environmental and economic burdens associated with conventional treatment. However, the impact of wastewater irrigation upon the willow biorefinery potential has not yet been established. To investigate this effect, three-year-old field grown willows were harvested from plots kept as either controls or irrigated with primary municipal wastewater effluent at 29.5 million L ha−1 yr−1. Biomass compositional analysis, ionic liquid pretreatment and enzymatic saccharification were assessed and differential abundance of persistent extractable phytochemicals was evaluated using untargeted metabolite profiling. Glucan significantly increased by 8% in wastewater treated trees, arabinose and galactose were significantly decreased by 8 and 29%, respectively, while xylose, mannose and lignin content were unaltered. Ionic liquid pretreatment and enzymatic saccharification efficiencies did not vary significantly, releasing >95% of the cell wall glucose and recovering 35% of the lignin. From a total of 213 phytochemical features, 83 were significantly depleted and 14 were significantly enriched due to wastewater irrigation, including flavonoids and lignan derivatives. Considered alongside increased biomass yield from wastewater irrigation (+200%), lignocellulosic bioenergy yields increased to 8.87 t glucose ha−1 yr−1 and 1.89 t ha−1 yr−1 recovered lignin, while net extractives yields increased to 1.48 t ha−1 yr−1, including phytochemicals of interest. The maintenance of glucose accessibility after low-cost ionic liquid pretreatment is promising evidence that sustainable lignocellulose bioenergy production can complement wastewater treatment. Untargeted metabolite assessment revealed some of the phytochemical toolkit employed by wastewater irrigated willows, including accumulation of flooding and salinity tolerance associated flavonoids glabraoside A and glabrene. The extractable phytochemicals underpin a novel high biomass phenotype in willow and, alongside lignocellulosic yields, could help enhance the economic feasibility of this clean wastewater treatment biotechnology through integration with sustainable biorefinery.
Published: 2021

12. Azithromycin in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial

Author: Eugenia Abaleke, Mustafa Abbas, Sadia Abbasi, Alfie Abbott, Ashraf Abdelaziz, Sherif Abdelbadiee, Mohamed Abdelfattah, Basir Abdul, Althaf Abdul Rasheed, Rezan Abdul-Kadir, Abdulfatahi Abdulmumeen, Niyaz Abdulshukkoor, Kula Abdusamad, Yazeed Abed El Khaleq, Mai Abedalla, Abeer UA Abeer Ul Amna, Adebanke Aboaba, Hani Abo-Leyah, Ahmed Abou-Haggar, Mahmoud Abouibrahim, Miriam Abraham, Tizzy Abraham, Abraheem Abraheem, Judith Abrams, Hyacinth-John Abu, Ahmad Abu-Arafeh, Syed M Abubacker, Akata Abung, Yaa Aceampong, Devikumar Acharya, Janet Acheson, Andres Acosta, Catherine Acton, Jacqueline Adabie-Ankrah, Fiona Adam, Matthew Adam, Huzaifa Adamali, Carol Adams, Kate Adams, Richard Adams, Tim Adams, Malgorzata Adamus, Kirsty Adcock, Aderonke Adebiyi, Ken Adegoke, Vicki Adell, Aldrin Adeni, Sherna Adenwalla, Oluwasegun A Adesemoye, Emmanuel O Adewunmi, Joyce Adeyemi, Elizabeth Adeyeye, Gabrielle Adkins, Adnan Adnan, John Aeron-Thomas, Lynn Afari, Debbie Affleck, Carmel Afnan, Deborah Afolabi, Muhammad Afridi, Rachel Agbeko, Chris Agbo, Sunil Aggarwal, Arameh Aghababaie, Judith Agwada-Akeru, Kwame A Agyapong, Shafana Ahamed Sadiq, Mohamed H Ahammed Nazeer, Jonathan Ah-Chuen, Mahin Ahmad, Ashar Ahmed, Bilal Ahmed, Forizuddin Ahmed, Iram Ahmed, Irshad Ahmed, Liban Ahmed, Maria C Ahmed, Muhammad S Ahmed, Naseer Ahmed, Nausheen Ahmed, Osama Ahmed, Rajia A Ahmed, Rizwan Ahmed, Saif Ahmed, Sammiya Ahmed, Sara Ahmed, Syed H Ahmed, Roa Ahmed Ali, Sana Ahmer, Dhiraj Ail, Adam Ainsley, Mark Ainsworth, Myriam Aissa, Lucy Aitchson, Lindianne Aitken, Bini Ajay, Abdulakeem Ajibode, Ayesha Ajmi, Muhammad N Akhtar, Nasim Akhtar, Suha Akili, Oludoyinsola Akindolie, Yinka Akinfenwa, Olugbenga Akinkugbe, Ibrahim Akinpelu, Umeh Akudo, Asma Al Balushi, Majd Al Dakhola, Narendra Aladangady, Sajid Alam, Abbas Al-Asadi, Kyriaki Alatzoglou, Lorraine Albon, Stephen Alcorn, Aggie Aldana, David Alderdice, Rayan Aldouri, Jonathan Aldridge, Nicolas Aldridge, Ana Alegria, Alison Alexander, John Alexander, Peter DG Alexander, Julyan Al-Fori, Bahij Al-Hakim, Shams Al-Hity, Ali Ali, Anyat Ali, Fawzia R Ali, Jawad Ali, Mariam Ali, Mohammad Ali, Oudai Ali, Sakina Ali, Syed Ali, Abid Alina, Katrin Alizaedeh, Maithem Al-Jibury, Moutaz Alkhusheh, Alison Allanson, Robert Allcock, Eireann Allen, Jonathan Allen, Kerry Allen, Louise Allen, Rebecca Allen, Sam Allen, Sharon Allen, Simon Allen, Kathryn Allison, Bethan Allman, Lynne Allsop, Christine Almadenboyle, Hassan Al-Moasseb, Magda Al-Obaidi, Lina Alomari, Akram Al-Rabahi, Bahar Al-Ramadhani, Zayneb Al-Saadi, Warkaq Al-Shamkhani, Bashar Al-Sheklly, Mary Alvarez, Maysaa Alzetani, Susan Amamou, Sakarai Ambalavanan, Sarah-Jayne Ambler, Robert Ambrogetti, Chris Ambrose, Amir Ameen, Maria R Amezaga, Allison Amin, Amina Amin, Kanish Amin, Amjad Amjad, Victoria Amosun, Khaled Amsha, Atul Anand, Samantha Anandappa, Julie Anderson, Laura Anderson, Michelle Anderson, Nicola Anderson, Rachel Anderson, Rory Anderson, Prematie Andreou, Angela Andrews, Jill Andrews, Kanayochukwu Aneke, Andrew Ang, Wan Wei Ang, Tammy Angel, Paola Angelini, Lazarus Anguvaa, Oleg Anichtchik, Millicent Anim-Somuah, Krishnan Aniruddhan, Alpha Anthony, Aaron Anthony-Pillai, Philip Antill, Zhelyazkova Antonina, Varghese Anu, Muhammad Anwar, Aristeidis Apostolopoulos, Sarah Appleby, Diane Appleyard, Bianca Araba, Angela Aramburo, Ann Archer, Denise Archer, Simon Archer, Christian Ardley, Ana-Maria Arias, Ryoki Arimoto, Charlotte Arkley, Charlotte Armah, Ilianna Armata, Adam Armitage, Ceri Armstrong, Maureen Armstrong, Sonia Armstrong, Philippa Armtrong, Heike Arndt, Clare Arnison-Newgass, David Arnold, Rachael Arnold, Dhawal Arora, Pardeep Arora, Rishi Arora, Arslam Arter, Ganesh Arunachalam, Rita Arya, Salma Asam, Denisa Asandei, Adeeba Asghar, Catherine Ashbrook-Raby, Helen Ashby, Jan Ashcroft, John Ashcroft, Ayesha Ashfaq, Abdul Ashish, Sally Ashman-Flavell, Sundar Ashok, Muhammad Z Ashraf, Saima Ashraf, Mohammad B Ashraq, Deborah Ashton, Susan Ashton, Andrew Ashworth, Rebecca Ashworth, Harshini Asogan, Julia Asplin, Atif Asrar, Omar Assaf, Raine Astin-Chamberlain, Deborah Athorne, Christopher Atkins, Stacey Atkins, John Atkinson, Vicki Atkinson, Ahmed Attiq, Paula Aubrey, Suzannah August, Aye CT Aung, Hnin Aung, Kyaw Thu Aung, Nini Aung, Zaw Myo Aung, Emily Austin, Karen Austin, Miriam Avery, Joanne Avis, Cristina Avram, Paula Avram, Gabriel Awadzi, Aszad Aya, Eman Ayaz, Amanda Ayers, Vivek Ayra, Jawwad Azam, Mohammed Azharuddin, Ghazala Aziz, Ashaari Azman Shah, Giada Azzopardi, Hocine Azzoug, Nasaruilla Babajan, Fiyinfoluwa Babatunde, Melvin Babi, Babiker Babiker, Gayna Babington, Matthew Babirecki, Adetona O Babs-Osibodu, Gina Bacon, Jenny Bacon, Bibi Badal, Gurpreet R Badhan, Shreya Badhrinarayanan, Joseph Bae, Alice Baggaley, Amy Baggott, Graham Bagley, Dinesh Bagmane, Kasra Bahadori, Gayathri Baijiu, Charles Bailey, Julie Bailey, Katie Bailey, Lindsey Bailey, Liz Bailey, Morgan Bailey, Peter Bailey, Hamish Baillie, Kenneth Baillie, Jennifer Bain, Karen Bain, Becky Bainton, David Baird, Yolanda Baird, Aiysha Bajandouh, Evelyn Baker, Johanne Baker, Kenneth Baker, Pearl Baker, Hugh Bakere, Nawar Bakerly, Michelle Baker-Moffatt, Panos Bakoulas, Abhijit Bal, Niranjan Balachandran, Irvin Balagosa, Andrea Balan, Theodosios Balaskas, Madhu Balasubramaniam, Alison Balcombe, Cheryl Baldwick, Alexander Baldwin, Ashley Baldwin, Danielle Baldwin, Lisa Baldwin, Rebekah Baldwin-Jones, James Balfour, Ceri Ball, Craig Balmforth, Gabby Bambridge, Alasdair Bamford, Amy Bamford, Peter Bamford, Adefunke Bamgboye, Kasun Bamunuarachchi, Elizabeth Bancroft, Hollie Bancroft, Joyce Banda, Srini Bandi, Nageswar Bandla, Somaditya Bandyopadhyam, Ritwik Banerjee, Sandip Banerjee, Harrison Banks, Luke Banks, Daniel Banner, Oliver Bannister, Christopher Bannon, Laura Banton, Mariamma Baptist, Tanya Baqai, Ananya M Baral, Desislava Baramova, Russell Barber, Emma Barbon, Monica Barbosa, Jamie Barbour, Alexander Barclay, Charlotte Barclay, Stephanie Bareford, Shahedal Bari, Amy Barker, Debbie Barker, Joseph B Barker, Leon Barker, Oliver Barker, Kerry Barker-Williams, Sinha Barkha, Juliana Barla, Gavin Barlow, Richard Barlow, James Barnacle, Alex Barnard, Debi Barnes, Nicky Barnes, Amy Barnett, Debra Barnett, Ashton Barnett-Vanes, William Barnsley, Andrew Barr, David Barr, Shaney Barratt, Manuella Barrera, Fiona Barrett, Jessica Barrett, Jazz Bartholomew, Sarah Bartholomew, Claire Bartlett, Georgina Bartlett, Greg Barton, Jill Barton, Rachael Barton, Rosaleen Baruah, Sonia Baryschpolec, Archana Bashyal, Betsy Basker, Ayten Basoglu, Amira Bassaly, G Bassett, Bengisu Bassoy, Anupam Basumatary, Adam Bataineh, Freddie Batalla, Tristan Bate, Harry John Bateman, Kathryn Bateman, Vhairi Bateman, Eleanor Bates, Hayley Bates, Michelle Bates, Rizvan Batha, Sally Batham, Ana Batista, Amit Batla, Dushyant Batra, Harry Batty, Thomas Batty, Miranda Baum, Carina Bautista, Fatima S Bawani, Simon Bax, Matt Baxter, Nicola Baxter, Hannah Bayes, Farid Bazari, Rohit Bazaz, Ahmad Bazli, Laura Beacham, Hannah Beadle, Wendy Beadles, Philip Beak, Andy Beale, Kathy Beardsal, Jack Bearpark, Karen Beaumont, Matthew Beaumont, Dawn Beaumont-Jewell, Theresa Beaver, Sarah Beavis, Christy Beazley, Sarah Beck, Virginia Beckett, Rosie Beckitt, Heidi Beddall, Seonaid Beddows, Deborah Beeby, Michelle Beecroft, Sally Beer, Jane Beety, Gabriela Bega, Alison Begg, Susan Begg, Sara Beghini, Ayesha Begum, Safia Begum, Teresa Behan, Roya Behrouzi, Jon Beishon, Claire Beith, James Belcher, Holly Belfield, Katherine Belfield, Ajay Belgaumkar, Dina Bell, Gareth Bell, Gillian Bell, Lauren Bell, Louise Bell, Nicholas Bell, Stephanie Bell, Jennifer L Bell, Mary Bellamy, Arianna Bellini, Amanda Bellis, Fionn Bellis, Lesley Bendall, Naveena Benesh, Nicola Benetti, Leonie Benham, Guy Benison-Horner, Ann Bennett, Caroline Bennett, Gillian Bennett, Kristopher Bennett, Lorraine Bennett, Sara Bennett, Vivienne Benson, Andrew Bentley, Ian Benton, Eva Beranova, Matthew Beresford, Colin Bergin, Malin Bergstrom, Jolanta Bernatoniene, Thomas Berriman, Zoe Berry, Kimberley Best, Yvonne Beuvink, Emily Bevan, Sarah Bevins, Tom Bewick, Helen Bexhell, Andrew Bexley, Sonay Beyatli, Fenella Beynon, Arjun Bhadi, Sanjay Bhagani, Shweta Bhagat, Shiv Bhakta, Rekha Bhalla, Mahesh Bhalme, Khushpreet Bhandal, Kulbinder Bhandal, Ravina Bhanot, Prashanth Bhat, Nikhil Bhatia, Rahul Bhatnagar, Janki Bhayani, Deepika Bhojwani, Salimuzzaman Bhuiyan, Anna Bibby, Naheeda Bibi, Salma Bibi, Tihana Bicanic, Julie Bigg, Sarah Biggs, Alphonsa Biju, Andras Bikov, Sophie Billingham, Jessica Billings, Alice Binns, Oliver Bintcliffe, Catherine Birch, Janine Birch, Jenny Birch, Katherine Birchall, Sam Bird, Sumedha Bird, Mark Birt, Kilanalei Bishop, Linda Bishop, Lisa Bishop, Nibedan Biswas, Sahar Biuk, Karen Blachford, Ethel Black, Helen Black, Karen Black, Mairead Black, Polly Black, Sabrina Black, Bethan Blackledge, Joanne Blackler, Samantha Blackley, Helen Blackman, Caroline Blackstock, Francesca Blakemore, Helen Blamey, Sujata Blane, Simon Blankley, Parry Blaxill, Jane Blazeby, Natalie Blencowe, Ben Bloom, Angela Bloss, Hannah Bloxham, Louise Blundell, Susara Blunden, Mark Blunt, Ian Blyth, Kevin Blyth, Andrew Blythe, Karen Bobruk, Pritesh Bodalia, Neena Bodasing, Gabriele Boehmer, Marta Boffito, Sumit Bokhandi, Maria Bokhar, Saba Bokhari, Sakina Bokhari, Syed Owais Bokhari, Ambrose Boles, Matthew Bolton, Helena Bond, Stuart Bond, Thomas Bond, Alice Bone, Georgia Boniface, Lizzy Bonney, Joanne Borbone, Stephanie Borg, Catherine Borra, Samuel Bosompem, Liam Botfield, Fiona Bottrill, Hannah Bouattia, Laura Bough, Hayley Boughton, Zoe Boult, Miriam Bourke, Karen Bourne, Michelle Bourne, Rachel Bousefield, Lucy Boustred, Alexandra Bowes, Amy Bowes, Philip Bowker, Louise Bowman, Simon Bowman, Angie Bowring, Geetha Boyapati, Jenny Boyd, Laura Boyd, Namoi Boyle, Pauline Boyle, Rosalind Boyle, Louise Boyles, Leanna Brace, Jodie Bradder, Clare J Bradley, Pamela Bradley, Patrick Bradley, Joanne Bradley-Potts, Lynne Bradshaw, Zena Bradshaw, Rebecca Brady, Shirin Brady, Marie Branch, Emily Brandl-Salutz, Christina Branfield, Jamie Brannigan, Louise Brassington, Fiona Bray, Nancy Bray, Manny Brazil, Lucy Brear, Tracy Brear, Stephen Brearey, Morwenna Brend, Andrew Brereton, Chris Brewer, Gavin Bridgwood, Sara Brigham, John Bright, Christopher Brightling, Elaine Brinkworth, Robin Brittain-Long, Vianne Britten, Lauren Broad, Sarah Broad, Rosie Broadhurst, Andrew Broadley, Marie Broadway, Christopher Brockelsby, Megan Brocken, Tomos Brockley, Fiona Brogan, Felicity Brokke, Jacob Brolly, David Bromley, Hannah Brooke-Ball, Verity Brooker, Matthew Brookes, Alison Brooks, Kate Brooks, Nicole Brooks, Rachel Brooks, Sophie Brooks, Natalie Broomhead, Chloe Broughton, Nathaniel Broughton, Matt Brouns, Alison Brown, Carly Brown, Catrin Brown, Ellen Brown, Heather Brown, Janet Brown, Louise Brown, Niall Brown, Pauline Brown, Richard Brown, Robert Brown, Steven Brown, Tom Brown, Charlotte Browne, Duncan Browne, Rachel Browne, Stephen Brownlee, David Bruce, Johanna Bruce, Michelle Bruce, Wojciech Brudlo, Nigel Brunskill, Luke Brunton, Margaret Brunton, Jade Bryant, Mark Bryce, Maya Buch, Ruaridh Buchanan, Amanda Buck, Elizabeth Buckingham, Laura Buckley, Philip Buckley, Sarah Buckley, Carol Buckman, George Bugg, Ramadan Bujazia, Shanzay Bukhari, Richard Bulbulia, Alex Bull, Damian Bull, Rhian Bull, Thomas Bull, Sam Bullard, Naomi Bulteel, Katherine Bunclark, Roneleeh Bungue-Tuble, Caroline Burchett, Christy Burden, Thomas G Burden, Sarah Burge, Mika Burgess, Sophia Burgess, Emma Burke, Sara Burnard, Caroline Burnett, Amy Burns, Collette Burns, James Burns, Karen Burns, Daniel Burrage, Kate Burrows, Claire Burston, Ben Burton, Fiona Burton, Angus Butchart, Aaron Butler, Jo Butler, Joanne Butler, Joshua Butler, Peter Butler, Susan Butler, Al-Tahoor Butt, Caryl Butterworth, Nicola Butterworth-Cowin, Robert Buttery, Heather 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Cartwright, Claire Carty, Jaime Carungcong, Paula Carvelli, Aisling Cashell, Barbara Cassimon, Teresa Castiello, Gail Castle, Melanie Caswell, Ana Maria Catana, Heidi Cate, Susanne Cathcart, Katrina Cathie, Christine Catley, Laura Catlow, Kerry Causer, Luke Cave, Frianne Cawa, Kathryn Cawley, Philippa Cawley, Chloe Caws, Hankins Cendl, Jeva Cernova, Ed Cetti, Stephanie Chabane, Manish Chablani, Cathleen Chabo, David Chadwick, Julie Chadwick, Robert Chadwick, Ela Chakkarapani, Arup Chakraborty, Mallinath Chakraborty, Mollika Chakravorty, James Chalmers, Georgina Chamberlain, Sarah Chamberlain, Carol Chambers, Emma Chambers, Jonathan Chambers, Lucy Chambers, Naomi Chambers, Shreekant Champanerkar, Carmen Chan, Cheuk Chan, Evelyn Chan, Kimberley Chan, Ping Chan, Rebekah (Pui-Ching) Chan, Xin H Chan, Chris Chandler, Kim J Chandler, Zoe Chandler, Badrinathan Chandrasekaran, Josephine Chaplin, Graeme Chapman, John Chapman, Katie Chapman, Laura Chapman, Lianne Chapman, Polly Chapman, Timothy 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Dip Chudgar, Richard Chudleigh, Srikanth Chukkambotla, Izu Chukwulobelu, Favour Chukwunonyerem, Chi Y Chung, Jonathan Chung, Elaine Church, Sara R Church, David Churchill, Paola Cicconi, Zdenka Cipinova, Bessie Cipriano, Sarah Clamp, Melanie Clapham, Edel Clare, Sarbjit Clare, Andrew Clark, Charlotte Clark, Diane Clark, Felicity Clark, Gabrielle Clark, James Clark, Katherine Clark, Lucy Clark, Matthew Clark, Patricia Clark, Richard Clark, Thomas Clark, Zoe Clark, Andrea Clarke, Paul Clarke, Robert Clarke, Roseanne Clarke, Samantha Clarke, Sheron Clarke, Alleyna Claxton, Elizabeth Clayton, Olivia Clayton, Jill Clayton-Smith, Chris Cleaver, Jayne Clemens, Carlota Clemente de la Torre, Suzanne Clements, Sarah Clifford, Amelia Clive, Jonathan Clouston, Samantha Clueit, Andrea Clyne, Peter GL Coakley, Kathryn Cobain, Susan Coburn, Alexandra Cochrane, Patricia Cochrane, Samantha Cockburn, Helen Cockerill, Shirley Cocks, Rhodri Codd, Rachel Codling, Adam Coe, Samantha Coetzee, David Coey, Paul F Cofie, Danielle Cohen, Jonathan Cohen, Oliver Cohen, Mike Cohn, Louise Coke, Nicholas Colbeck, Roghan Colbert, Esther Cole, Jade Cole, Joby Cole, Nicholas Cole, Garry Coleman, Matt Coleman, Holly Coles, Julie Colley, Dawn Collier, Heather Collier, Paul Collini, Emma Collins, Jaimie Collins, Joanne Collins, Nicola Collins, Sally Collins, Vicky Collins, Andrew Collinson, Jennifer Collinson, Madeleine Colmar, Hayley E Colton, James Colton, Katie Colville, Carolyn Colvin, Edward Combes, David Comer, Dónal Concannon, Robin Condliffe, Lynne Connell, Natalie Connell, Gavin Connolly, Emma Connor, Antonia Conroy, Veronica Conteh, Rory Convery, Grainne Conway, Rhiannon Conway, Jo-Anna Conyngham, Eloise Cook, Gemma Cook, Helen Cook, Graham Cooke, Katrina Cooke, Catherine Coombs, Chris Cooper, Jamie Cooper, Joshua Cooper, Lauren Cooper, Rowena Cooper, Sophie Cooper, Thomas Cope, Carolyn Corbett, John Corcoran, Jessica Cordle, Alasdair Corfield, John Corless, Alison Corlett, Pamela Corlett, 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Davies, Michelle Davies, Owen Davies, Patrick Davies, Rachel Davies, Rhys Davies, Ruth Davies, Sarah Davies, Simon Davies, Wendy Davies, Gwyneth Davis, Illinos Davis, Peter Davis, Alexander Davison, Christine Dawe, Danielle Dawson, Elizabeth Dawson, Joy Dawson, Tom Dawson, Andrew Daxter, Andrew Day, Jacob Day, Jeremy Day, Parijat De, Henry de Berker, Duneesha de Fonseka, Toni de Freitas, Frederico de Santana Miranda, Eleanor de Sausmarez, Shanika de Silva, Thushan de Silva, James de Souza, Anthony de Soyza, Natasha de Vere, Johannes de Vos, Bethan Deacon, Sharon Dealing, Anna Dean, Julie Dean, Katrina Dean, Jill Deane, James Dear, Effie Dearden, Catherine Deas, Vashist Deelchand, Matthew Deeley, Joanne Deery, Emmanuel Defever, Manuela Del Forno, Arnold Dela Rosa, Amanda Dell, Marilyn DeLuna, Carrie Demetriou, David DeMets, Jane Democratis, Jacqueline Denham, Emmanuelle Denis, Craig Denmade, Kathy Dent, Martin Dent, Elise Denton, Tom Denwood, Nishigandh Deole, Darshita Depala, Susan Dermody, Amisha Desai, Purav Desai, Sanjeev Deshpande, Vai Deshpande, Sirjana Devkota, Prakash Dey, Vishal Dey, Rogin Deylami, Gurlove K Dhaliwal, Kevin Dhaliwal, Sundip Dhani, Amandeep Dhanoa, Mili Dhar, Sukhjit Dhariwal, Devesh Dhasmana, Ekanjali Dhillon, Reiss Dhillon, Kayleigh Diaz-Pratt, Pamela Dicks, Matthew Dickson, Sean Dillane, Sarah Diment, Paul Dimitri, Alex Dipper, Laura Dirmantaite, Lisa Ditchfield, Sarah Diver, Nandita Divikar, Lavanya Diwakar, Masroor Diwan, Caroline Dixon, Catherine Dixon, Petr Dlouhy, Paul Dmitri, Marinela Dobranszky Oroian, Charlotte Dobson, Lee Dobson, Marie Docherty, Morven Dockery, Emma Docks, James Dodd, Jackie Dodds, Rebecca Dodds, Steve Dodds, Richi Dogra, Erin Doherty, Warren Doherty, Yumiko Doi, Iain Doig, Daniel Dolan, Mark Dolman, Rozzie Dolman, Lisa Donald, Callum Donaldson, Denise Donaldson, Kate Donaldson, Sinead Donlon, Joanne Donnachie, Christopher Donnelly, Eilish Donnelly, Emma Dooks, Andrew Dooley, Kane Dorey, Sharon Dorgan, Davinder Dosanjh, Paula Dospinescu, Andrew Dougherty, Katie Douglas, Lucy Dowden, Michelle Dower, Sud Dowling, Hayley Downe, Nicola Downer, Charlotte Downes, Rob Downes, Thomas Downes, Damian Downey, Louise Downs, Simon Dowson, Cornel Dragan, Cristina Dragos, Chelsea Drake, Victoria Drew, Olivia Drewett, Celine Driscoll, Helena Drogan, Ronald Druyeh, Simon Drysdale, Hazel Dube, Judith Dube, Stephen Duberley, Simon Dubrey, Roger Duckitt, Hayley Duckles-Leech, Nicola Duff, Helen Duffy, Lionel Dufour, Annette Duggan, Parveen Dugh, Janice Duignan, Simon Dummer, Andrew Duncan, Barrie Duncan, Christopher Duncan, Fullerton Duncan, Alessia Dunn, Damian Dunn, Laura Dunn, Karen Dunne, Fiona Dunning, Aidan Dunphy, Venkat Duraiswamy, Beatriz Duran, Ingrid DuRand, Alison Durie, Emily Durie, Laura Durrans, Hannah Durrington, Akshay Dwarakanath, Laasya Dwarakanath, Ellen Dwyer, Claudia Dyball, Harvey Dymond, Tom Dymond, Chris Eades, Melissa Earwaker, Nicholas Easom, Clare East, Jack Easton, Ruth Eatough, Oluwadamilola Ebigbola, Martin Ebon, Sinan Eccles, Chloe Eddings, Michael Eddleston, Maureen Edgar, Katharine Edgerley, Mary Edmondson, Tracy Edmunds, Alexandra Edwards, Andrea Edwards, Catherine Edwards, Joy Edwards, Kennedy Edwards, Mandy Edwards, Steven Edwards, Jenny Eedle, Dawn Egginton, Sarah Eisen, Ugochukwu Ekeowa, Mohamed Ekoi, Ayomide Ekunola, Kate El Bouzidi, Ashley Elden, Jennifer Elder, Haifa Eldew, Diana Eleanor, Maysoon Elfadil, Eman Elfar, Mayy M Elgamal, Amr Elgohary, Stellios Elia, Jennifer Elias, Tania Elias, Nadia Elkaram, Amin Elkhawad, Andrew V Elkins, Julie Ellam, Nikki Ellard, Laura Nicola Ellerton, Amy Elliott, Fiona Elliott, Kerry Elliott, Valmai Elliott, Annie Ellis, Hayley Ellis, Kaytie Ellis, Tak-Yan Ellis, Yvette Ellis, Rahma Elmahdi, Einas Elmahi, Omer Elneima, Mohamed Elokl, Ahmed Elradi, Mohamed Elsaadany, Sally El-Sayeh, Hana El-Sbahi, Tarek Elsefi, Karim El-Shakankery, Sarah Elyoussfi, Jonathan Emberson, John Emberton, Julian Emmanuel, Ingrid Emmerson, Charis Emmett, Michael Emms, Marieke Emonts, Angila Engden, Katy English, Nicola Entwistle, Hene Enyi, Ruth Erin Jones, Agota Ermenyi, Hanif Esmail, Ajmal Eusuf, Brynach Evans, Chris Evans, Debra Evans, Gail Evans, Gareth Evans, Jennifer Evans, Lynn Evans, Melanie Evans, Mim Evans, Morgan Evans, Ranoromanana Evans, Teriann Evans, Terry J Evans, Caroline Everden, Lynsey Evison, Jacqueline Faccenda, Leila Fahel, Youstina Fahmay, Sara Fairbairn, Andy Fairclough, Louise Fairlie, Anne Fajardo, Euan Falconer, John Fallon, David Faluyi, Qayyum Farah, Novin Fard, Amr Farg, Adam Farmer, Katie Farmer, Toni Farmery, Frances Farnworth, Samantha Farnworth, Faiyaz Farook, Hadia Farooq, Sidrah Farooq, Fiona Farquhar, Aaron Farrell, Barbara Farrell, James Farthing, Syeda Farzana, Rahmatu Fasina, Azam Fatemi, Mina Fatemi, Nibah Fatimah, Saul N Faust, Joe Fawke, Sinmidele Fawohunre, Alex Feben, Federico Fedel, Christopher Fegan, Mae Felongco, Lynsey Felton, Tim Felton, Kate Fenlon, Andrea Fenn, Isabelle Fenner, Ciara Fenton, Melisa Fenton, Cameron Ferguson, Jenny Ferguson, Kathryn Ferguson, Katie Ferguson, Lisa Ferguson, Susan Ferguson, Susie Ferguson, Victoria Ferguson, Denzil Fernandes, Candida Fernandez, Eduardo Fernandez, Sonia Fernandez Lopez, Ahmed Feroz, Pietro Ferranti, Thais Ferrari, Catarina Ferreira-De Almeida, Alexandra Ferrera, Emma Ferriman, Nicholas Fethers, Ben Field, Janet Field, Andra Fielding, Julie Fielding, Sarah Fielding, Asma Fikree, Sarah Ann Filson, Joanne Finch, Laurie Finch, Natalie Fineman, Adam Finn, Joanne Finn, Sofia Fiouni, Jo Fiquet, James Fisher, Neil Fisher, Daniel Fishman, Krystofer Fishwick, Marie Fisk, Jan Flaherty, Michael Flanagan, Charles Flanders, Julie Fleming, Lucy Fleming, Paul Fleming, William Flesher, Alison Fletcher, Lucy Fletcher, Sophie Fletcher, Christopher Flood, Jonathan Flor, Vincent Florence, Sharon Floyd, Adama Fofana, Georgina Fogarty, Linda Folkes, Aiwyne Foo, Andrew Foot, Jayne Foot, Jane Forbes, Kathryn Forcer, Jamie Ford, Jennifer Foreman, Caroline Fornolles, Adam Forrest, Ellie Forsey, Thomas Forshall, Elliot Forster, Julian Forton, Emily Foster, Joseph Foster, Rachel A Foster, Tracy Foster, Angela Foulds, Ian Foulds, Folakemi Fowe, Emily Fowler, Robert Fowler, Stephen Fowler, Caroline Fox, Claire Fox, Heather Fox, Jonathan Fox, Lauren Fox, Natalie Fox, Simon Fox, Sarah-Jane Foxton, Rebecca Frake, Alex Francioni, Olesya Francis, Rebecca Francis, Sarah Francis, Theodora Francis-Bacon, Victoria Francois, Sharon Frayling, Martyn Fredlund, Michael Freeborn, Carol Freeman, Elaine Freeman, Hannah Freeman, Nicola Freeman, Clare Freer, Eleanor French, Anastasia Fries, Matthew Frise, Renate Fromson, Claire Froneman, John Frost, Victoria Frost, Rachel Frowd, Arun Fryatt, Bridget Fuller, Elizabeth Fuller, Tracy Fuller, Duncan Fullerton, Sarah Funnell, John Furness, Hassina Furreed, Waqas Gaba, Elizabeth Gabbitas, Claire Gabriel, Joshua Gahir, Katarzyna Gajewska-Knapik, Christopher Gale, Hugo Gale, Swetha Gali, Bernadette Gallagher, Edith Gallagher, Jude Gallagher, William Gallagher, Catherine Galloway, Emma Galloway, Jacqui Galloway, James Galloway, Laura Gamble, Liz Gamble, Brian Gammon, Jaikumar Ganapathi, Ramesh Ganapathy, Kaminiben Gandhi, Sarah Gandhi, Usha Ganesh, Abrar Gani, Iris Garcia Deniz, Antoni D Gardener, Danielle Gardiner, Emma Gardiner, Kirsty Gardiner, Siobhan Gardiner, Caroline Gardiner-Hill, Jonathan Gardner, Mark Garfield, Atul Garg, Nathan Garlick, Lucie Garner, Zoe Garner, Rosaline Garr, Mark Garton, Florence Garty, Rachel Gascoyne, Hyeriju Gashau, Aoife Gatenby, Erin Gaughan, Alok Gaurav, Mariana Gavrila, Jane Gaylard, Emma Gaywood, Catherine Geddie, Sarah Gee, Gemma Genato, Neil Gent, Susan Gent, Natalie Geoghegan, Nithin George, Sam George, Tina George, Simon Georges, Domonique Georgiou, Leigh Gerdes, Louise Germain, Helen Gerrish, Abel Getachew, Hisham Ghanayem, Auns Ghazanfar, Anca Gherman, Alison Ghosh, Arjun Ghosh, Justin Ghosh, Sudhamay Ghosh, Sarra Giannopoulou, Malick Gibani, Ben Gibbison, Kerry Gibbons, Bethan Gibson, Henry Gibson, Kimberley Gibson, Kirsty Gibson, Sian Gibson, Cat Gilbert, Jeanette Gilbert, Kayleigh Gilbert, Benjamin Giles, Mandy Gill, Lynne Gill, Paul Gillen, Annelies Gillesen, Deborah Gilliland, Robert Gillott, Jemma Gilmore, Danielle Gilmour, Kate Gilmour, Theodora Giokanini-Royal, Anna Gipson, Joanna Girling, Rhian Gisby, Angelena Gkioni, Effrossyni Gkrania-Klotsas, Amy Gladwell, James Glanville, Susannah Glasgow, Jon Glass, Lynn Glass, Lisa Gledhill, Ana Glennon, John Glover, Kyle Glover, Jan Glover Bengtsson, Chevanthy Gnanalingam, Julie Goddard, Wendy Goddard, Emily Godden, Jo Godden, Emma Godson, Aiky Goh, Sunita Gohil, Rebeca Goiriz, Sriya Gokaraju, Raphael Goldacre, Arthur Goldsmith, Portia Goldsmith, Darren Gomersall, Lucia Gomez, Raquel Gomez-Marcos, Ali Gondal, Jack Goodall, Bob Goodenough, Camelia Goodwin, Elizabeth Goodwin, Jayne Goodwin, Paula Goodyear, Rajiv Gooentilleke, Michelle Goonasekara, 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Julia Greig, Rebecca Grenfell, Teena Grenier, Susan Grevatt, Glaxy Grey, Andrew Gribbin, Ben Griffin, Denise Griffin, Mel Griffin, Sian Griffith, Andrew Griffiths, Daniel Griffiths, David Griffiths, Donna Griffiths, Isabel Griffiths, Nicola Griffiths, Oliver Griffiths, Sofia Grigoriadou, Steph Grigsby, Russell Gritton, Evelina Grobovaite, Clarissa Grondin, Rachel Groome, Liliana Grosu, Jenny Grounds, Jayne Groves, Neil Grubb, Julie Grundy, Francesca Guarino, Sharada Gudur, Shivang Gulati, Vikas Gulia, Pumali Gunasekera, Kirun Gunganah, Jessica Gunn, Emma Gunter, Alok Gupta, Atul Gupta, Rajeev Gupta, Richa Gupta, Tarun Gupta, Vineet Gupta, Ankur Gupta-Wright, Sambasivarao Gurram, Ishy Gurung, Shraddha Gurung, Hazel Guth, Ruth Habibi, Pamela Hackney, Christian Hacon, Aiman Haddad, Denise Hadfield, Michalis Hadjiandreou, Anna Haestier, Nauman Hafiz, Rana Hafiz-Ur-Rehman, Samantha Hagan, Jack W Hague, Rosemary Hague, Andrew Haigh, Kate Haigh, Christina Haines, Scott Hainey, Morton Hair, Brigid Hairsine, Juraj Hajnik, Anne Haldeos, Carmel Halevy, William Halford, Alistair Hall, Anthony Hall, Chloe Hall, Claire Hall, Emily Hall, Helen Hall, Jennifer Hall, Kathryn Hall, Toni Hall, Jan Hallas, Kyle Hallas, Charles Hallett, Heather Halls, Maryam Hamdollah-Zadeh, Bilal Hameed, Imran Hamid, Mohamad Hamie, Bethany Hamilton, Fergus Hamilton, Leigh Hamilton, Ruth Hamlin, Eleanor Hamlyn, Shirley Hammersley, Kate Hammerton, Bev Hammond, Leah Hammond, Rachel Hammond-Hall, Fiona Hammonds, Nidal Hammoud, Ibrahim Hamoodi, Karen Hampshire, Jude Hampson, Shi Han Lee, Ozan Hanci, James Hand, Soran Handrean, Georgina Hands, Sheharyar Hanif, Amy Hannington, Merhej Hannun, Aidan Hanrath, Jane Hanson, Kathryn Hanson, Mazhar U Haq, Ala Haqiqi, Monjurul Haque, Zoe Harding, Simon Hardman, Kumar Haresh, Rachel Harford, Beverley Hargadon, Carolyn Hargreaves, James Hargreaves, Alice Harin, Mohammed Haris, Helen Harizaj, Edward Harlock, Paula Harman, Tracy Harman, Mark Harmer, Muhammad A Haroon, Charlie H Harper, Heather Harper, Peter Harper, Rosemary Harper, Sarah Harrhy, Sian Harrington, Yasmin Harrington-Davies, Claire Harris, Jade Harris, Julie Harris, Laura Harris, Marie-Clare Harris, Nichola Harris, David Harrison, Laura Harrison, Melanie Harrison, Rowan Harrison, Susie Harrison, Tom Harrison, Wendy Harrison, Elizabeth Harrod, Ciaran Hart, Dominic Hart, Rosemary Hartley, Ruth Hartley, Tom Hartley, William Hartrey, Hans Hartung, Alice Harvey, Angela Harvey, Max Harvey, Catherine Harwood, Helen Harwood, Neda Hasan, Brigitte Haselden, Mohammed Hashimm, Imranullah Hashmi, Zena Haslam, Abdulhakim Hassan, Adil Hassan, Ali Hassan, Waqar Ul Hassan, Philip Hassell, Alex Hastings, Bethany Hastings, Jonathan Hatton, Jennifer Haugh, May Havinden-Williams, Stefan Havlik, Dan Hawcutt, Liz Hawes, Nicola Hawes, Annie Hawkins, Nancy Hawkins, Daniel Hawley, Edward Haworth, Cathy Hay, Jamal Hayat, Anne Hayes, Melony Hayes, Fiona Hayes, Antara Hayman, Melanie Hayman, Matthew Haynes, Richard Haynes, Rachel Hayre, Patrick Haywood, Tracy Hazelton, Phoebe Hazenberg, Zhengmai He, Elizabeth Headon, Carrie Heal, Brendan Healy, Amy Hearn, Angela Heath, Rowan Heath, Diane Heaton, Kerry Hebbron, Neil Hedger, Katrine Hedges, Cheryl Heeley, Elaine Heeney, Rajdeep Heire, David Helm, Ulla Hemmila, Scott Hemphill, Deborah Hemsley, Alistair Henderson, Jennifer Henderson, Steven Henderson, Joanne Henry, Karol Henry, Lavinia Henry, Margo Henry, David Henshall, Gillian Herdman, Rosaleen Herdmangrant, William Herrington, Emilia Heselden, Peta Heslop, Simon Hester, Emily Hetherington, Joseph Hetherington, Andrew Hetreed, Chamila Hettiarachchi, Gihan Hettiarachchi, Hayley Hewer, John Hewertson, Anna Hewetson, Sue Hewins, Claire Hewitt, Davina Hewitt, Richard Hewitt, Robert S Heyderman, Matthis Heydtmann, Joseph Heys, Jonathan Heywood, Meg Hibbert, Naomi Hickey, Alexander Hicks, Jenny Hicks, Scott R Hicks, Daniel Higbee, Jennifer Higgins, Lucy Higgins, Andrew Higham, Martin Highcock, Judith Highgate, Mondy Hikmat, Amanda Hill, Helen Hill, Joanne Hill, Phoebe Hill, Annette Hilldrith, Catherine Hillman-Cooper, Zoe Hilton, Alice Hindmarsh, Paul Hine, Kim Hinshaw, Clare Hird, Jemma Hives, Benson Ho, David Hobden, Gill Hobden, Maria Hobrok, Simon Hobson, Simon Hodge, Lesley Hodgen, Holly Hodgkins, Sally Hodgkinson, David Hodgson, Helen Hodgson, Luke Hodgson, Sheila Hodgson, Gemma Hodkinson, Kenneth Hodson, Matthew Hogben, Lucy Hogg, Lee Hoggett, Abigail Holborow, Becky Holbrook, Catherine Holbrook, Catherine Holden, Jill Holden, Melinda Holden, Thomas Holder, Hannah Holdsworth, Lisa Holland, Maureen Holland, Nicky Holland, Marie Hollands, Elizabeth Holliday, Nina Holling, Nigel Hollister, Laszlo Hollos, Evelyn Holmes, Megan Holmes, Raphael Holmes, Rebecca Holmes, Kelly Holroyd, Lyndsey Holt, Siobhan Holt, Alexandra Holyome, Marie Home, Kate Hong, Andrew Hood, Clare Hooper, Samantha Hope, Susan Hope, Bridget Hopkins, Peter W Horby, Stephanie Horler, Anil Hormis, Rachel Horn, Nicola Hornby, Sophie Horrocks, Latoya Horsford, Megan Horsford, Valana Horsham, Alex Horsley, Ashley Horsley, Elizabeth Horsley, Sarah Horton, Jane Hosea, Toby Hoskins, Ejaz Hossain, Muhammad S Hossain, Rashed Hossain, Maxine Hough, Sarah Hough, Kathryn Houghton, Rebecca Houlihan, Gordon Houston, Hamish Houston, Eleanor Hoverd, Roseanna Hovvels, Lee How, Laura Howaniec, Laura Howard, Linda Howard, Lucy Howard, Sarah Howard, Richard Howard-Griffin, Serena Howe, Mark Howells, Lyn Howie, Alex Howlett, Sophie Howlett, Josh Hrycaiczuk, Desmond Hsu, Hein Htet, Zaw Htet, Naing Z Htoon, Su Htwe, Ying Hu, Abby Huckle, Shahzya Huda, Alison Hudak, Lisa Hudig, Heather Hudson, Alison Hufton, Conor Huggins, Alistair Hughes, Emma Hughes, Gareth Hughes, Heather Hughes, Luke Hughes, Rachel Hughes, Rhian Hughes, Samantha Hughes, Stephen Hughes, Vikki Hughes, Wesley Hughes, Lukas Huhn, Ching Hui, Ruth Hulbert, Diana Hull, Robert Hull, Amanda Hulme, Peter Hulme, Wendy Hulse, George Hulston, Ryan Hum, Charlotte Humphrey, Alasdair Humphries, Joanne Humphries, David Hunt, Fiona Hunt, Jane Hunt, Kristen Hunt, Luke Hunt, Karl Hunter, Neil Hunter, Elizabeth Hurditch, Cian Hurley, Katrina Hurley, Mohammed A Husain, Syeda Y Husaini, Coralie Huson, Ibraar Hussain, Mohammad Hussain, Muhammad Hussain, Reda Hussain, Sajid Hussain, Samia Hussain, Sanniah Hussain, Yasmin Hussain, Mohammed Hussam El-Din, Rebecca Hussey, Christopher Hutchcroft, Camille Hutchinson, Dorothy Hutchinson, Elizabeth Hutchinson, John Hutchinson, Claire Hutsby, Paula Hutton, Daniella Hydes, Jamie Hyde-Wyatt, Niamh Hynes, Megan Hyslop, Ahmed Ibrahim, Asil Ibrahim, Kamal Ibrahim, Mohamed Ibrahim, Wadah Ibrahim, Muhammad Idrees, Hina Iftikhar, Chukwuemeka Igwe, Mohammad Ijaz, Amaju Ikomi, Clare Iles, Stamatina Iliodromiti, Lorna Ilves, La'ali Imam-Gutierrez, Christopher Imray, Haider Imtiaz, Jack Ingham, Julie Ingham, Rory Ingham, Tejas Ingle, Anne Ingram, Luke Ingram, Peter Inns, Ken Inweregbu, Andreea A Ionescu, Ana 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Sabrina Jansz, Deepa Japp, Catherine Jardine, Ellie Jarvie, Rosina Jarvis, Patrycja Jastrzebska, Hafsa Javed, Lona Jawaheer, Dinakaran Jayachandran, Deepak Jayaram, Geeshath Jayasekera, Lalith Jayasekera, Saman Jeddi, Mohammad S Jeelani, Katie Jeffery, Rachel Jeffrey, Nathan Jeffreys, Benjamin Jeffs, Debbie Jegede, Taylor Jemima, Ifan Jenkin, Alison Jenkins, David Jenkins, Elinor Jenkins, Sarah Jenkins, Sian Jenkins, Stephen Jenkins, Edward Jenner, David Jennings, Jacqui Jennings, Louise Jennings, Virginia Jennings, Ellen Jerome, Douglas Jerry, Ellen Jessup-Dunton, Jorge A Jesus Silva, Kishan Jethwa, Abi Jeyabalan, Akhilesh Jha, Shaman Jhanji, Khoo Jian, Zhixin Jiao, Ana Jimenez Gil, Jithin Jith, Teishel Joefield, Navraj Johal, Karine Johannessen, Aisyah Johari, Annie John, Anu John, Emma Johns, Margaret Johns, Antoinette Johnson, Gillian Johnson, Kathryn Johnson, Luke Johnson, Mark Johnson, Claire Johnston, Janet Johnston, Susan Johnston, Victoria Johnston, Dawn Johnstone, Ed 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Caroline V Williams, Claire Williams, Dewi Williams, Felicity Williams, Gail Williams, Hannah Williams, James Williams, Jennie Williams, John Williams, Joseph JR Williams, Karen Williams, Kathryn Williams, Marie Williams, Matthew Williams, Patricia Williams, Penny Williams, Samson Williams, Sarah Williams, Sophie Williams, Tamanna Williams, Annie Williamson, Cath Williamson, Catherine Williamson, Dawn Williamson, James D Williamson, Elizabeth Willis, Emily Willis, Heather Willis, Herika Willis, Joanna Willis, Louise Wills, Lucy Willsher, Francesca Willson, Alison Wilson, Andrea Wilson, Antoinette Wilson, Debbie Wilson, James Wilson, Kate Wilson, Lucinda Wilson, Mark Wilson, Toni Wilson, Tim Wilson, Marlar Win, Tin T Win, Lucinda Winckworth, Laura Winder, Piers Winder, Nicola Window, Simon Winn, Carmen Winpenny, Helen Winslow, Martin Winstanley, Helen Winter, Jonathan Winter, Barbara Winter-Goodwin, Stephen Wisdom, Martin Wiselka, Sophie Wiseman, Steven Wishart, Eric Witele, Nicholas Withers, Janet Wittes, Donna Wixted, Nicola Wolff, Kirsten Wolffsohn, Rebecca Wolf-Roberts, Elena Wolodimeroff, Chi-Hung Wong, Edwin Wong, Jessica SY Wong, Kit Y Wong, Nick Wong, Sam Wong, Caroline Wood, Dianne Wood, Fiona Wood, Hannah Wood, Jennifer Wood, Joe Wood, Lisa Wood, Louise Wood, Michelle Wood, Stephen Wood, Tracy Wood, Katharine Woodall, Rebecca Woodfield, Christopher Woodford, Jill Woodford, Louise Woodhead, Timothy Woodhead, Philip Woodland, Marc Woodman, Jane Woods, Katherine Woods, Sarah Woods, Elizabeth Woodward, Zoe Woodward, Megan Woolcock, Gemma Wooldridge, Rebecca Woolf, Chris Woollard, Louisa Woollen, Emma Woolley, Jade Woolley, Daniel Woosey, Dan Wootton, Joanne Wootton, Stephy Worton, Jonathan Wraight, Lynn Wren, Caroline Wrey Brown, Demi Wright, Francesca Wright, Imogen Wright, Lianne Wright, Rachel Wright, Caroline Wroe, Henry Wu, Peishan Wu, Pensee Wu, Johnathan Wubetu, Retno Wulandari, Kim Wyness, Frederick Wyn-Griffiths, Inez Wynter, Bindhu Xavier, Zhongyang Xia, Masseh Yakubi, May Yan, Michael Yanney, Salima Yasmin, Bryan Yates, David Yates, Edward Yates, Helen Yates, Mark Yates, Charlotte Yearwood Martin, Khin Yein, Robert Yellon, Fiona Yelnoorkar, Peter Yew, Kawai Yip, Laura Ylquimiche Melly, Inez Ynter, Cissy Yong, Jemma Yorke, Abdel Younes Ibrahim, Gail Young, Louise Young, Sajeda Youssouf, Ahmed Yousuf, Chrissie Yu, Bernard Yung, Daniel Yusef, Anna-Sophia Zafar, Silvia Zagalo, Su Zaher, Kareem Zaki, Nabhan Zakir, Kasia Zalewska, Ane Zamalloa, Mohsin Zaman, Shakir Zaman, Julie Zamikula, Louise Zammit, Marie Zammit-Mangion, Ausra Zdanaviciene, Esther Zebracki, Daniel Zehnder, Lisa Zeidan, Xiaobei Zhao, Dongling Zheng, Jane Zhixin, Doreen Zhu, Madiha Zia, Omar Zibdeh, Rabia Zill-E-Huma, Ei T Zin, Vivian Zinyemba, Christos Zipitis, Arkadiusz Zmierczak, Azam Zubir, Naz Zuhra, Rasha Zulaikha, Carol Zullo, Ana Zuriaga-Alvaro, National Institute for Health Research, UK Research and Innovation, University of St Andrews. School of Medicine, Horby, PW, Roddick, A, Spata, E, Staplin, N, Emberson, JR, Pessoa-Amorim, G, Peto, L, Day, J, Thwaites, G, Mafham, M, Haynes, R, and Landray, MJ
Subjects: Male, medicine.medical_treatment, 030204 cardiovascular system & hematology, Azithromycin, ResearchInstitutes_Networks_Beacons/humanitarian_conflict_response_institute, Rate ratio, chemistry.chemical_compound, 0302 clinical medicine, RA0421, Oxygen therapy, RA0421 Public health. Hygiene. Preventive Medicine, 030212 general & internal medicine, Hospital Mortality, 11 Medical and Health Sciences, azithromycin, education.field_of_study, Covid19, clinical trial, General Medicine, 3rd-DAS, Middle Aged, Hospitalization, Survival Rate, Treatment Outcome, Humanitarian and Conflict Response Institute, Female, Life Sciences & Biomedicine, medicine.medical_specialty, RM, Population, COVID-19/drug therapy, Azithromycin/therapeutic use, 03 medical and health sciences, Pharmacotherapy, Tocilizumab, Medicine, General & Internal, SDG 3 - Good Health and Well-being, Internal medicine, General & Internal Medicine, medicine, Humans, education, Survival rate, Mechanical ventilation, Science & Technology, business.industry, COVID-19, NIS, Length of Stay, R1, United Kingdom, COVID-19 Drug Treatment, RM Therapeutics. Pharmacology, RECOVERY Collaborative Group, chemistry, Relative risk, business, RA, Anaesthesia Pain and Critical Care
Abstract: The RECOVERY trial is supported by a grant to the University of Oxford from UK Research and Innovation (Medical Research Council) and NIHR (MC_PC_19056) and by core funding provided by NIHR Oxford Biomedical Research Centre, Wellcome, the Bill & Melinda Gates Foundation, the Department for International Development, Health Data Research UK, the Medical Research Council Population Health Research Unit, the NIHR Health Protection Unit in Emerging and Zoonotic Infections, and NIHR Clinical Trials Unit Support Funding. TJ is supported by a grant from UK Medical Research Council (MC_UU_0002/14) and an NIHR Senior Research Fellowship (NIHR-SRF-2015-08-001). WSL is supported by core funding provided by NIHR Nottingham Biomedical Research Centre. Background: Azithromycin has been proposed as a treatment for COVID-19 on the basis of its immunomodulatory actions. We aimed to evaluate the safety and efficacy of azithromycin in patients admitted to hospital with COVID-19. Methods: In this randomised, controlled, open-label, adaptive platform trial (Randomised Evaluation of COVID-19 Therapy [RECOVERY]), several possible treatments were compared with usual care in patients admitted to hospital with COVID-19 in the UK. The trial is underway at 176 hospitals in the UK. Eligible and consenting patients were randomly allocated to either usual standard of care alone or usual standard of care plus azithromycin 500 mg once per day by mouth or intravenously for 10 days or until discharge (or allocation to one of the other RECOVERY treatment groups). Patients were assigned via web-based simple (unstratified) randomisation with allocation concealment and were twice as likely to be randomly assigned to usual care than to any of the active treatment groups. Participants and local study staff were not masked to the allocated treatment, but all others involved in the trial were masked to the outcome data during the trial. The primary outcome was 28-day all-cause mortality, assessed in the intention-to-treat population. The trial is registered with ISRCTN, 50189673, and ClinicalTrials.gov, NCT04381936. Findings: Between April 7 and Nov 27, 2020, of 16 442 patients enrolled in the RECOVERY trial, 9433 (57%) were eligible and 7763 were included in the assessment of azithromycin. The mean age of these study participants was 65·3 years (SD 15·7) and approximately a third were women (2944 [38%] of 7763). 2582 patients were randomly allocated to receive azithromycin and 5181 patients were randomly allocated to usual care alone. Overall, 561 (22%) patients allocated to azithromycin and 1162 (22%) patients allocated to usual care died within 28 days (rate ratio 0·97, 95% CI 0·87-1·07; p=0·50). No significant difference was seen in duration of hospital stay (median 10 days [IQR 5 to >28] vs 11 days [5 to >28]) or the proportion of patients discharged from hospital alive within 28 days (rate ratio 1·04, 95% CI 0·98-1·10; p=0·19). Among those not on invasive mechanical ventilation at baseline, no significant difference was seen in the proportion meeting the composite endpoint of invasive mechanical ventilation or death (risk ratio 0·95, 95% CI 0·87-1·03; p=0·24). Interpretation: In patients admitted to hospital with COVID-19, azithromycin did not improve survival or other prespecified clinical outcomes. Azithromycin use in patients admitted to hospital with COVID-19 should be restricted to patients in whom there is a clear antimicrobial indication. Publisher PDF
Published: 2021

13. Self-organizing map quality control index

Author: Kittiwachana, Sila, Ferreira, Diana L.S., Fido, Louise A., Thompson, Duncan R., Escott, Richard E.A., and Brereton, Richard G.
Subjects: Quality control -- Methods, Self-organizing systems -- Usage, Chemistry, Analytic -- Research, Quality control, Chemistry
Abstract: A new approach for process monitoring is described, the self-organizing map quality control (SOMQC) index. The basis of the method is that SOM maps are formed from normal operating condition (NOC) samples, using a leave-one-out approach. The distances (or dissimilarities) of the left out sample can be determined to all the units in the map, and the nth percentile measured distance of the left out sample is used to provide a null distribution of NOC distances which is generated using the Hodges--Lehmann method. The nth percentile distance of a test sample to a map generated from all NOC samples can be measured and compared to the null distribution at a given confidence level to determine whether the sample can be judged as out of control. The approach described in this paper is applied to online high-performance liquid chromatography (HPLC) measurements of a continuous pharmaceutical process and is compared to other established methods including Q and D statistics and support vector domain description. The SOMQC has advantages in that there is no requirement for multinormality in the NOC samples, or for linear models, or to perform principal components analysis (PCA) prior to the analysis with concomitant issues about choosing the number of PCs. It also provides information about which variables are important using component planes. The influence of extreme values in the background data set can also be tuned by choosing the distance percentile. 10.1021/ac100383g
Published: 2010

14. Impact of target-material activation on personnel exposure and radioactive contamination in the National Ignition Facility

Author: Khater, H., Epperson, P., Thacker, R., Beale, R., Kohut, T., and Brereton, S.
Subjects: United States. National Ignition Facility & Photon Science Directorate -- Safety and security measures, Beryllium -- Atomic properties, Beryllium -- Electric properties, Copper alloys -- Electric properties, Germanium -- Electric properties, Gold -- Electric properties, Hydrocarbons -- Electric properties, Occupational health and safety -- Management, Company business management, Business, Chemistry, Electronics, Electronics and electrical industries
Published: 2010

15. Supervised self organizing maps for classification and determination of potentially discriminatory variables: illustrated by application to nuclear magnetic resonance metabolomic profiling

Author: Wongravee, Kanet, Lloyd, Gavin R., Silwood, Christopher J., Grootveld, Martin, and Brereton, Richard G.
Subjects: Self-organizing systems -- Research, Mappings (Mathematics) -- Research, Variables (Mathematics) -- Research, Chemistry
Abstract: The article describes the extension of the self organizing maps discrimination index (SOMDI) for cases where there are more than two classes and more than one factor that may influence the group of samples by using supervised SOMs to determine which variables and how many are responsible for the different types of separation. The methods are illustrated by an application in the area of metabolic profiling, consisting of a nuclear magnetic resonance (NMR) data set of 96 samples of human saliva, which is characterized by three factors, namely, whether the sample has been treated or not, 16 donors, and 3 sampling days, differing for each donor. The sampling days can be considered a null factor as they should have no significant influence on the metabolic profile. Methods for supervised SOMs involve including a classifier for organizing the map, and we report a method for optimizing this by using an additional weight that determines the relative importance of the classifier relative to the overall experimental data set in order to avoid overfitting. Supervised SOMs can be obtained for each of the three factors, and we develop a multiclass SOM discrimination index (SOMDI) to determine which variables (or regions of the NMR spectra) are considered significant for each of the three potential factors. By dividing the data itera. lively into training and test sets 100 times, we define variables as significant for a given factor if they have a positive SOMDI in the training set for the factor and class of interest over all iterations. 10.1021/ac9020566
Published: 2010

16. Variable selection using iterative reformulation of training set models for discrimination of samples: application to gas chromatography/mass spectrometry of mouse urinary metabolites

Author: Wongravee, Kanet, Holnrich, Nina, Holmboe, Maria, Schaefer, Michele L., Reed, Randall R., Trevejo, Jose, and Brereton, Richard G.
Subjects: Gas chromatography -- Methods, Mass spectrometry -- Methods, Metabolomics -- Methods, Chemistry
Abstract: The paper discusses variable selection as used in large metabolomic studies, exemplified by mouse urinary gas chromatography of 441 mice in three experiments to detect the influence of age, diet, and stress on their chemosignal. Partial least squares diacriminant analysis (PLS-DA) was applied to obtain class models, using a procedure of 20 000 iterations including the bootstrap for model optimization and random splits into test and training sets for validation. Variables are selected using PLS regression coefficients on the training set using an optimized number of components obtained from the bootstrap. The variables are ranked in order of significance, and the overall optimal variables are selected as those that appear as highly significant over 100 different test and training set splits. Cost/benefit analysis of performing the model on a reduced number of variables is also illustrated. This paper provides a strategy for properly validated methods for determining which variables are most significant for discriminating between two groups in large metabolomic data sets avoiding the common pitfall of overfitting if variables are selected on a combined training and test set and also taking into account that different variables may be selected each time the samples are split into training and test sets using iterative procedures.
Published: 2009

17. HIF pathway activation is a core regulator of collagen structure-function in lung fibrosis

Author: Donna E. Davies, Mark Jones, Robert A. Ridley, Luca Richeldi, Sophie V. Fletcher, Ben G. Marshall, Aiman Alzetani, Yihua Wang, Liudi Yao, Franco Conforti, and Christopher J. Brereton
Subjects: Pyridinoline, Lung, biology, business.industry, Lysyl hydroxylase, Fibrillogenesis, medicine.disease, Fibril, Cell biology, 03 medical and health sciences, chemistry.chemical_compound, Idiopathic pulmonary fibrosis, Hydroxyproline, 0302 clinical medicine, medicine.anatomical_structure, 030228 respiratory system, chemistry, Hypoxia-inducible factors, biology.protein, medicine, 030212 general & internal medicine, business
Abstract: Background: Altered collagen architecture with increased “bone-type” pyridinoline collagen cross-linking, rather than collagen quantity, is a key determinant of abnormal tissue structure-function in Idiopathic Pulmonary Fibrosis (IPF). We recently identified that hypoxia inducible factor (HIF) pathway activation promotes induction of the bone-type collagen cross-linking enzymes lysyl hydroxylase 2 and lysyl oxidase-like 2, yet the consequences of this on collagen structure-function in lung fibrosis remain unknown. Methods: Using a long term 3D in vitro model of the fibroblastic focus we cultured primary lung fibroblasts from IPF donors without or with the HIF-stabilising compound IOX2. Hydroxyproline and mature pyridinium cross-links were measured by colorimetric assays, and collagen ultrastructure assessed by electron microscopy (EM). The biomechanical effects of HIF stabilisation were investigated by parallel plate compression testing. Results: IOX2 stabilised HIF within the 3D fibroblastic focus model, promoting HIF pathway activation to disproportionately induce collagen-modifying enzymes relative to collagen fibril synthesis. After 6 weeks of culture, mature pyridinium cross-links were significantly increased by IOX2 to levels we have previously observed in IPF tissue. Ultrastructural analysis of the collagen fibrils with EM identified that IOX2 significantly reduced fibril diameter to sizes comparable with collagen fibrils enzymatically extracted from IPF tissue. IOX2 induced a greater than 3-fold increase in tissue stiffness. Conclusions: HIF pathway activation is a core regulator of bone-type collagen fibrillogenesis and altered structure-function in lung fibrosis.
Published: 2020

18. Thermodynamic and kinetic hydricity of transition metal hydrides

Author: Nicholas E. Smith, Kelsey R. Brereton, Nilay Hazari, and Alexander J. M. Miller
Subjects: Transition metal, Chemistry, Hydride, Computational chemistry, Solvation, Transition metal hydride, Reactivity (chemistry), General Chemistry, Thermochemical cycle, Heterolysis, Catalysis
Abstract: The prevalence of transition metal-mediated hydride transfer reactions in chemical synthesis, catalysis, and biology has inspired the development of methods for characterizing the reactivity of transition metal hydride complexes. Thermodynamic hydricity represents the free energy required for heterolytic cleavage of the metal–hydride bond to release a free hydride ion, H−, as determined through equilibrium measurements and thermochemical cycles. Kinetic hydricity represents the rate of hydride transfer from one species to another, as measured through kinetic analysis. This tutorial review describes the common methods for experimental and computational determination of thermodynamic and kinetic hydricity, including advice on best practices and precautions to help avoid pitfalls. The influence of solvation on hydricity is emphasized, including opportunities and challenges arising from comparisons across several different solvents. Connections between thermodynamic and kinetic hydricity are discussed, and opportunities for utilizing these connections to rationally improve catalytic processes involving hydride transfer are highlighted.
Published: 2020

19. The microbe-derived short-chain fatty acids butyrate and propionate are associated with protection from chronic GVHD

Author: Eric G. Pamer, Melissa D. Docampo, Christina Cho, Molly Maloy, Justin R. Cross, Eric R. Littmann, Annelie Clurman, David A. Rizzieri, Joao B. Xavier, Lauren Bohannon, Ioannis Politikos, Sean M. Devlin, Sergio Giralt, Ying Taur, Anqi Dai, Gabriel K Armijo, Nelson J. Chao, Katherine B Nichols, Megan Covington, Daniela Weber, Bradford P. Taylor, Ruben J. Ramos, Kate A. Markey, Ann E. Slingerland, Daniel G. Brereton, Antonio L.C. Gomes, Jonas Schluter, Meagan V. Lew, Jonathan U. Peled, Paul A Giardina, Ernst Holler, Marcel R.M. van den Brink, Doris M. Ponce, Miguel-Angel Perales, Amanda J. Pickard, John B. Slingerland, Amy Bush, Arka Rao, and Anthony D. Sung
Subjects: Adult, medicine.medical_specialty, medicine.medical_treatment, Immunology, Graft vs Host Disease, Hematopoietic stem cell transplantation, Butyrate, Ribotyping, Biochemistry, Gastroenterology, Feces, Internal medicine, medicine, Humans, Microbiome, chemistry.chemical_classification, Transplantation, Bacteria, business.industry, Gastrointestinal Microbiome, Hematopoietic Stem Cell Transplantation, Case-control study, Cell Biology, Hematology, Allografts, Kidney Transplantation, Butyrates, surgical procedures, operative, chemistry, Case-Control Studies, Chronic Disease, Cohort, Metabolome, Propionate, Dysbiosis, Diet, Healthy, Propionates, Complication, business
Abstract: Studies of the relationship between the gastrointestinal microbiota and outcomes in allogeneic hematopoietic stem cell transplantation (allo-HCT) have thus far largely focused on early complications, predominantly infection and acute graft-versus-host disease (GVHD). We examined the potential relationship of the microbiome with chronic GVHD (cGVHD) by analyzing stool and plasma samples collected late after allo-HCT using a case-control study design. We found lower circulating concentrations of the microbe-derived short-chain fatty acids (SCFAs) propionate and butyrate in day 100 plasma samples from patients who developed cGVHD, compared with those who remained free of this complication, in the initial case-control cohort of transplant patients and in a further cross-sectional cohort from an independent transplant center. An additional cross-sectional patient cohort from a third transplant center was analyzed; however, serum (rather than plasma) was available, and the differences in SCFAs observed in the plasma samples were not recapitulated. In sum, our findings from the primary case-control cohort and 1 of 2 cross-sectional cohorts explored suggest that the gastrointestinal microbiome may exert immunomodulatory effects in allo-HCT patients at least in part due to control of systemic concentrations of microbe-derived SCFAs.
Published: 2020

20. The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA

Author: Jason A. Wagoner, Andrea Soranno, Jhullian J. Alston, Daniel Griffith, Neha Vithani, Melissa D. Stuchell-Brereton, Alex S. Holehouse, Sukrit Singh, J. Jeremías Incicco, Kathleen B. Hall, Maxwell I. Zimmerman, Michael D. Ward, Jasmine Cubuk, and Gregory R. Bowman
Subjects: 0301 basic medicine, Protein Conformation, viruses, Science, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Protein domain, General Physics and Astronomy, RNA-binding protein, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, General Biochemistry, Genetics and Molecular Biology, Article, Genome packaging, 03 medical and health sciences, Viral genome packaging, Molecular dynamics, Protein structure, Viral life cycle, Single-molecule biophysics, Protein Domains, Transcription (biology), Phase (matter), Computational models, Coronavirus Nucleocapsid Proteins, Binding site, Multidisciplinary, Intrinsically disordered proteins, Binding Sites, Chemistry, SARS-CoV-2, Condensation, RNA, COVID-19, General Chemistry, Phosphoproteins, 0104 chemical sciences, 030104 developmental biology, Biophysics, RNA, Viral, Dimerization
Abstract: The SARS-CoV-2 nucleocapsid (N) protein is an abundant RNA-binding protein critical for viral genome packaging, yet the molecular details that underlie this process are poorly understood. Here we combine single-molecule spectroscopy with all-atom simulations to uncover the molecular details that contribute to N protein function. N protein contains three dynamic disordered regions that house putative transiently-helical binding motifs. The two folded domains interact minimally such that full-length N protein is a flexible and multivalent RNA-binding protein. N protein also undergoes liquid-liquid phase separation when mixed with RNA, and polymer theory predicts that the same multivalent interactions that drive phase separation also engender RNA compaction. We offer a simple symmetry-breaking model that provides a plausible route through which single-genome condensation preferentially occurs over phase separation, suggesting that phase separation offers a convenient macroscopic readout of a key nanoscopic interaction., SARS-CoV-2 nucleocapsid (N) protein is responsible for viral genome packaging. Here the authors employ single-molecule spectroscopy with all-atom simulations to provide the molecular details of N protein and show that it undergoes phase separation with RNA.
Published: 2020

21. Functional insights from biophysical study of TREM2 interactions with ApoE and Aβ1-42

Author: Berevan Baban, Melissa D. Stuchell-Brereton, Colin E. Kluender, Jennifer Alexander-Brett, Daniel L. Kober, Michael R. Strickland, Yuhua Song, Carl Frieden, Deborah F. Steinberg, Hunter B. Dean, David M. Holtzman, Samantha S. Nelson, Erik D. Roberson, and Tom J. Brett
Subjects: 0301 basic medicine, Apolipoprotein E, Epidemiology, Amyloid beta, Lipid-anchored protein, Immune receptor, Cellular and Molecular Neuroscience, 03 medical and health sciences, 0302 clinical medicine, Developmental Neuroscience, medicine, Receptor, Neuroinflammation, 030304 developmental biology, 0303 health sciences, Innate immune system, Microglia, biology, Chemistry, TREM2, Health Policy, Neurodegeneration, medicine.disease, Cell biology, Psychiatry and Mental health, 030104 developmental biology, medicine.anatomical_structure, biology.protein, Neurology (clinical), Geriatrics and Gerontology, 030217 neurology & neurosurgery, Function (biology)
Abstract: INTRODUCTIONTREM2 is an innate immune receptor expressed on myeloid cells including microglia in the brain. How TREM2 engages different ligands remains poorly understood.METHODSWe used comprehensive BLI analysis to investigate the TREM2 interactions with ApoE and monomeric amyloid beta (mAβ42).RESULTSTREM2 binding did not depend on ApoE lipidation, and there were only slight differences in affinity observed between ApoE isoforms (E4 > E3 > E2). Surprisingly, disease-linked TREM2 variants within a “basic patch” minimally impact ApoE binding. Instead, TREM2 has a unique hydrophobic surface that can bind to ApoE. This direct engagement requires the hinge region of ApoE. TREM2 directly binds mAβ42 and can potently inhibit Aβ42 polymerization, suggesting a potential mechanism for soluble TREM2 (sTREM2) in preventing AD pathogenesis.DISCUSSIONThese findings demonstrate that TREM2 has at least two separate surfaces to engage ligands and uncovers a potential function for sTREM2 in directly inhibiting Aβ polymerization.
Published: 2020
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22. Application of dissimilarity indices, principal coordinates analysis, and rank tests to peak tables in metabolomics of the gas chromatography/mass spectrometry of human sweat

Author: Xu, Yun, Gong, Fan, Dixon, Sarah J., Brereton, Richard G., Soini, Helena A., Novotny, Milos V., Oberzaucher, Elisabeth, Grammer, Karl, and Penn, Dustin J.
Subjects: Mass spectrometry -- Usage, Gas chromatography -- Usage, Perspiration -- Properties, Discriminant analysis -- Methods, Factor analysis -- Methods, Metabolomics -- Methods, Chemistry
Abstract: The majority of works in metabolomics employ approaches based on principal components analysis (PCA) and partial least-squares, primarily to determine whether samples rail within large groups. However, analytical chemists rarely tackle the problem of individual fingerprinting, and in order to do this effectively, it is necessary to study a large number of small groups rather than a small number of large groups and different approaches are required, as described in this paper. Furthermore, many metabolomic studies on mammals and humans involve analyzing compounds (of peaks) that are present in only a certain portion of samples, and conventional approaches of PCA do not cope well with sparse matrices where there may be many Os. There is, however, a large number of qualitative similarity measures available for this purpose that can be exploited via principal coordinates analysis (PCO). It can be shown that PCA scores are a specific case of PCO scores, using a quantitative similarity measure. A large-scale study of human sweat consisting of nearly 1000 gas chromatography/mass spectrometry analyses from the sweat of an isolated population of 200 individuals in Carinthia (Southern Austria) sampled once per fortnight over 10 weeks was employed in this study and grouped into families. The first step was to produce a peak table requiring peak detection, alignment, and integration. Peaks were reduced from 5080 to 373 that occurred in at least i individual over 4 out of 5 fortnights. Both qualitative (presence/absence) and quantitative (equivalent to PCA) similarity measures can be computed. PCO and the Kolomorogov-Smirnoff (KS) rank test are applied to these similarity matrices. It is shown that for this data set there is a reproducible individual fingerprint, which is best represented using the qualitative similarity measure as assessed both by the Hotelling [t.sup.2] statistic as applied to PCO scores and the probabilities associated with the KS rank test.
Published: 2007

23. Large-eddy simulation of subsurface phytoplankton dynamics: an optimum condition for chlorophyll patchiness induced by Langmuir circulations

Author: David Lewis, Ashley Brereton, and Joseph Siddons
Subjects: 0106 biological sciences, Langmuir, 010504 meteorology & atmospheric sciences, Ecology, Langmuir Turbulence, 010604 marine biology & hydrobiology, fungi, Dynamics (mechanics), Aquatic Science, Atmospheric sciences, 01 natural sciences, Vertical mixing, chemistry.chemical_compound, chemistry, Chlorophyll, Phytoplankton, Environmental science, Ecology, Evolution, Behavior and Systematics, 0105 earth and related environmental sciences, Large eddy simulation, Wind forcing
Abstract: Phytoplankton patchiness occurs on a plethora of spatial and temporal scales which can be extremely patchy in both horizontal and vertical directions. This patchiness directly affects the dynamics of the overall bloom, so understanding the mechanisms for patchiness to occur on each scale is therefore integral to the understanding of plankton bloom dynamics as a whole. This modelling study aims to introduce a mechanism for patch formations which has had very little exposure, but is ubiquitous to the oceanic mixed layer – patchiness induced by the interaction between the nutrient upwelling and Langmuir circulations. By combining a Large-Eddy Simulation which resolves Langmuir circulations, with a Nutrient-Phytoplankton-Zooplankton biological model, one can examine the horizontal and vertical patchiness which results from a flux of nutrients into the bottom of the mixed layer. Here, phytoplankton form significant horizontal patchiness in a depth interval where vertical currents from Langmuir cells are apparent and turbulent mixing is not; this comprises the lower region of the surface mixed layer. Aggregations have frequently been observed in lower regions of the surface mixed layer and have been attributed to the high nutrient flux associated with the pycnocline. This modelling study also shows patches occurring in this region and it is hypothesised that Langmuir cells are a catalyst for patchiness. The results clearly demonstrate that for certain levels of wind forcing, which are strong enough to introduce turbulent mixing only to the upper part of the mixed layer whilst inducing deeper Langmuir circulation, patchiness is greatly enhanced.
Published: 2018

24. In situ surface sampling of biological objects and preconcentration of their volatiles for chromatographic analysis

Author: Soini, Helena A., Bruce, Kevin E., Klouckova, Iveta, Brereton, Richard G., Penn, Dustin J., and Novotny, Milos V.
Subjects: Gas chromatography -- Analysis, Mass spectrometry -- Analysis, Volatile organic compounds -- Structure, Volatile organic compounds -- Chemical properties, Volatile organic compounds -- Thermal properties, Thermal analysis, Chemistry
Abstract: This report describes a rolling stir bar sampling procedure for volatile organic compounds (VOCs) present on various biological surfaces. In combination with thermal desorption/gas chromatography/mass spectrometry, this analytical technique was initially tested for quantitative profiling of human skin VOCs. It is also applicable to additional hydrophobic surfaces such as agricultural products, plant materials, and bird feathers. Use of embedded internal standards provides highly reproducible and quantitative results for a wide variety of sampled trace components. The samples of collected human skin VOCs and standards were found stable under cool storage conditions for at least 14 days, making this approach suitable for field biological and agricultural studies. Additionally, this methodology appears to have potential for forensic and toxicological investigations, as suggested through the analyses of VOC profiles of the human thumb prints recovered from a nonbiological smooth surface.
Published: 2006

25. Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics

Author: Dominik Rejman, Ian M. Brereton, Lieve Naesens, Luke W. Guddat, Dana Hocková, Tristan I. Croll, Dianne T. Keough, Eva Zborníková, Gregory K. Pierens, Radek Pohl, Marina Chavchich, Michael D. Edstein, and Geoff W. Birrell
Subjects: Models, Molecular, 0301 basic medicine, Hypoxanthine Phosphoribosyltransferase, Protein Conformation, Plasmodium vivax, Chemistry Techniques, Synthetic, Pharmacology, Crystallography, X-Ray, Biochemistry, Pyrrolidine, Antimalarials, 03 medical and health sciences, chemistry.chemical_compound, Catalytic Domain, parasitic diseases, Humans, Transferase, Pentosyltransferases, chemistry.chemical_classification, Diphosphonates, biology, Drug discovery, Escherichia coli Proteins, Plasmodium falciparum, General Medicine, Xanthine, biology.organism_classification, 030104 developmental biology, Enzyme, chemistry, Hypoxanthine-guanine phosphoribosyltransferase, Drug Design, Molecular Medicine
Abstract: Plasmodium falciparum (Pf) and Plasmodium vivax (Pv) are the foremost causative agents of malaria. Due to the development of resistance to current antimalarial medications, new drugs for this parasitic disease need to be discovered. The activity of hypoxanthine-guanine-[xanthine]-phosphoribosyltransferase, HG[X]PRT, is reported to be essential for the growth of both of these parasites, making it an excellent target for antimalarial drug discovery. Here, we have used rational structure-based methods to design an inhibitor, [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine, of PvHGPRT and PfHGXPRT that has Ki values of 8 and 7 nM, respectively, for these two enzymes. The crystal structure of PvHGPRT in complex with this compound has been determined to 2.85 A resolution. The corresponding complex with human HGPRT was also obtained to allow a direct comparison of the binding modes of this compound with the two enzymes. The tetra-(ethyl l-phenylalanine) tetraamide ...
Published: 2017

26. Component detection weighted index of analogy: similarity recognition on liquid chromatographic mass spectral data for the characterization of route/process specific impurities in pharmaceutical tablets

Author: Zomer, Simeone, Brereton, Richard G., Wolff, Jean-Claude, Airiau, Christian Y., and Smallwood, Caroline
Subjects: Mass spectrometry -- Research, Chemistry, Analytic -- Research, Drugs -- Research, Liquid chromatography -- Research, Chemistry
Abstract: Detection and identification of impurities in pharmaceuticals is an essential task for determining the possible infringement of a patent. This article reports a multivariate analysis method to distinguish between tablets of the same substance on the basis of their origin, by characterizing route/process specific impurities via diagnostic ion chromatograms, using liquid chromatography/mass spectrometry (LC/MS). The approach is based on the formulation of a novel index that quantifies the similarity between LC/ MS samples, named the component detection weighted index of analogy. The index estimates similarity by fully exploiting the two-dimensional nature of the data, where the relative contribution of chromatograms relates to their quality and noise level. Results show that well-defined clusters are formed according to the origin of tablets; a series of ions are identified as characterizing each class and can be used to predict the origin of unknown tablet samples. The method presented is designed for analysis of larger data sets and can be suitable for exploratory analysis where any a priori knowledge on the data is scarce or absent, hence requiring the acquisition of chromatograms in a broad m/z range.
Published: 2005

27. Site-directed mutagenesis of dimethyl sulfoxide reductase from Rhodobacter capsulatus: characterization of a Y114 (approaches) F mutant

Author: Ridge, Justin P., Aguey-Zinsou, Kondo-Francois, Bernhardt, Paul V., Brereton, Ian M., Hanson, Graeme R., and McEwan, Alastair G.
Subjects: Biochemistry -- Research, Gene expression -- Physiological aspects, Mutagenesis -- Analysis, Dimethyl sulfoxide -- Physiological aspects, Gene mutations -- Analysis, Biological sciences, Chemistry
Abstract: Research has been conducted on dimethyl sulfoxide reductase from Rhodobacter capsulatus. The construction of the system used for expression site-directed mutants of this reductase in the natural host in order to generate and express dimethyl sulfoxide reductase with Y114F mutantion is described.
Published: 2002

28. A solution NMR molecular model for the aspartate-ligated, cubane cluster containing ferredoxin from the hyperthermophilic archaeon Pyrococcus furiosus

Author: Sham, Simon, Calzolai, Luigi, Wang, Peng-Liang, Bren, Kara, Haarklau, Halvard, Brereton, Philip S., Adams, Michael W. W., and La Mar, Gerd N.
Subjects: Biochemistry -- Research, Solution (Chemistry) -- Physiological aspects, Nuclear magnetic resonance -- Usage, Aspartate -- Physiological aspects, Bacteria -- Physiological aspects, Biological sciences, Chemistry
Abstract: Research has been conducted on Pyrococcus furiosus ferredoxin with the disulfide bond. The solution molecular model of this ferredoxin constructed via the use of NMR spectral parameters, distance geometry and simulated annealing protocols is described.
Published: 2002

29. Solution NMR characterization of the themodynamics of the disulfide bond orientational isomerism and its effect of cluster electronic properties for the hyperthemostable three-iron cluster ferredoxin from the Archaeon Pyrococcus furiosus

Author: da silva, Mateus Webba, Sham, Simon, Gorst, Carol M., Calzolai, Luigi, Brereton, Philip S., Adams, Michael W.W., and La Mar, Gerd N.
Subjects: Bacterial proteins -- Research, Proteins -- Structure, Structure-activity relationships (Biochemistry) -- Analysis, Spectrum analysis -- Research, Biological sciences, Chemistry
Abstract: Structural heterogeneity of Pyrococcus furiosus ferredoxin is investigated with reference to ferredoxin's functional relevance at the physiological temperature of over 100 C. The Cys21-Cys48 disulfide orientation influences spin coupling of the iron ligated to Cys17 as revealed by (sup)1H nuclear magnetic resonance spectroscopy.
Published: 2001

30. Probing the Stoichiometry and Oxidation States of Metal Centers in Iron-Sulfur Proteins Using Electrospray FTICR Mass Spectrometry

Author: Johnson, Keith A., Verhagen, Marc F.J.M., Brereton, Phillip S., Adams, Michael W.W., and Amster, I. Jonathan
Subjects: Oxidation-reduction reaction -- Research, Mass spectrometry -- Usage, Metalloproteins -- Research, Chemistry
Abstract: Electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry is used to determine the stoichiometry and oxidation states of the metal centers in several iron-sulfur proteins. Samples are introduced into the ESI source under nondenaturing conditions in order to observe intact metal-containing protein ions. The stoichiometry and oxidation state of the metal or metal-sulfur cluster in the protein ion can be derived from the mass spectrum. Mononuclear metal-containing proteins and [4Fe-4S] centers are very stable and yield the molecular ion with little or no fragmentation. Proteins that contain [2Fe-2S] clusters are less stable and yield loss of one or two sulfur atoms from the molecular species, although the molecular ion is more abundant than the fragment peaks. [3Fe-4S]-containing proteins are the least stable of the species investigated, yielding abundant peaks corresponding to the loss of one to four sulfur atoms in addition to a peak representing the molecular ion. Isotope labeling experiments show that the sulfur loss originates from the [3Fe-4S] center. Negative ion mode mass spectra were obtained and found to produce much more stable [3Fe-4S]-containing ions than obtained in positive ion mode. ESI analysis of the same proteins under denaturing conditions yields mass spectra of the apo form of the proteins. Disulfide bonds are observed in the apoprotein mass spectra that are not present in the holoprotein. These result from oxidative coupling of the cysteinyl sulfur atoms that are responsible for binding the metal center. In addition, inorganic sulfide is found to incorporate itself into the apoprotein by forming sulfur bridges between cysteine residues.
Published: 2000

31. Synthesis, spectroscopy, and crystallography of mononuclear, five-coordinate aluminum complexes that act as cyclic ester polymerization initiators

Author: Arnold L. Rheingold, Kelsey R. Brereton, Amanda E. Stahl, Angela M. Longo, Joseph M. Fritsch, David B. Green, Alexandria M. McCollum, Abigail S. Butler, and Thomas R. Cundari
Subjects: Lactide, Schiff base, 010405 organic chemistry, Dimer, Substituent, Fluorine-19 NMR, Nuclear magnetic resonance spectroscopy, 010402 general chemistry, Condensation reaction, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, Polymerization, Materials Chemistry, Physical and Theoretical Chemistry
Abstract: Three ketoimines with pendant quinolyl moieties and a series of five-coordinate ketoiminate aluminum complexes were prepared and characterized spectroscopically and crystallographically. The synthesis of the ketoimines completed a series of ten regioisomers for which the product ratio varied between the product resulting from quinoline addition adjacent to the alkyl/aryl group or adjacent to the trifluoromethyl substituent. Quantitation of the ketoimine regioisomer ratios with 19F NMR demonstrated the role of steric encumbrance in the nucleophilic attack mechanistic step of the Schiff base condensation reaction and was further supported by linear free energy relationships with the Charton steric parameter and DFT calculations. Eight five-coordinate aluminum complexes were prepared in 57–92% yield from ketoimines and tris(2,6-dimethylphenoxide) aluminum dimer and characterized with 1H, 13C, 19F, and 27Al nuclear magnetic resonance spectroscopy, UV–visible absorbance spectroscopy, elemental analysis, and single-crystal X-ray crystallography. These mononuclear complexes differ from previously reported aluminum ion-pair complexes due to the symmetric cleavage of tris-dimethylphenoxide aluminum dimer by THF and were shown to have distorted trigonal bipyramidal coordination geometries (τ5 = 0.73–0.89). In a preliminary study, the aluminum complexes were demonstrated to be effective initiators for ring-opening polymerization of e-caprolactone (eCL) to poly-caprolactone (PCL) and l -lactide (LA) to poly-lactic acid (PLA), reaching 77–99% conversion in 2 h for eCL and 10 h for LA at 100 °C.
Published: 2021

32. Effects of mutations in aspartate 14 on the spectroscopic properties of the (Fe3S4)(super +,0) clusters in Pyrococcus furiosus ferredoxin

Author: Duderstadt, Randall E., Staples, Christopher R., Brereton, Phillip S., Adams, Michael W.W., and Johnnson, Michael K.
Subjects: Aspartate aminotransferase -- Research, Gene mutations -- Research, Bacterial proteins -- Genetic aspects, Biological sciences, Chemistry
Abstract: Combined electron paramagnetic resonance, variable-temperature magnetic circular dichroism and resonance Raman spectroscopies were used to examine the properties of (Fe3S4)(super +,0) clusters in wild-type and mutant forms of Pyrococcus furiosus ferredoxin with Asp, Ser, Cys, Val, His, Asn and Tyr residues occupying position 14. Results indicate that the behavior of the residue at position 14 in P. furiosus ferredoxin is an important determinant of the location of the reducible pair of irons in a (Fe3S4)(super +,0) cluster.
Published: 1999

33. A tabu-search based strategy for modeling molecular aggregates and binary reactions

Author: Suzanne R. McAnanama-Brereton, Mark P. Waller, Anakuthil Anoop, and Surajit Nandi
Subjects: 010304 chemical physics, Chemistry, Binary number, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, Chemical reaction, Tabu search, 0104 chemical sciences, Set (abstract data type), Maxima and minima, 0103 physical sciences, Potential energy surface, Degree of similarity, Physical and Theoretical Chemistry, Biological system, Global optimization
Abstract: Modern day computational chemistry is moving towards studying complex chemical systems, and global optimization algorithms are becoming increasingly important in successfully carrying out such studies. Herein, we report on a simple tabu-based strategy that generates sufficiently dissimilar trial structures for subsequent optimization, in which the minimum degree of similarity between initial trial structures is a user-definable parameter. This versatile tabu-based strategy was implemented for modeling aggregation as well as chemical reactions. The method was validated on molecular aggregates of water, CO2, and acetic acid, and was successful in finding the global minima and several of the important low-lying minima on the potential energy surface. This strategy was further extended to the efficient generation of trial geometries as applied to chemical reactions, and was validated by predicting the products of binary reactions using a set of 10 Diels-Alder reactions in the gas-phase. After the successful validation, our method was applied to the prediction of various products of Diels-Alder reactions on graphene models.
Published: 2017

34. Magnetic resonance spin-spin relaxation time estimation in a rat model of fatty liver disease

Author: Gary Cowin, Sami Alghamdi, Yasvir A. Tesiram, Ian M. Brereton, and Benjamin Sinclair
Subjects: medicine.diagnostic_test, Chemistry, Relaxation (NMR), Rat model, Fatty liver, Magnetic resonance imaging, medicine.disease, 030218 nuclear medicine & medical imaging, Spin-Spin Relaxation Time, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Nuclear magnetic resonance, medicine, Spin echo, Choline, Radiology, Nuclear Medicine and imaging, Akaike information criterion, 030217 neurology & neurosurgery
Abstract: Purpose To compare mono- and bi-exponential relaxation model equations to discriminate between normal and fatty liver disease. Materials and Methods Six rats on a choline deficient amino acid modified (CDAA) diet and six on normal chow were studied. Multiple spin echo images with increasing echo times (TEs) were collected at 9.4T. Pixel-wise T2 maps were generated using mono-exponential decay function to calculate T2M, and a bi-exponential to calculate, short T2 component (T2S), long T2 component (T2L), and fractions of these components (ρS, ρL), respectively. Statistical F-tests and Akaike's information criterion (AIC) were used to assess the relative performance of the two models. Results F-test and AIC showed that in the CDAA group, T2 bi-exponential model described the signal of T2 weighted imaging of the liver better than the mono-exponential model. Controls were best described by the mono-exponential model. Mean values for T2M, T2L, T2S, ρS, ρL were 31.2 ± 0.7 ms, 72.8 ± 3.3 ms, 8.2 ± 0.6 ms,71.2 ± 2.1%, 30.4 ± 1.3%, respectively, in CDAA rats, compared with 18.8 ± 0.5 ms, 32.3 ± 0.7 ms, 9.2 ± 1.8 ms, 79 ± 2%, 21.0 ± 1.1% in controls. Conclusion In the fatty liver of CDAA rats we have shown that T2 weighted images fit the bi-exponential model better than mono-exponential decays thus providing a better description of the data. Level of Evidence: 1 Technical Efficacy: Stage 2 J. Magn. Reson. Imaging 2018;47:468–476.
Published: 2017

35. Aqueous Hydricity from Calculations of Reduction Potential and Acidity in Water

Author: Sarina M. Bellows, Alexander J. M. Miller, Thomas R. Cundari, Robert M. Adams, Antonio A. Lopez, William D. Jones, Hengameh Fallah, and Kelsey R. Brereton
Subjects: Aqueous solution, 010405 organic chemistry, Hydride, Inorganic chemistry, chemistry.chemical_element, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Metal, Deprotonation, chemistry, Transition metal, visual_art, Materials Chemistry, visual_art.visual_art_medium, Reactivity (chemistry), Iridium, Physical and Theoretical Chemistry, Thermochemical cycle
Abstract: Hydricity, or hydride donating ability, is a thermodynamic value that helps define the reactivity of transition metal hydrides. To avoid some of the challenges of experimental hydricity measurements in water, a computational method for the determination of aqueous hydricity values has been developed. With a thermochemical cycle involving deprotonation of the metal hydride (pKa), 2e– oxidation of the metal (E°), and 2e– reduction of the proton, hydricity values are provided along with other valuable thermodynamic information. The impact of empirical corrections (for example, calibrating reduction potentials with 2e– organic versus 1e– inorganic potentials) was assessed in the calculation of the reduction potentials, acidities, and hydricities of a series of iridium hydride complexes. Calculated hydricities are consistent with electronic trends and agree well with experimental values.
Published: 2016

36. Structure of Caribbean ciguatoxin isolated from Caranx latus

Author: Lewis, Richard J., Vernoux, Jean-Paul, and Brereton, Ian M.
Subjects: Ciguatoxin -- Research, Nuclear magnetic resonance -- Research, Chemistry
Abstract: The structure of a Caribbean ciguatoxin (C-CTX-1), a substance causing the disease ciguatera, is described, using nuclear magnetic resonance. C-CTX-1 approximates the structural properties of the Pacific ciguatoxin except for the absence of aliphatic side chain seen on ring A and the presence of a longer contiguous carbon backbone. Aside from the single hydroxyl present in the C-CTX-1 which allows selective addition of cross-linkers or labels, the compound is also composed of 57-carbon skeletons, 14 rings, three double bonds, five methyls and five hydroxyls.
Published: 1998

37. Effect of iron-sulfur cluster environment in modulating the thermodynamic properties and biological function of ferredoxin from Pyrococcus furiosus

Author: Brereton, Phillip S., Verhagen, Marc F.J.M., Zhou, Zhi H., and Adams, Michael W.W.
Subjects: Oxidation-reduction reaction -- Research, Proteins -- Research, Electron transport -- Research, Biological sciences, Chemistry
Abstract: A study was conducted to examine the molecular determinants of redox potential and the function of the protein towards the electron transfer between ferredoxins and its redox partners using the Fd from the hyperthermophilic archaeon Pyrococcus furiosus. The reduction potentials of ferredoxins were analyzed by direct electrochemistry. Results showed that POR specific activity was inversely correlated with increases in pyruvate oxidoreductase concentration in the assay medium.
Published: 1998

38. Calcium is essential for the structural integrity of the cysteine-rich, ligand-binding repeat of the low-density lipoprotein receptor

Author: Atkins, Annette R., Brereton, Ian M., Kroon, Paulus A., Lee, Huang T., and Smith, Ross
Subjects: Lipoproteins -- Research, Ligands -- Analysis, Calcium -- Analysis, Cysteine -- Analysis, Immunospecificity -- Analysis, Circular dichroism -- Measurement, Oxidation-reduction reaction -- Measurement, Biological sciences, Chemistry
Abstract: The importance of calcium ions for the structural integrity of the cysteine-rich, ligand-binding repeat of the low-density lipoprotein receptor was shown through circular dichroism, nuclear magnetic resonance and oxidation studies. The results suggested the specificity of the ion-binding region in the first repeat for calcium. Analysis of the pH titration graphs for the acidic amino acids further indicated that certain residues may be involved in the calcium coordination.
Published: 1998

39. Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H2 Evolution Catalyst

Author: Alexander J. M. Miller, Kelsey R. Brereton, Catherine L. Pitman, and Thomas R. Cundari
Subjects: 010405 organic chemistry, Hydride, chemistry.chemical_element, 010402 general chemistry, Photochemistry, 01 natural sciences, 0104 chemical sciences, Catalysis, Ruthenium, Inorganic Chemistry, chemistry.chemical_compound, chemistry, Thermochemistry, Physical chemistry, Reactivity (chemistry), Density functional theory, Iridium, Physical and Theoretical Chemistry, Acetonitrile
Abstract: The hydricity of the heterobimetallic iridium/ruthenium catalyst [Cp*Ir(H)(μ-bpm)Ru(bpy)2]3+ (1, where Cp* = η5-pentamethylcyclopentadienyl, bpm = 2,2′-bipyrimidine, and bpy = 2,2′-bipyridine) has been determined in both acetonitrile (63.1 kcal mol–1) and water (29.7 kcal mol–1). Hydride 1 features a large increase in the hydride donor ability when the solvent is changed from acetonitrile to water. The acidity of 1, in contrast, is essentially solvent-independent because 1 remains strongly acidic in both solvents. On the basis of an X-ray crystallographic study, spectroscopic analysis, and time-dependent density functional theory calculations, the disparate reactivity trends are ascribed to substantial delocalization of the electron density onto both the bpm and bpy ligands in the conjugate base of 1, [Cp*Ir(μ-bpm)Ru(bpy)2]2+ (3). The H2 evolution tendencies of 1 are considered in the context of thermodynamic parameters.
Published: 2016

40. A TCD-based technique for experimental study of mass transfer in a gas–solid fluidized bed with liquid injection

Author: Mike Wormsbecker, Clive Brereton, John R. Grace, Xuantian Li, Ali Gulamhusein, Anwu Li, Xiaotao Bi, Craig A. McKnight, and C. Jim Lim
Subjects: Heptane, Work (thermodynamics), Chemistry, General Chemical Engineering, Analytical chemistry, Fraction (chemistry), 02 engineering and technology, 021001 nanoscience & nanotechnology, chemistry.chemical_compound, Thermal conductivity, 020401 chemical engineering, Paraffin wax, Fluidized bed, Mass transfer, Fluidization, 0204 chemical engineering, 0210 nano-technology
Abstract: A technique using the measurement of gas phase concentrations for the study of mass transfer in gas–solid fluidized beds has been developed. This method uses thermal conductivity detectors (TCDs) to measure local concentrations of a gaseous species as it evolves from a continuously sprayed binary liquid into the system. The binary liquid, a mixture of paraffin wax and n -heptane, was chosen to be a low temperature analogue of bitumen, which is thermally converted into lighter liquid products using the FLUID COKING™ process. In both the commercialized process and the low temperature analogue, the volatile fraction of the liquid feed is released into the gas phase, while the heavy components remain in the bed and eventually solidify. The n -heptane vapor concentration was continuously measured using three TCDs, sampling from different locations in a 4-m tall, 0.4 m × 0.1 m fluidization column. By varying operating conditions such as the superficial gas velocity, bed temperature, and air-to-liquid ratio, the present work successfully demonstrated the ability to measure changes in mass transfer conditions in a fluidized bed continuously and accurately with fast response.
Published: 2016

41. On the reliability of peptide nonplanarity seen in ultra-high resolution crystal structures

Author: P. Andrew Karplus and Andrew E. Brereton
Subjects: 0301 basic medicine, Diffraction, Electron density, Chemistry, Resolution (electron density), Biochemistry, Planarity testing, Standard deviation, Computational physics, 03 medical and health sciences, Crystallography, 030104 developmental biology, 0302 clinical medicine, Protein structure, Planar, Protein crystallization, Molecular Biology, 030217 neurology & neurosurgery
Abstract: Ultra-high resolution protein crystal structures have been considered as relatively reliable sources for defining details of protein geometry, such as the extent to which the peptide unit deviates from planarity. Chellapa and Rose (Proteins 2015; 83:1687) recently called this into question, reporting that for a dozen representative protein structures determined at ∼ 1 A resolution, the diffraction data could be equally well fit with models restrained to have highly planar peptides, i.e. having a standard deviation of the ω torsion angles of only ∼ 1° instead of the typically observed value of ∼ 6°. Here, we document both conceptual and practical shortcomings of that study and show that the more tightly restrained models are demonstrably incorrect and do not fit the diffraction data equally well. We emphasize the importance of inspecting electron density maps when investigating the agreement between a model and its experimental data. Overall, this report reinforces that modern standard refinement protocols have been well-conceived and that ultra-high resolution protein crystal structures, when evaluated carefully and used with an awareness of their levels of coordinate uncertainty, are powerful sources of information for providing reliable information about the details of protein geometry.
Published: 2016

42. Aqueous Hydricity of Late Metal Catalysts as a Continuum Tuned by Ligands and the Medium

Author: Kelsey R. Brereton, Catherine L. Pitman, and Alexander J. M. Miller
Subjects: Inorganic chemistry, 010402 general chemistry, Iridium, Ligands, 7. Clean energy, 01 natural sciences, Biochemistry, Redox, Article, Catalysis, Ruthenium, Colloid and Surface Chemistry, Organometallic Compounds, Metal catalyst, Aqueous solution, Molecular Structure, 010405 organic chemistry, Hydride, Chemistry, Spectrophotometric titration, Water, General Chemistry, 0104 chemical sciences, Transition metal hydride, Thermodynamics
Abstract: Aqueous hydride transfer is a fundamental step in emerging alternative energy transformations such as H2 evolution and CO2 reduction. "Hydricity," the hydride donor ability of a species, is a key metric for understanding transition metal hydride reactivity, but comprehensive studies of aqueous hydricity are scarce. An extensive and self-consistent aqueous hydricity scale is constructed for a family of Ru and Ir hydrides that are key intermediates in aqueous catalysis. A reference hydricity is determined using redox potentiometry and spectrophotometric titration for a particularly water-soluble species. Then, relative hydricity values for a range of species are measured using hydride transfer equilibria, taking advantage of expedient new synthetic procedures for Ru and Ir hydrides. This large collection of hydricity values provides the most comprehensive picture so far of how ligands impact hydricity in water. Strikingly, we also find that hydricity can be viewed as a continuum in water: the free energy of hydride transfer changes with pH, buffer composition, and salts present in solution.
Published: 2016

43. Correction to 'Thermodynamic Hydricity across Solvents: Subtle Electronic Effects and Striking Ligation Effects in Iridium Hydrides'

Author: Kelsey R. Brereton, Caleb N. Jadrich, Alexander J. M. Miller, and Bethany M. Stratakes
Subjects: Inorganic Chemistry, Chemistry, Organic Chemistry, Electronic effect, chemistry.chemical_element, Iridium, Physical and Theoretical Chemistry, Photochemistry, Ligation
Published: 2020

44. Single-Molecule Fluorescence Spectroscopy of Non-Lipidated Forms of Apolipoprotein E

Author: Melissa D. Stuchell-Brereton, Logan Calderone, Andrea Soranno, Greg Dekoster, Carl Frieden, Berevan Baban, and Jasmine Cubuk
Subjects: Apolipoprotein E, Chemistry, Biophysics, Single-molecule experiment, Spectroscopy
Published: 2020

45. Safety and tolerability of nintedanib for the treatment of idiopathic pulmonary fibrosis in routine UK clinical practice

Author: Vanessa Titmuss, Rachel K. Hoyles, Felix Chua, Christopher J. Brereton, Lisa G. Spencer, Helen Parfrey, Sophie V. Fletcher, Muhunthan Thillai, Nicola Simler, A Kwok, Katherine Spinks, Athol U. Wells, Elizabeth Renzoni, Maria Kokosi, Luca Richeldi, Mark Jones, Chris Warburton, and Toby M. Maher
Subjects: Pulmonary and Respiratory Medicine, medicine.medical_specialty, MEDLINE, lcsh:Medicine, 03 medical and health sciences, chemistry.chemical_compound, Idiopathic pulmonary fibrosis, 0302 clinical medicine, Internal medicine, Medicine, In patient, Lung volumes, 030212 general & internal medicine, business.industry, Original Research Letters, lcsh:R, respiratory system, medicine.disease, respiratory tract diseases, Clinical Practice, 030228 respiratory system, Tolerability, chemistry, Nintedanib, business
Abstract: Nintedanib, a tyrosine kinase inhibitor approved for the treatment of idiopathic pulmonary fibrosis (IPF), reduces annual forced vital capacity (FVC) decline in these patients by ∼50% with combined analysis of data from clinical trials showing a trend towards reduction in mortality [1–3]. Nintedanib prescription criteria for the treatment of IPF vary between countries and in 2016, the National Institute for Health and Care Excellence approved nintedanib in England and Wales for patients with an FVC between 50% and 80% predicted [4]. Prior to this approval, nintedanib was available through a manufacturer-funded programme with varying prescribing criteria. We investigated the safety and tolerability of nintedanib in UK clinical practice during this period in which FVC prescription criteria differed from those now available in routine practice., In IPF, commencement of antifibrotic therapy in patients with preserved lung volume may increase the duration of therapy http://ow.ly/4HeM30lFS67
Published: 2018

46. Author response: Nanoscale dysregulation of collagen structure-function disrupts mechano-homeostasis and mediates pulmonary fibrosis

Author: Martin Kolb, Peter Johnson, Mark Jones, Orestis G. Andriotis, Christian H. Ottensmeier, James Roberts, Lucy Cao, Serena J Chee, Alessandra Bonfanti, Ben G. Marshall, Regan Doherty, Benjamin Johnson, David E. Smart, Donna E. Davies, Atul Bhaskar, Philipp J. Thurner, Franco Conforti, Chester Lai, Aiman Alzetani, Victoria Tear, Kjetil Ask, Wolfgang Jarolimek, Aurelie Fabre, Christopher J. Brereton, Konstantinos N. Bourdakos, Jack Gauldie, Kerry Lunn, Luca Richeldi, Katherine M.A. O'Reilly, Sumeet Mahajan, Sophie V. Fletcher, Sanjay Jogai, Patricia J. Sime, and Phillip Monk
Subjects: 0301 basic medicine, 03 medical and health sciences, 030104 developmental biology, Chemistry, Pulmonary fibrosis, Structure function, medicine, medicine.disease, Homeostasis, Cell biology
Published: 2018

47. Bathochromic Shifts in Rhenium Carbonyl Dyes Induced through Destabilization of Occupied Orbitals

Author: Greg A. N. Felton, Daniel A. Kurtz, Jillian L. Dempsey, Hui Min Tang, Kelsey R. Brereton, Kevin P. Ruoff, and Alexander J. M. Miller
Subjects: 010405 organic chemistry, Ligand, Trimethylphosphine, chemistry.chemical_element, Electronic structure, Rhenium, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, Bathochromic shift, Density functional theory, Physical and Theoretical Chemistry, Acetonitrile, Diimine
Abstract: A series of rhenium diimine carbonyl complexes was prepared and characterized in order to examine the influence of axial ligands on electronic structure. Systematic substitution of the axial carbonyl and acetonitrile ligands of [Re(deeb)(CO)3(NCCH3)]+ (deeb = 4,4′-diethylester-2,2′-bipyridine) with trimethylphosphine and chloride, respectively, gives rise to red-shifted absorbance features. These bathochromic shifts result from destabilization of the occupied d-orbitals involved in metal-to-ligand charge-transfer transitions. Time-Dependent Density Functional Theory identified the orbitals involved in each transition and provided support for the changes in orbital energies induced by ligand substitution.
Published: 2018

48. Spin coherence as a function of depth for high-density ensembles of silicon vacancies in proton-irradiated 4H-SiC

Author: Samuel G. Carter, Peter Brereton, J. Vanhoy, D. Puent, and Evan R. Glaser
Subjects: Fabrication, Materials science, Silicon, Physics::Instrumentation and Detectors, Dephasing, chemistry.chemical_element, FOS: Physical sciences, 02 engineering and technology, engineering.material, 01 natural sciences, Condensed Matter::Materials Science, chemistry.chemical_compound, Vacancy defect, 0103 physical sciences, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), Materials Chemistry, Silicon carbide, 010306 general physics, Condensed Matter - Mesoscale and Nanoscale Physics, Condensed matter physics, business.industry, Diamond, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Semiconductor, chemistry, Qubit, engineering, 0210 nano-technology, business
Abstract: Defects in wide-bandgap semiconductors provide a pathway for applications in quantum information and sensing in solid state materials. The silicon vacancy in silicon carbide has recently emerged as a new candidate for optical control of single spin qubit with significant material benefits over nitrogen vacancies in diamond. In this work, we present a study of the coherence of silicon vacancies generated via proton irradiation as a function of implantation depth. We show clear evidence of dephasing interactions between the silicon vacancies and the spin environment of the bulk crystal. This result will inform further routes toward fabrication of scalable silicon carbide devices and studies of spin interactions of in high-density ensembles of defects., Comment: 5 pages, 3 figures
Published: 2018
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49. Electrolytic Salt Splitting for Sulfuric Acid and Caustic Recovery: Can It Be Cost-Effective?

Author: Alexander Burns and Clive Brereton
Subjects: Electrolysis, Materials science, Sulfuric acid, Electrolyte, Cell design, Pulp and paper industry, law.invention, chemistry.chemical_compound, Membrane, Brine, chemistry, law, Reagent, Sodium sulfate
Abstract: Electrolytic salt splitting is a technology where acid and/or base is regenerated from a neutral salt using membrane electrolysis. Recent advances in the understanding of brine treatment, membrane stability, and cell design have made electrolytic salt splitting feasible on certain hydrometallurgical solutions. Meanwhile, environmental regulations have made the bulk disposal of salt solutions more difficult. In this paper, sodium sulfate salt splitting is examined from a cost perspective, compared to purchasing the reagents directly. Relative costs are estimated for several regions based on published electricity and reagent prices. The results show that salt splitting is economically favourable in some regions, and can be made more favourable by applying modifications to the traditional three-compartment design.
Published: 2018

50. Correction to: NMR structure of the HIV-1 reverse transcriptase thumb subdomain

Author: Andrew E. Brereton, P. Andrew Karplus, Naima G. Sharaf, Angela M. Gronenborn, and In-Ja L. Byeon
Subjects: Chemistry, Human immunodeficiency virus (HIV), Thumb, medicine.disease_cause, Biochemistry, Resonance (particle physics), Given name, Reverse transcriptase, Article, Nuclear magnetic resonance, medicine.anatomical_structure, medicine, GeneralLiterature_REFERENCE(e.g.,dictionaries,encyclopedias,glossaries), Spectroscopy
Abstract: Here, we report the solution NMR structure of the isolated thumb subdomain of HIV-1 reverse transcriptase (RT). A detailed comparison of the current structure with dozens of the highest resolution crystal structures of this domain in the context of the full-length enzyme reveals that the overall structures are very similar, with only two regions exhibiting local conformational differences. The C-terminal capping pattern of the αH helix is subtly different, and the loop connecting the αI and αJ helices in the p51 chain of the full-length p51/p66 heterodimeric RT differs from our NMR structure due to unique packing interactions in mature RT. Overall, our data show that the thumb subdomain folds independently and essentially the same in isolation as in its natural structural context.
Published: 2017

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