159 results on '"William E. White"'
Search Results
2. Renal Function Underpins the Cyclooxygenase-2: Asymmetric Dimethylarginine Axis in Mouse and Man
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Plinio Ferreira, Ricky Vaja, Maria Lopes-Pires, Marilena Crescente, He Yu, Rolf Nüsing, Bin Liu, Yingbi Zhou, Magdi Yaqoob, Anran Zhang, Matthew Rickman, Hilary Longhurst, William E. White, Rebecca B. Knowles, Melissa V. Chan, Timothy D. Warner, Elizabeth Want, Nicholas S. Kirkby, and Jane A. Mitchell
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Nephrology - Published
- 2023
3. Improved learning in grid-to-grid neural network via clustering.
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William E. White, Khan M. Iftekharuddin, and Abdesselam Bouzerdoum
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- 2010
- Full Text
- View/download PDF
4. Recurrent network-based face recognition using image sequences.
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Yong Ren, Khan M. Iftekharuddin, and William E. White
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- 2009
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5. Pose invariant face recognition using Cellular Simultaneous Recurrent Networks.
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Yong Ren, Keith Anderson, Khan M. Iftekharuddin, Paul Kim, and William E. White
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- 2009
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- View/download PDF
6. Recurrent episodes of renal impairment with cytopaenias and lymphadenopathy
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William E. White, Oscar Swift, Victoria Bardsley, Barbara Thompson, and Ian Proctor
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Pediatrics ,medicine.medical_specialty ,Text mining ,business.industry ,Recurrence ,Medicine ,Humans ,Lymphadenopathy ,General Medicine ,Renal Insufficiency ,business - Published
- 2021
7. 46 Dietetic intervention for patients with advanced chronic kidney disease – a conservative management approach
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Dawn Yokum, Ruby Tayab, Magdi Yaqoob, William E. White, and Jaryn Go
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medicine.medical_specialty ,Kidney ,education.field_of_study ,Low protein ,Nutritional Supplementation ,business.industry ,medicine.medical_treatment ,Population ,Psychological intervention ,medicine.disease ,medicine.anatomical_structure ,Quality of life ,Internal medicine ,medicine ,education ,business ,Dialysis ,Kidney disease - Abstract
Conservative management (supportive care) is defined as individuals with advanced chronic kidney disease (CKD) who choose not to undergo dialysis (supported by their kidney team). A renal supportive care (SC) outpatient service has existed for over 10 years at this large renal unit. Dietetic management in this population is complex, with the aim being to alleviate and/or reduce the risk of symptoms associated with advanced CKD and support quality of life. This may involve dietetic interventions such as: management of blood biochemistry (potassium, phosphate and mineral bone disease), fluid status (no added salt), low protein and nutritional support. The aim is to evaluate current dietetic practice using a snapshot of the SC population The method used was a random sample of selected patients. Data collected included demographics, prevalence of abnormal blood results, low protein diet advice and nutritional support. The results for twenty patients (11% of the SC population) were used. Median age 80.5, range: 70 – 99years). Median duration under SC service: 23.5 (range: Eighteen patients (90%) had received dietetic input. Half of these patients (n=9) required a low protein diet and 33% (n=6) were given nutritional supplementation. Three patients (15%) had either a recent elevated blood potassium or phosphate level. In conclusion, the complexity of dietetic management in this SC patient population highlights the importance of a renal dietitian’s involvement to help alleviate symptoms of advanced CKD and support quality of life. Further research into outcomes including patient/carer experience surveys is warranted.
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- 2019
8. Letter by Mitchell et al Regarding Article, 'Urinary Prostaglandin Metabolites: An Incomplete Reckoning and a Flush to Judgment'
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Hilary Longhurst, William E. White, Daniel M. Reed, Ginger L. Milne, Rebecca Knowles, Magdi Yaqoob, Melissa V. Chan, Jane A. Mitchell, Nicholas S. Kirkby, Timothy D. Warner, Darryl C. Zeldin, and Matthew L Edin
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0301 basic medicine ,Physiology ,Phospholipases A2, Cytosolic ,Prostaglandin ,6-Ketoprostaglandin F1 alpha ,030204 cardiovascular system & hematology ,Kidney ,1102 Cardiovascular Medicine And Haematology ,Article ,03 medical and health sciences ,chemistry.chemical_compound ,0302 clinical medicine ,Loss of Function Mutation ,Humans ,Cells, Cultured ,1103 Clinical Sciences ,Middle Aged ,Allografts ,Kidney Transplantation ,Epistemology ,Thromboxane B2 ,Phenotype ,030104 developmental biology ,Cardiovascular System & Hematology ,chemistry ,Prostaglandin-Endoperoxide Synthases ,Female ,Cardiology and Cardiovascular Medicine ,Biomarkers - Abstract
We would like to thank Dr Grosser et al1 for their continued interest in our work. While we may not agree with their arguments or their opinions of our study,2 we welcome debate in this extremely important area. We take this opportunity to address the points that they raise. First, although urine may well be a convenient compartment within which to measure markers of prostacyclin and thromboxane A2, numerous observations,3–10 of which ours is only the latest,2 indicate that they poorly reflect production within the circulation and the reactivities of endothelial cells and platelets. Second, the literature that Grosser et al1 cite is somewhat selective and in places inaccurate. For example, reference 3,11 which the authors cite to substantiate the statement “Most insights into the in vivo biology and pharmacology of the prostaglandin pathway have derived from the …
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- 2018
9. Kidney disease in the elderly
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Andrea Cove-Smith and William E. White
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Nephrology ,medicine.medical_specialty ,education.field_of_study ,Palliative care ,business.industry ,medicine.medical_treatment ,Population ,Acute kidney injury ,General Medicine ,urologic and male genital diseases ,medicine.disease ,humanities ,female genital diseases and pregnancy complications ,Quality of life (healthcare) ,Renal pathology ,Internal medicine ,medicine ,Renal replacement therapy ,education ,business ,Intensive care medicine ,Kidney disease - Abstract
Chronic kidney disease (CKD) and acute kidney injury (AKI) are more common in the elderly due to ageing-related changes in the kidney. Renal pathology in the elderly will in future form an increasing proportion of the workload of nephrologists, specialists in internal medicine and general practitioners due to ageing of the general population. AKI in the elderly can often be anticipated and prevented. Published guidelines concerning the management of CKD in younger adults may not be universally implementable in the elderly, and may ignore complications and challenges specific to this age group. There is a growing demand for renal services to provide renal replacement therapy (RRT) to elderly patients. The decision to start an elderly person on a particular form of RRT should follow careful assessment of their biological age, function and lifestyle, and their health priorities and quality of life must be kept at the centre of decision-making at all times. Patients who are unsuited to or do not wish to commence RRT may do very well with maximal conservative management (MCM). End-of-life and palliative care remains somewhat underused in nephrology, and is an area that needs to be developed further.
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- 2015
10. The Linac Coherent Light Source
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Aymeric Robert, William E. White, and Mike Dunne
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Nuclear and High Energy Physics ,Radiation ,Linac Coherent Light Source ,Computer science ,business.industry ,Electrical engineering ,Particle accelerator ,FEL, X-ray ,Laser ,Linear particle accelerator ,law.invention ,law ,User Facility ,business ,Free-Electron Lasers ,Instrumentation - Abstract
The present status of the Linac Coherent Light Source as a user facility is presented. Opportunities and challenges as well as the scientific impact of X-ray free-electron lasers are discussed., The Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory was the first hard X-ray free-electron laser (FEL) to operate as a user facility. After five years of operation, LCLS is now a mature FEL user facility. Our personal views about opportunities and challenges inherent to these unique light sources are discussed.
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- 2015
11. Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter
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A. E. Gleason, William E. White, M. Marvin Seibert, Marc Messerschmidt, Ph. Hering, Damian Swift, Justin Wark, Despina Milathianaki, Daniel Ratner, Joseph Robinson, Sébastien Boutet, Garth J. Williams, and Andrew Higginbotham
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Diffraction ,Multidisciplinary ,Condensed matter physics ,Nanotechnology ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Laser ,Microstructure ,01 natural sciences ,Strength of materials ,law.invention ,Condensed Matter::Materials Science ,law ,Picosecond ,Lattice (order) ,0103 physical sciences ,Femtosecond ,010306 general physics ,0210 nano-technology ,Ultrashort pulse - Abstract
Elastic to Plastic When a crystal is mechanically compressed, it first reacts elastically (reversibly), and then enters the plastic regime, in which the structure of the material is irreversibly changed. This process can be studied with molecular dynamics (MD) simulations on very fine temporal and spatial scales, but experimental analysis has lagged behind. Milathianaki et al. (p. 220 ) shocked polycrystalline copper with a laser beam, and then took successive snapshots of the crystal structure at 10-picosecond intervals. The results were compared directly with atomistic simulations and revealed that the yield stress—the point of transition from plastic to elastic response—agreed well with MD predictions.
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- 2013
12. Contamination of current-clamp measurement of neuron capacitance by voltage-dependent phenomena
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Scott L. Hooper and William E. White
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Neurons ,Physics ,Membrane potential ,Condensed matter physics ,Physiology ,General Neuroscience ,Time constant ,Conductance ,Electrochemical Techniques ,Electric Capacitance ,Capacitance ,Membrane Potentials ,Amplitude ,Current clamp ,Innovative Methodology ,Animals ,Palinuridae ,Voltage - Abstract
Measuring neuron capacitance is important for morphological description, conductance characterization, and neuron modeling. One method to estimate capacitance is to inject current pulses into a neuron and fit the resulting changes in membrane potential with multiple exponentials; if the neuron is purely passive, the amplitude and time constant of the slowest exponential give neuron capacitance (Major G, Evans JD, Jack JJ. Biophys J 65: 423–449, 1993). Golowasch et al. (Golowasch J, Thomas G, Taylor AL, Patel A, Pineda A, Khalil C, Nadim F. J Neurophysiol 102: 2161–2175, 2009) have shown that this is the best method for measuring the capacitance of nonisopotential (i.e., most) neurons. However, prior work has not tested for, or examined how much error would be introduced by, slow voltage-dependent phenomena possibly present at the membrane potentials typically used in such work. We investigated this issue in lobster ( Panulirus interruptus) stomatogastric neurons by performing current clamp-based capacitance measurements at multiple membrane potentials. A slow, voltage-dependent phenomenon consistent with residual voltage-dependent conductances was present at all tested membrane potentials (−95 to −35 mV). This phenomenon was the slowest component of the neuron's voltage response, and failure to recognize and exclude it would lead to capacitance overestimates of several hundredfold. Most methods of estimating capacitance depend on the absence of voltage-dependent phenomena. Our demonstration that such phenomena make nonnegligible contributions to neuron responses even at well-hyperpolarized membrane potentials highlights the critical importance of checking for such phenomena in all work measuring neuron capacitance. We show here how to identify such phenomena and minimize their contaminating influence.
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- 2013
13. Perspective for high energy density studies on X-ray FELs
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Sebastian Göde, R. Sobierajski, Gianluca Gregori, Michaela Kozlova, Gerd Röpke, Karel Saksl, Art J. Nelson, Jacek Krzywinski, Andreas Przystawik, K. S. Budil, S. Düsterer, Thomas Tschentscher, Justin Wark, Philip Heimann, Sven Toleikis, J. Cihelka, Thomas Dzelzainis, William E. White, Libor Juha, R. C. Cauble, Josef Tiggesbäumker, R. R. Fäustlin, Saša Bajt, T. Whitcher, R. Thiele, Fida Khattak, Bob Nagler, Heidi Reinholz, Richard W. Lee, Henry N. Chapman, Dorota Klinger, E. Förster, T. Bornath, Siegfried Glenzer, Carsten Fortmann, Tomáš Burian, Karl-Heinz Meiwes-Broer, Marta Fajardo, P. Mercere, Roger Falcone, Ronald Redmer, Tim Laarmann, Sam Vinko, Hyesog Lee, Věra Hájková, Ronnie Shepherd, Jerome B. Hastings, Ulf Zastrau, Marek Jurek, J. Chalupsky, William J. Murphy, Tilo Döppner, A.R. Khorsand, Ingo Uschmann, and David Riley
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Physics ,Photon ,business.industry ,Parabolic reflector ,Free-electron laser ,DESY ,Warm dense matter ,Photodiode ,law.invention ,Optics ,law ,Physics::Accelerator Physics ,Absorption (electromagnetic radiation) ,Spectroscopy ,business - Abstract
We report on the x-ray absorption of Warm Dense Matter experiment at the FLASH Free Electron Laser (FEL) facility at DESY. The FEL beam is used to produce Warm Dense Matter with soft x-ray absorption as the probe of electronic structure. A multilayer-coated parabolic mirror focuses the FEL radiation, to spot sizes as small as 0.3μm in a ∼15fs pulse of containing >10 12 photons at 13.5 nm wavelength, onto a thin sample. Silicon photodiodes measure the transmitted and reflected beams, while spectroscopy provides detailed measurement of the temperature of the sample. The goal is to measure over a range of intensities approaching 10 18 W/cm 2. Experimental results will be presented along with theoretical calculations. A brief report on future FEL efforts will be given. © 2009 SPIE.
- Published
- 2016
14. Determining all parameters necessary to build Hill-type muscle models from experiments on single muscles
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Ansgar Büschges, Marcus Blümel, Scott L. Hooper, Christoph Guschlbauerc, and William E. White
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Motor Neurons ,General Computer Science ,Basis (linear algebra) ,Property (programming) ,Muscles ,Work (physics) ,Function (mathematics) ,Type (model theory) ,Models, Biological ,Article ,Electric Stimulation ,Exponential function ,Data point ,Humans ,Extensor muscle ,Biological system ,Simulation ,Biotechnology ,Mathematics - Abstract
Characterizing muscle requires measuring such properties as force---length, force---activation, and force---velocity curves. These characterizations require large numbers of data points because both what type of function (e.g., linear, exponential, hyperbolic) best represents each property, and the values of the parameters in the relevant equations, need to be determined. Only a few properties are therefore generally measured in experiments on any one muscle, and complete characterizations are obtained by averaging data across a large number of muscles. Such averaging approaches can work well for muscles that are similar across individuals. However, considerable evidence indicates that large inter-individual variation exists, at least for some muscles. This variation poses difficulties for across-animal averaging approaches. Methods to fully describe all muscle's characteristics in experiments on individual muscles would therefore be useful. Prior work in stick insect extensor muscle has identified what functions describe each of this muscle's properties and shown that these equations apply across animals. Characterizing these muscles on an individual-by-individual basis therefore requires determining only the values of the parameters in these equations, not equation form. We present here techniques that allow determining all these parameter values in experiments on single muscles. This technique will allow us to compare parameter variation across individuals and to model muscles individually. Similar experiments can likely be performed on single muscles in other systems. This approach may thus provide a widely applicable method for characterizing and modeling muscles from single experiments.
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- 2012
15. Nanoflow electrospinning serial femtosecond crystallography
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Despina Milathianaki, Nathaniel Echols, Michael J. Bogan, Johan Hattne, Julia Hellmich, Athina Zouni, Petrus H. Zwart, Paul D. Adams, Roberto Alonso-Mori, Rosalie Tran, Garth J. Williams, Nicholas K. Sauter, M. Marvin Seibert, William E. White, Tsu-Chien Weng, Ralf W. Grosse-Kunstleve, Benedikt Lassalle-Kaiser, Vittal K. Yachandra, Junko Yano, Dimosthenis Sokaras, Sébastien Boutet, Richard J. Gildea, A. Miahnahri, Marc Messerschmidt, Donald W. Schafer, D. Starodub, Pieter Glatzel, Trevor A. McQueen, Hartawan Laksmono, Christina Y. Hampton, Jan Kern, Carina Glöckner, Uwe Bergmann, Alan Fry, Jonas A. Sellberg, N. Duane Loh, Johannes Messinger, and Raymond G. Sierra
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Thermolysin ,Short Communications ,Analytical chemistry ,02 engineering and technology ,Crystallography, X-Ray ,law.invention ,03 medical and health sciences ,Electromagnetic Fields ,Structural Biology ,law ,Biological sciences ,030304 developmental biology ,0303 health sciences ,Particle properties ,Chemistry ,Lasers ,Resolution (electron density) ,Equipment Design ,General Medicine ,021001 nanoscience & nanotechnology ,Laser ,Electrospinning ,Kinetics ,Crystallography ,Sample Size ,Femtosecond ,Crystallization ,0210 nano-technology - Abstract
An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min−1to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at 0.17 µl min−1and diffracted to beyond 4 Å resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 µg of protein. Nanoflow electrospinning extends SFX to biological samples that necessitate minimal sample consumption.
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- 2012
16. Opening the Digital Door: Colonial Williamsburg Online
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William E. White
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History ,History and Philosophy of Science ,media_common.quotation_subject ,Art ,Colonialism ,Education ,Visual arts ,media_common - Published
- 2011
17. First lasing and operation of an ångstrom-wavelength free-electron laser
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Stefan Moeller, William E. White, J. Rzepiela, Marc Messerschmidt, R. H. Iverson, Ph. Hering, Josef Frisch, R. Akre, J. Arthur, A. Miahnahri, Richard M. Bionta, Heinz-Dieter Nuhn, Y. Ding, P. Stefan, Paul Emma, Alan Fisher, Jerome B. Hastings, T. Smith, Philip H. Bucksbaum, S. A. Edstrom, D. Schultz, G. Hays, Daniel Ratner, Ryan Coffee, G. Pile, John D. Bozek, Christoph Bostedt, F.-J. Decker, Gerald Yocky, Henrik Loos, Zhirong Huang, David H. Dowell, J. Galayda, Joshua J. Turner, Axel Brachmann, Sasha Gilevich, J. Welch, Juhao Wu, and H. Tompkins
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Physics ,Brightness ,business.industry ,Orders of magnitude (temperature) ,Astrophysics::High Energy Astrophysical Phenomena ,Self-amplified spontaneous emission ,Free-electron laser ,Laser ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,law.invention ,SACLA ,Wavelength ,Optics ,law ,Physics::Accelerator Physics ,Optoelectronics ,business ,Lasing threshold - Abstract
The Linac Coherent Light Source free-electron laser has now achieved coherent X-ray generation down to a wavelength of 1.2 A and at a brightness that is nearly ten orders of magnitude higher than conventional synchrotrons. Researchers detail the first operation and beam characteristics of the system, which give hope for imaging at atomic spatial and temporal scales.
- Published
- 2010
18. Pyloric Neuron Morphology in the Stomatogastric Ganglion of the Lobster, Panulirus interruptus
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Jeffrey B. Thuma, Scott L. Hooper, William E. White, and Kevin H. Hobbs
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Morphology (linguistics) ,Neurite ,Anatomy ,Biology ,Stomatogastric ganglion ,Astacidea ,biology.organism_classification ,Ganglion ,Behavioral Neuroscience ,Electrophysiology ,medicine.anatomical_structure ,nervous system ,Developmental Neuroscience ,medicine ,Neuropil ,Neuron ,Neuroscience - Abstract
The pyloric network of decapod crustaceans has been intensively studied electrophysiologically in the infraorders Astacidea, Brachyura, and Palinura. The morphology of some or all pyloric neurons has been well described in Astacidea and Brachyura, but less so in Palinura. Given the large evolutionary distance between these three groups, and the large amount of electrophysiology that has been performed in palinuroid species, it is important to fill this gap. We describe here the gross morphology of all six pyloric neuron types in a palinuroid, P. interruptus. All pyloric neurons had complicated, extended dendritic trees that filled the majority of the neuropil, with most small diameter processes present in a shell near the surface of the ganglion. Certain neuron types showed modest preferences for somata location in the ganglion, but these differences were too weak to use as identifying characteristics. Quantitative measurements of secondary branch number, maximum branch order, total process length, and neuron somata diameter were also, in general, insufficient to distinguish among the neurons, although AB and LP neuron somata diameters differed from those of the other types. One neuron type (VD) had a distinctive neurite branching pattern consisting of a small initial branch followed shortly by a bifurcation of the main neurite. The processes arising from these two branches occupied largely non-overlapping neuropil. Electrophysiological recordings showed that each major branch had its own spike initiation zone and that, although the zones fired correlated spikes, they generated spikes independently. VD neurons in the other infraorders have similar morphologies, suggesting that having two arbors is important for the function of this neuron. These data are similar to those previously obtained in Brachyura and Astacidea. It thus appears that, despite their long evolutionary separation, neuron morphology in these three infraorders has not greatly diverged.
- Published
- 2009
19. The Idea of America: A Case Study Approach
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James E. Davis, William E. White, H. Michael Hartoonian, and Richard van Scotter
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Civics ,Teaching method ,Mathematics education ,Sociology ,Social studies ,Curriculum - Abstract
(2007). The Idea of America: A Case Study Approach. The Social Studies: Vol. 98, No. 6, pp. 242-250.
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- 2007
20. A Gateway to Social Studies through Topical History
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James E. Davis, Richard van Scotter, H. Michael Hartoonian, and William E. White
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business.industry ,Internet privacy ,Political history ,Gateway (computer program) ,Sociology ,Social science ,business ,Social studies - Published
- 2007
21. The United States: A Persistent Debate
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H. Michael Hartoonian, James E. Davis, William E. White, and Richard van Scotter
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Political science ,Political economy ,media_common.quotation_subject ,Social change ,Social science ,Citizenship ,Democracy ,media_common - Published
- 2007
22. New Science Opportunities Enabled by LCLS-II X-Ray Lasers
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M. Wei, R. Coffee, Y. Zhu, Richard A. Kirian, Jerry LaRue, Mark S. Hunter, Sébastien Boutet, Dennis Nordlund, D. Osborn, D. Lu, P. Abbamonte, C.J. Kenney, A. Lanzara, H. Kim, L. Young, U. Lundstrom, Musa Ahmed, C. McGuffey, Daniel Slaughter, Oleg Shpyrko, A. Thomas, Robert G. Moore, J. B. Hastings, Brenda G. Hogue, Gabriel Blaj, K. Sokolowski Tinten, Kimberly L. Nelson, M. Dantus, Robert W. Schoenlein, L. Fou car, P. Denes, Abbas Ourmazd, D. Parkinson, Oliver Gessner, S. Nozawa, Vittal K. Yachandra, Junko Yano, David A. Reis, A. MacDowell, C. Taatjes, Z. Huang, S. Nemšák, H. Michelsen, S. Arizona, Michael P. Minitti, J. S. Robinson, Thomas M. Weiss, F. Abild Pedersen, Y. Chuang, Pontus Fischer, William E. White, M. Hashimoto, Shambhu Ghimire, C. Pelle grini, Georgi L. Dakovski, Daniel Rolles, Shantanu Sinha, Richard Neutze, Wilfried Wurth, Greg L. Hura, W. Mao, Gordon E. Brown, Allen M. Orville, Peter M. Weber, H. A. Dürr, Paul H. Fuoss, C. Jacobsen, Steven A. Kivelson, Todd J. Martínez, Sashwati Roy, D. Yarotski, Reinhard Dörner, Nora Berrah, Y. Tsui, Artem Rudenko, Zahid Hussain, Jonathan P. Marangos, Hendrik Ohldag, Sebastian Doniach, Stefan Moeller, John Hill, Luke Fletcher, James P. Cryan, A. Cordones Hahn, Alan Fry, J. Lee, Geraldine McDermott, G. Kovácsová, Y. Ding, S. M. Vinko, Ilme Schlichting, Heinz Frei, Nils Huse, Philippe Wernet, Y. Lee, C. Bolme, Anton Barty, Timur Osipov, Uwe Bergmann, S. Mukamel, Hendrik Bluhm, P.A. Heimann, I. Lindau, Y. Feng, Phillip Bucksbaum, Arvinder Sandhu, James S. Fraser, M. Cargnello, Jens K. Nørskov, Paul D. Adams, Adi Natan, George N. Phillips, Z. Liu, M. Schoeffler, W. Lee, Villy Sundström, Claudiu A. Stan, A. Scholl, Hasan DeMirci, Andrea Cavalleri, Tony F. Heinz, Stephen D. Kevan, A. Reid, S. Hansen, M. Armstrong, Joachim Stöhr, Thomas P. Devereaux, Gabriella Carini, Philip R. Willmott, Paul Emma, Arianna Gleason, J. Kim, Diling Zhu, R. Schlögl, Petra Fromme, C. Kliewer, S. Southworth, Nicholas K. Sauter, Matthias Fuchs, Christoph Bostedt, Mariano Trigo, Z. Shen, Petrus H. Zwart, Markus Ilchen, Gilbert Collins, Roger Falcone, D. Sokaras, S. Miyabe, William F. Schlotter, Alexander X. Gray, T. Rasing, R. Alonso Mori, Thomas N. Rescigno, S.H. Glenzer, Robert M. Stroud, A. Aqui la, Frederico Fiuza, Robert B. Sandberg, Kelly J. Gaffney, E. J. Gamboa, A. Hexemer, A. W. van Buuren, Jan Kern, Soichi Wakatsuki, David Fritz, Jen Schneider, Justin Wark, John V. Arthur, F. Himpsel, Anders Nilsson, D. Eisenberg, J. Bargar, C. Fadley, Thorsten Weber, Patrick S. Kirchmann, J. Guo, Daniele Cocco, Philip A. Anfinrud, Matthias Frank, Mike Dunne, Aymeric Robert, P. Ho, Karol Nass, Felicie Albert, Markus Guehr, Jonathan Sobota, Daniel J. Haxton, K. Wilson, Aaron M. Lindenberg, Jan M. Rost, William McCurdy, H. Lee, Thomas P. Russell, Marius Schmidt, Joshua J. Turner, J. Ko ralek, Tor Raubenheimer, Vadim Cherezov, T. Silva, T. Egami, W. Chiu, P. Hart, Tais Gorkhover, Hirohito Ogasawara, Janos Hajdu, Gabriel Marcus, and Daniel M. Neumark
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Physics ,law ,business.industry ,X-ray ,Optoelectronics ,Laser ,business ,law.invention - Published
- 2015
23. Aging and uremia: Is there cellular and molecular crossover?
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Steven Harwood, Muhammad M. Yaqoob, and William E. White
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Senescence ,business.industry ,Necroptosis ,Disease ,Review ,Bioinformatics ,medicine.disease ,Uremia ,Proteostasis ,medicine ,Post-translational protein modification ,business ,Klotho ,Kidney disease - Abstract
Many observers have noted that the morphological changes that occur in chronic kidney disease (CKD) patients resemble those seen in the geriatric population, with strikingly similar morbidity and mortality profiles and rates of frailty in the two groups, and shared characteristics at a pathophysiological level especially in respect to the changes seen in their vascular and immune systems. However, whilst much has been documented about the shared physical characteristics of aging and uremia, the molecular and cellular similarities between the two have received less attention. In order to bridge this perceived gap we have reviewed published research concerning the common molecular processes seen in aging subjects and CKD patients, with specific attention to altered proteostasis, mitochondrial dysfunction, post-translational protein modification, and senescence and telomere attrition. We have also sought to illustrate how the cell death and survival pathways apoptosis, necroptosis and autophagy are closely interrelated, and how an understanding of these overlapping pathways is helpful in order to appreciate the shared molecular basis behind the pathophysiology of aging and uremia. This analysis revealed many common molecular characteristics and showed similar patterns of cellular dysfunction. We conclude that the accelerated aging seen in patients with CKD is underpinned at the molecular level, and that a greater understanding of these molecular processes might eventually lead to new much needed therapeutic strategies of benefit to patients with renal disease.
- Published
- 2015
24. The Matter in Extreme Conditions instrument at the Linac Coherent Light Source
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Justin Garofoli, G. Hays, Lori Plummer, Alex Wallace, Richard W. Lee, A. Schropp, Zhou Xing, Eduardo Granados, Gary Bouchard, Jing Yin, James Young, J. B. Hastings, Richard M. Boyce, Brice Arnold, Marc Campell, Ruben Curiel, Alice Callen, Hae Ja Lee, Marc Welch, Bob Nagler, Despina Milathianaki, Ulf Zastrau, Eric Galtier, Philip Heimann, William E. White, and Richard F. Boyce
- Subjects
Nuclear and High Energy Physics ,Astrophysics::High Energy Astrophysical Phenomena ,Nanotechnology ,Linear particle accelerator ,law.invention ,high-pressure science ,Optics ,law ,Instrumentation (computer programming) ,Free-Electron Lasers ,Instrumentation ,Laser beams ,FEL ,Physics ,Radiation ,business.industry ,Particle accelerator ,Warm dense matter ,high energy density science ,warm dense matter ,X-ray Thomson scattering ,Beamline ,ddc:540 ,Transient (oscillation) ,business ,Beam (structure) - Abstract
A description of the Matter in Extreme Conditions instrument at the Linac Coherent Light Source is given. Recent scientific highlights illustrate phase-contrast imaging of shock waves, X-ray Thomson scattering and X-ray diffraction of shocked materials., The LCLS beam provides revolutionary capabilities for studying the transient behavior of matter in extreme conditions. The particular strength of the Matter in Extreme Conditions instrument is that it combines the unique LCLS beam with high-power optical laser beams, and a suite of dedicated diagnostics tailored for this field of science. In this paper an overview of the beamline, the capabilities of the instrumentation, and selected highlights of experiments and commissioning results are presented.
- Published
- 2015
25. The steric and electronic effects of aliphatic fluoroalkyl groups
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William E. White and Christopher M. Timperley
- Subjects
Steric effects ,Chemistry ,Organic Chemistry ,chemistry.chemical_element ,Biochemistry ,Medicinal chemistry ,Oxygen ,Acid dissociation constant ,Inorganic Chemistry ,Electronegativity ,Computational chemistry ,Ab initio quantum chemistry methods ,Electronic effect ,Environmental Chemistry ,Physical and Theoretical Chemistry ,Isopropyl ,Basis set - Abstract
Ab initio calculations were performed on 18 fluorinated and unfluorinated alcohols at the B3LYP and HF levels with the 6-311G∗∗ basis set. Molar volumes of the alcohols were computed at each level and averaged to produce a scale of relative size. From this, various isosteric replacements of potential use in drug design were suggested: ethyl by FCH2CH2 or HCF2CH2, propyl by CF3CH2, isopropyl by CF3(CH3)CH or (FCH2)2CH, isobutyl or t-butyl by (CF3)2CH, and 3-methyl-2-butyl by CF3(CH3)2C. Calculation of the charge on oxygen and the Wiberg index of the CO bond allowed an electronegativity scale to be constructed for the fluoroalkyl groups. Electronegativity decreased in the order: (CF3)3C>(CF3)2CH>C2F5CH2>CF3CH2>CH3(CF3)2C>HCF2CH2>CF3(CH3)CH>(FCH2)2CH>FCH2CH2>CF3(CH3)2C. This ranking agreed with literature acid dissociation data for the alcohols studied.
- Published
- 2003
26. Optical laser systems at the Linac Coherent Light Source
- Author
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William E. White, Wayne Polzin, Alan Fry, Franz Tavella, S. A. Edstrom, Daniel Ratner, Eduardo Granados, Ryan Coffee, A. Miahnahri, James M. Glownia, Sharon Vetter, Despina Milathianaki, P. Hering, Sasha Gilevich, Marc Welch, Joseph Robinson, Matthias C. Hoffmann, and Michael P. Minitti
- Subjects
Nuclear and High Energy Physics ,Energy transfer ,Physics::Optics ,Pump probe ,Crystallography, X-Ray ,Electromagnetic radiation ,Linear particle accelerator ,California ,law.invention ,Optics ,law ,Instrumentation ,Free-Electron Lasers ,Lighting ,Physics ,FEL ,Radiation ,business.industry ,Lasers ,X-Rays ,Spectrometry, X-Ray Emission ,Particle accelerator ,Equipment Design ,Laser ,Equipment Failure Analysis ,Energy Transfer ,pump–probe ,Physics::Accelerator Physics ,Optoelectronics ,Experimental methods ,Particle Accelerators ,ultrafast lasers ,business ,Ultrashort pulse - Abstract
This manuscript serves as a reference to describe the optical laser sources and capabilities at the Linac Coherent Light Source., Ultrafast optical lasers play an essential role in exploiting the unique capabilities of recently commissioned X-ray free-electron laser facilities such as the Linac Coherent Light Source (LCLS). Pump–probe experimental techniques reveal ultrafast dynamics in atomic and molecular processes and reveal new insights in chemistry, biology, material science and high-energy-density physics. This manuscript describes the laser systems and experimental methods that enable cutting-edge optical laser/X-ray pump–probe experiments to be performed at LCLS.
- Published
- 2014
27. Spectral encoding method for measuring the relative arrival time between x-ray/optical pulses
- Author
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William E. White, Christoph Bostedt, Mina R. Bionta, Nick Hartmann, Sebastian Schorb, M. Chollet, James M. Glownia, Daniel J. Kane, Jacek Krzywinski, Henrik T. Lemke, James P. Cryan, Marc Messerschmidt, Alan Fry, Diling Zhu, Ryan Coffee, D. J. Nicholson, David Fritz, Kevin Baker, Doug French, M. Weaver, Yuantao Ding, Femto (LCAR), Laboratoire Collisions Agrégats Réactivité (LCAR), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), SLAC National Accelerator Laboratory (SLAC), Stanford University, Lawrence Livermore National Laboratory (LLNL), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées
- Subjects
Physics ,business.industry ,Particle accelerator ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Laser ,01 natural sciences ,Signal ,Synchronization ,Linear particle accelerator ,law.invention ,Optical pumping ,Optics ,law ,0103 physical sciences ,Femtosecond ,010306 general physics ,0210 nano-technology ,business ,Instrumentation ,Jitter - Abstract
International audience; The advent of few femtosecond x-ray light sources brings promise of x-ray/optical pump-probe experiments that can measure chemical and structural changes in the 10-100 fs time regime. Widely distributed timing systems used at x-ray Free-Electron Laser facilities are typically limited to above 50 fs fwhm jitter in active x-ray/optical synchronization. The approach of single-shot timing measurements is used to sort results in the event processing stage. This has seen wide use to accommodate the insufficient precision of active stabilization schemes. In this article, we review the current technique for "measure-and-sort" at the Linac Coherent Light Source at the SLAC National Accelerator Laboratory. The relative arrival time between an x-ray pulse and an optical pulse is measured near the experimental interaction region as a spectrally encoded cross-correlation signal. The cross-correlation provides a time-stamp for filter-and-sort algorithms used for real-time sorting. Sub-10 fs rms resolution is common in this technique, placing timing precision at the same scale as the duration of the shortest achievable x-ray pulses.
- Published
- 2014
28. Sub-femtosecond precision measurement of relative X-ray arrival time for free-electron lasers
- Author
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Jean-Charles Castagna, Andreas Galler, John D. Bozek, Sebastian Carron, Nik Hartmann, Daniel J. Kane, Sebastian Schorb, William E. White, Mina R. Bionta, Thomas Feurer, M. Swiggers, Wolfram Helml, Serguei L. Molodtsov, Kevin Ferguson, Allan Fry, Jan Grünert, Ryan Coffee, Christoph P. Hauri, James M. Glownia, Christoph Bostedt, Institute of Applied Physics [Bern] (IAP), University of Bern, SLAC National Accelerator Laboratory (SLAC), Stanford University, European XFEL GmbH, Femto (LCAR), Laboratoire Collisions Agrégats Réactivité (LCAR), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Paul Scherrer Institute (PSI), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), and Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)
- Subjects
Physics ,Free electron model ,[PHYS]Physics [physics] ,business.industry ,X-ray ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Laser ,01 natural sciences ,Arrival time ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,law.invention ,Optics ,law ,Temporal resolution ,0103 physical sciences ,Femtosecond ,010306 general physics ,0210 nano-technology ,business ,ComputingMilieux_MISCELLANEOUS - Abstract
Today's brightest coherent X-ray sources, X-ray free-electron lasers, produce ultrafast X-ray pulses for which full-width at half-maximum durations as short as 3 fs have been measured(1). There has been a marked increase in the popularity of such short pulses now that optical timing techniques have begun to report an X-ray/optical delay below similar to 10 fs r.m.s. errors. As a result, sub-10 fs optical pulses have been implemented at the Linac Coherent Light Source (LCLS) X-ray beamlines, thus warranting a push to reduce the error in X-ray/optical delay measurements to the ifs level. Here, we report a unique two-dimensional spectrogram measurement of the relative X-ray/optical delay. This easily scalable relative delay measurement already surpasses previous techniques by an order of magnitude with its sub-1 fs temporal resolution and opens up the prospect of time-resolved X-ray measurements to the attosecond community.
- Published
- 2014
29. Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers
- Author
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Alyssa Lampe, Julia Hellmich, Marc Messerschmidt, Johannes Messinger, Richard J. Gildea, Paul D. Adams, M. Marvin Seibert, Carina Glöckner, Dimosthenis Sokaras, Nicholas K. Sauter, Sheraz Gul, Hartawan Laksmono, Vittal K. Yachandra, Junko Yano, Roberto Alonso-Mori, Raymond G. Sierra, Rosalie Tran, Nathaniel Echols, Ralf W. Grosse-Kunstleve, Uwe Bergmann, Michael J. Bogan, Aaron S. Brewster, Petrus H. Zwart, Jason E. Koglin, William E. White, Benedikt Lassalle-Kaiser, Garth J. Williams, D. DiFiore, Despina Milathianaki, Johan Hattne, Pieter Glatzel, Tsu-Chien Weng, Sébastien Boutet, Jan Kern, Athina Zouni, A. Miahnahri, Matthew J. Latimer, Guangye Han, Donald W. Schafer, Alan Fry, and Jonas A. Sellberg
- Subjects
Free electron model ,Diffraction ,Materials science ,Macromolecular Substances ,Molecular Conformation ,Thermolysin ,Bacillus ,Electrons ,02 engineering and technology ,Electron ,Crystallography, X-Ray ,Biochemistry ,Article ,law.invention ,03 medical and health sciences ,Optics ,law ,Calibration ,Radiation damage ,Nanotechnology ,Computer Simulation ,Molecular Biology ,030304 developmental biology ,0303 health sciences ,Likelihood Functions ,business.industry ,Lasers ,X-Rays ,X-ray ,Reproducibility of Results ,Cell Biology ,Equipment Design ,021001 nanoscience & nanotechnology ,Laser ,Zinc ,Models, Chemical ,Biophysics ,Calcium ,Muramidase ,0210 nano-technology ,business ,Crystallization ,Software ,Biotechnology ,Macromolecule - Abstract
X-ray free-electron laser (XFEL) sources enable the use of crystallography to solve three-dimensional macromolecular structures under native conditions and free from radiation damage. Results to date, however, have been limited by the challenge of deriving accurate Bragg intensities from a heterogeneous population of microcrystals, while at the same time modeling the X-ray spectrum and detector geometry. Here we present a computational approach designed to extract statistically significant high-resolution signals from fewer diffraction measurements.
- Published
- 2014
30. Neuronal Model Output Fitness Function.
- Author
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William E. White and Scott L. Hooper
- Published
- 2014
- Full Text
- View/download PDF
31. An ab initio Hartree-Fock study of the reactions of thiiranes with amines
- Author
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William E. White and Harold D. Banks
- Subjects
Organic Chemistry ,Hartree–Fock method ,Ab initio ,lcsh:QD241-441 ,Reaction rate ,chemistry.chemical_compound ,Ammonia ,Aniline ,lcsh:Organic chemistry ,chemistry ,Nucleophile ,Thiirane ,Computational chemistry ,Ethylamine - Abstract
The reactions of thiirane with ammonia, a series of primary amines and aniline have been studied by means of ab initio Hartree-Fock calculations at the 6-31G* level. The transition state geometries were characterized and used to determine the relative rates of reaction. In all cases, anti attack by the nucleophile was favored. Relative rates for the aliphatic amines varied by a factor of less than twenty, with ethylamine being most reactive. Ammonia reacted more than twenty and aniline almost 8 x 10 4 times slower than tert-butylamine. The results can be rationalized on the basis of relative nucleophilicity and nonbonding interactions.
- Published
- 2000
32. Fragmentation of an alkali metal-attached peptide probed by collision-induced dissociation Fourier transform mass spectrometry and computational methodology
- Author
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William E. White, J. B. Wright, Jill R. Scott, Charles L. Wilkins, and Medha J. Tomlinson
- Subjects
Matrix-assisted laser desorption/ionization ,Collision-induced dissociation ,Fragmentation (mass spectrometry) ,Computational chemistry ,Chemistry ,Potassium ,chemistry.chemical_element ,Physical chemistry ,Alkali metal ,Spectroscopy ,Fourier transform ion cyclotron resonance ,Dissociation (chemistry) ,Rubidium - Abstract
Collision-induced dissociation of metal-cationized N-CBZ-Gly-Pro-Gly-Pro-Ala was studied by Fourier transform mass spectrometry. Lithium-, sodium-, potassium- and rubidium-cationized peptide species were generated by matrix-assisted laser desorption/ionization (MALDI) using 2,5-dihydroxybenzoic acid as matrix, together with appropriate metal salts. The experimental mass spectrometric results were interpreted with the aid of Monte Carlo conformational searches using the Amber * force field, together with ab initio molecular orbital calculations with Gaussian-94 for the singly lithium- and potassium-cationized peptides. It is concluded that metal coordination plays a key role in guiding the gas-phase fragmentation of the cationized peptide. In contrast to lithium and sodium, potassium and rubidium apparently do not coordinate to the C-terminal carbonyl. When the peptide is cationized with the two smaller alkali metals, losses corresponding to alanine and CBZ are observed, while the coordination of potassium and rubidium results in only CBZ loss upon dissociation.
- Published
- 1999
33. A Comparison of Semi-Empirical and AB Initio Methods on the Hydrolysis of Phosphinates, Phosphonates, and Phosphates
- Author
-
J.B. Wright and William E. White
- Subjects
Chemistry ,Organic Chemistry ,Solvation ,Hartree–Fock method ,Ab initio ,Trigonal crystal system ,Biochemistry ,Inorganic Chemistry ,Hydrolysis ,symbols.namesake ,Computational chemistry ,Metastability ,symbols ,Molecule ,Hamiltonian (quantum mechanics) - Abstract
The hydrolysis of phosphorus fluoridates was studied by semiempirical and ab initio methods. The reaction proceeds through a metastable intermediate separated from the reactants and products by transition structures. Both methods gave similar qualitative results; however, the first transition (formation of the trigonal bipyrimid intermediate) occurred earlier and the second (loss of F-) later with semiempirical methods. Including solvation in the calculations is critical. The AMSOL program generated reasonable energies especially when the limitations of the semiempirical Hamiltonian are considered. The Onsanger model was not a significant improvement over calculations on isolated molecules.
- Published
- 1999
34. A neutral gas phase mechanism for the reaction of methanol with dimethylphosphinic fluoride
- Author
-
William E. White and J.B. Wright
- Subjects
Proton ,Leaving group ,Ab initio ,chemistry.chemical_element ,Condensed Matter Physics ,Photochemistry ,Biochemistry ,Oxygen ,Transition state ,chemistry.chemical_compound ,chemistry ,Fluorine ,Physical chemistry ,Methanol ,Physical and Theoretical Chemistry ,Fluoride - Abstract
A neutral gas phase reaction pathway for the reaction of methanol with dimethylphosphinic fluoride is presented. This reaction pathway occurs via a proton transfer from methanol to the fluorine leaving group through the phosphinyl oxygen. Gas phase ab initio level calculations at the RHF/6-31G(d), RHF/6-31G(d,p), B3LYP/6-31+G(2d), and B3LYP/6-311++G(2d,p) level of theories were used to follow the complete pathway for this reaction. A 41.2 and a 30.9 kcal/mol gas phase energy barrier was determined for both the RHF/6-31G(d,p) and B3LYP/6-311++G(2d,p) levels of theory, respectively.
- Published
- 1998
35. Demonstration of X-Ray Amplification in Transient Gain Nickel-like Palladium Scheme
- Author
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James Dunn, Ronnie Shepherd, Albert L. Osterheld, Richard E. Stewart, William E. White, and V.N. Shlyaptsev
- Subjects
Physics ,law ,Ionization ,General Physics and Astronomy ,Spontaneous emission ,Atomic physics ,Laser ,Population inversion ,Collisional excitation ,Excitation ,Energy (signal processing) ,law.invention ,Line (formation) - Abstract
We report experimental results of x-ray amplification of spontaneous emission in a Ni-like transient collisional excitation scheme. The Ni-like plasma formation, ionization, and collisional excitation requires irradiation of a slab target by two laser pulses: a formation beam with 5J energy of 800ps duration and a pump beam of 5J energy in 1.1ps. A gain of 35 cm{sup {minus}1} and a gL product of 12.5 are measured on the 4d{r_arrow}4p J=0{r_arrow}1 transition for Ni-like Pd at 147{Angstrom} with an 8mm line focus. The high efficiency of this scheme at {open_quotes}table-top{close_quotes} laser energies is a direct consequence of the nonstationary population inversion produced by the high intensity picosecond pulse. {copyright} {ital 1998} {ital The American Physical Society}
- Published
- 1998
36. The Equity Consequence of School Finance Reform in Kentucky
- Author
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William E. White and Jacob E. Adams
- Subjects
Finance ,Equity risk ,Public economics ,business.industry ,05 social sciences ,Private equity secondary market ,Equity (finance) ,050301 education ,Education ,Club deal ,Economies of scale ,Private equity fund ,0502 economics and business ,Economics ,Revenue ,050207 economics ,business ,0503 education ,Equity capital markets - Abstract
This study examines the equity consequence of school finance policy changes in Kentucky. It incorporates traditional school finance concerns regarding equity targets, objects, principles, and statistics. It utilizes adjustments for district economies of scale and interdistrict price differences. Findings indicate that Kentucky experienced marked improvements in equity as a result of school finance reform, including a narrower dispersion of pupil revenue and greater fiscal neutrality. Equity improvements resulted from policy changes that effectively addressed disequalizing attributes of the pre-reform state aid formula. Manipulating this formula further could produce additional marginal gains in system equity but at substantial cost.
- Published
- 1997
37. Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature
- Author
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Rosalie Tran, Petrus H. Zwart, Donald W. Schafer, Jason E. Koglin, Paul D. Adams, Vittal K. Yachandra, Junko Yano, Ralf W. Grosse-Kunstleve, Sébastien Boutet, Alyssa Lampe, William E. White, Benedikt Lassalle-Kaiser, Sergey Koroidov, Athina Zouni, Despina Milathianaki, Dimosthenis Sokaras, Hartawan Laksmono, Alan Fry, Julia Hellmich, A. Miahnahri, Matthew J. Latimer, Sheraz Gul, Michael J. Bogan, Raymond G. Sierra, Marc Messerschmidt, Pieter Glatzel, Jonas A. Sellberg, Nicholas K. Sauter, Johannes Messinger, Nathaniel Echols, Tsu-Chien Weng, Jan Kern, Johan Hattne, M. Marvin Seibert, Carina Glöckner, Roberto Alonso-Mori, Uwe Bergmann, Garth J. Williams, D. DiFiore, Guangye Han, and Richard J. Gildea
- Subjects
Diffraction ,X-ray spectroscopy ,Multidisciplinary ,Photosystem II ,Light ,Chemistry ,Protein Conformation ,Analytical chemistry ,Temperature ,Photosystem II Protein Complex ,Spectrometry, X-Ray Emission ,Water ,Electrons ,Oxides ,Electronic structure ,Crystallography, X-Ray ,Cyanobacteria ,Article ,Dark state ,Manganese Compounds ,X-Ray Diffraction ,X-ray crystallography ,Femtosecond ,Emission spectrum ,Oxidation-Reduction - Abstract
One Protein, Two Probes A central challenge in the use of x-ray diffraction to characterize macromolecular structure is the propensity of the high-energy radiation to damage the sample during data collection. Recently, a powerful accelerator-based, ultrafast x-ray laser source has been used to determine the geometric structures of small protein crystals too fragile for conventional diffraction techniques. Kern et al. (p. 491 , published online 14 February) now pair this method with concurrent x-ray emission spectroscopy to probe electronic structure, as well as geometry, and were able to characterize the metal oxidation states in the oxygen-evolving complex within photosystem II crystals, while simultaneously verifying the surrounding protein structure.
- Published
- 2013
38. Delayed Ultrafast X-ray Induced Auger Probing
- Author
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Li Fang, J. White, Brian K. McFarland, Sebastian Schorb, Ryan Coffee, Markus Gühr, William E. White, Alex Aguilar, Melanie Mucke, Th. Schultz, Vladimir S. Petrovic, Raimund Feifel, James M. Glownia, Timur Osipov, Brendan Murphy, J. C. Castagna, Christoph Bostedt, Kelly J. Gaffney, John D. Bozek, P. H. Bucksbaum, Todd J. Martínez, Song Wang, Nora Berrah, M. Swiggers, J. P. Farrell, Ian Tenney, Limor S. Spector, S. Miyabe, Francesco Tarantelli, James P. Cryan, and Adi Natan
- Subjects
Physics ,Instrumentation ,Atomic and Molecular Physics, and Optics ,Astrophysics::High Energy Astrophysical Phenomena ,X-ray ,X-ray optics ,Molecular physics ,Auger ,Molecular dynamics ,Atomic and Molecular Physics ,Ionization ,Physics::Atomic and Molecular Clusters ,Site selective ,Spontaneous emission ,Physics::Atomic Physics ,and Optics ,Physics::Chemical Physics ,Atomic physics ,Ultrashort pulse - Abstract
We present a new method for probing photoexcited molecular dynamics based on the site selective ionization via ultrafast x-rays followed by Auger decay.
- Published
- 2013
39. Probing nucleobase photoprotection with soft x-rays
- Author
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William E. White, Th. Schultz, Melanie Mucke, J. P. Farrell, Brian K. McFarland, Markus Gühr, Todd J. Martínez, Nora Berrah, Justin S. White, Raimund Feifel, Shan X. Wang, John D. Bozek, Shungo Miyabe, Sebastian Schorb, Adi Natan, James M. Glownia, Ryan Coffee, Brendan Murphy, Christoph Bostedt, Francesco Tarantelli, Ian Tenney, James P. Cryan, Timur Osipov, Kelly J. Gaffney, Limor S. Spector, Philip H. Bucksbaum, Vladimir S. Petrovic, and Li Fang
- Subjects
Quantitative Biology::Biomolecules ,Auger effect ,Astrophysics::High Energy Astrophysical Phenomena ,Physics ,QC1-999 ,medicine.disease_cause ,Nucleobase ,Thymine ,Molecular dynamics ,symbols.namesake ,chemistry.chemical_compound ,Physics and Astronomy (all) ,chemistry ,Chemical physics ,Ionization ,Physical Sciences ,symbols ,medicine ,Fysik ,Atomic physics ,Ultrashort pulse ,Excitation ,Ultraviolet - Abstract
Nucleobases absorb strongly in the ultraviolet region, leading to molecular excitation into reactive states. The molecules avoid the photoreactions by funnelling the electronic energy into less reactive states on an ultrafast timescale via non-Born-Oppenheimer dynamics. Current theory on the nucleobase thymine discusses two conflicting pathways for the photoprotective dynamics. We present our first results of our free electron laser based UV-pump soft x-ray-probe study of the photoprotection mechanism of thymine. We use the high spatial sensitivity of the Auger electrons emitted after the soft x-ray pulse induced core ionization. Our transient spetra show two timescales on the order of 200 fs and 5 ps, in agreement with previous (all UV) ultrafast experiments. The timescales appear at different Auger kinetic energies which will help us to decipher the molecular dynamics.
- Published
- 2013
40. A semiempirical study of 2,2′-dichlorodiethyl sulfide SN2 and neighboring group hydrolysis reaction mechanisms in the gas phase and in aqueous solution
- Author
-
William E. White and William H. Donovan
- Subjects
chemistry.chemical_classification ,Reaction mechanism ,Aqueous solution ,Sulfide ,Solvation ,Condensed Matter Physics ,Biochemistry ,Hydrolysis ,chemistry ,Computational chemistry ,Intramolecular force ,SN2 reaction ,Molecular orbital ,Physical and Theoretical Chemistry - Abstract
A PM3 and SM3-PM3 semiempirical molecular orbital study of the 2,2′-dichlorodiethyl sulfide conventional S N 2 and neighboring group hydrolysis reaction mechanisms in the gas phase and in aqueous solution is described. The calculations predict substantially faster reactions in aqueous solution, with the neighboring group mechanism always being preferred. Detailed consideration is given to the geometries, relative energies, and partial atomic charges of all species involved in the reaction mechanisms considered and the extent to which aqueous solvation impacts these quantities. The results are consistent with expectation and with reported calculations concerning the intramolecular S N 2 reaction of 2-chloroethyl methyl sulfide. We also present the lowest energy mustard chlorohydrin structures according to PM3 and AM1 conformational analysis.
- Published
- 1996
41. Molecular Orbital Studies of Methoxy-1,3,5-cycloheptatriene Isomers: Results from Semiempirical, ab Initio, and Density Functional Theory Calculations
- Author
-
William H. Donovan and William E. White
- Subjects
chemistry.chemical_compound ,Chemistry ,Computational chemistry ,Organic Chemistry ,Cyclohexane conformation ,Ab initio ,Cycloheptatriene ,Density functional theory ,Molecular orbital ,SAM1 ,Rotational energy - Abstract
The fully optimized structures and relative energies of all possible methoxy-1,3,5-cycloheptatriene (MCHT) isomers have been determined by semiempirical, ab initio, and density functional theory (DFT) molecular orbital calculations. All methods identify the boat conformation of 1-methoxy-1,3,5-cycloheptatriene as the most stable species in this group of compounds. In order to evaluate boat interconversion barriers, optimizations of the planar isomers were also performed. For comparison purposes, we applied the same computational methodologies to boat and planar conformations of 1,3,5-cycloheptatriene (CHT). Among the semiempirical methods, the SAM1 approximation was found to best reproduce the ab initio and DFT results. Examination of rotational energy profiles allowed for identification of the factors controlling the preferred orientations of the methoxy group in these compounds. The calculations predict that methoxy substitution has little influence on the preferred conformation of the seven-membered ri...
- Published
- 1996
42. Absorption of Ultrashort Laser Pulses by Solid Targets Heated Rapidly to Temperatures 1–1000 eV
- Author
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R. S. Walling, Ronnie Shepherd, Richard E. Stewart, Dwight Price, Richard M. More, Gary Guethlein, and William E. White
- Subjects
Range (particle radiation) ,Materials science ,General Physics and Astronomy ,chemistry.chemical_element ,Plasma ,Laser ,Ray ,law.invention ,chemistry ,law ,Electrical resistivity and conductivity ,Aluminium ,Atomic physics ,Absorption (electromagnetic radiation) ,Intensity (heat transfer) - Abstract
We report measurements of laser absorption for high-contrast ultrashort pulses on a variety of solid targets over an intensity range of ${10}^{13}$ to ${10}^{18}$ W/ ${\mathrm{cm}}^{2}$. These data give an experimental determination of the target energy content and an indirect measure of dense plasma electrical conductivity. Our calculations accurately reproduce the behavior of aluminum targets, while the other materials show signs of additional absorption mechanisms. At high intensity all target materials reach a ``universal plasma mirror'' state and reflect about 90% of the incident light.
- Published
- 1995
43. Matter under extreme conditions experiments at the Linac Coherent Light Source
- Author
-
Alessandra Ravasio, Ying Y. Tsui, Dirk O. Gericke, Eduardo Granados, Alan Fry, Ulf Zastrau, William Schumaker, Jan Vorberger, Eric Galtier, J. B. Hasting, C. Roedel, D. A. Chapman, A. J. MacKinnon, Luke Fletcher, Hae Ja Lee, Chandra Curry, Philip Heimann, Frederico Fiuza, S. Brown, Bob Nagler, E. J. Gamboa, Dominik Kraus, Michael MacDonald, J. B. Kim, P. Sperling, B. Barbrel, William E. White, S. Goede, Roberto Alonso-Mori, Maxence Gauthier, R. Mishra, Siegfried Glenzer, Zhijiang Chen, and Arianna Gleason
- Subjects
Physics ,Thomson scattering ,business.industry ,Dynamic structure factor ,Warm dense matter ,Condensed Matter Physics ,Laser ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,010305 fluids & plasmas ,law.invention ,Optics ,law ,0103 physical sciences ,Light-matter interaction ,State of matter ,Nuclear fusion ,010306 general physics ,Structure factor ,business ,Inertial confinement fusion - Abstract
The matter in extreme conditions end station at the Linac Coherent Light Source (LCLS) is a new tool enabling accurate pump-probe measurements for studying the physical properties of matter in the high-energy density (HED) physics regime. This instrument combines the world's brightest x-ray source, the LCLS x-ray beam, with high-power lasers consisting of two nanosecond Nd:glass laser beams and one short-pulse Ti:sapphire laser. These lasers produce short-lived states of matter with high pressures, high temperatures or high densities with properties that are important for applications in nuclear fusion research, laboratory astrophysics and the development of intense radiation sources. In the first experiments, we have performed highly accurate x-ray diffraction and x-ray Thomson scattering measurements on shock-compressed matter resolving the transition from compressed solid matter to a co-existence regime and into the warm dense matter state. These complex charged-particle systems are dominated by strong correlations and quantum effects. They exist in planetary interiors and laboratory experiments, e.g., during high-power laser interactions with solids or the compression phase of inertial confinement fusion implosions. Applying record peak brightness x-rays resolves the ionic interactions at atomic (Angstrom) scale lengths and measure the static structure factor, which is a key quantity for determining equation of state data and important transport coefficients. Simultaneously, spectrally resolved measurements of plasmon features provide dynamic structure factor information that yield temperature and density with unprecedented precision at micron-scale resolution in dynamic compression experiments. These studies have demonstrated our ability to measure fundamental thermodynamic properties that determine the state of matter in the HED physics regime.
- Published
- 2016
44. A multicenter retrospective study of heterogeneous tissue aggregates obstructing ventricular catheters explanted from patients with hydrocephalus
- Author
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Prashant Hariharan, Jeffrey Sondheimer, Alexandra Petroj, Jacob Gluski, Andrew Jea, William E. Whitehead, Sandeep Sood, Steven D. Ham, Brandon G. Rocque, Neena I. Marupudi, James P. McAllister, David Limbrick, Marc R. Del Bigio, and Carolyn A. Harris
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Hydrocephalus ,Biobank ,Ventriculoperitoneal shunt ,Shunt failure ,Shunt obstruction ,Retrospective cohort ,Neurology. Diseases of the nervous system ,RC346-429 - Abstract
Abstract Background Implantation of ventricular catheters (VCs) to drain cerebrospinal fluid (CSF) is a standard approach to treat hydrocephalus. VCs fail frequently due to tissue obstructing the lumen via the drainage holes. Mechanisms driving obstruction are poorly understood. This study aimed to characterize the histological features of VC obstructions and identify links to clinical factors. Methods 343 VCs with relevant clinical data were collected from five centers. Each hole on the VCs was classified by degree of tissue obstruction after macroscopic analysis. A subgroup of 54 samples was analyzed using immunofluorescent labelling, histology and immunohistochemistry. Results 61.5% of the 343 VCs analyzed had tissue aggregates occluding at least one hole (n = 211) however the vast majority of the holes (70%) showed no tissue aggregates. Mean age at which patients with occluded VCs had their first surgeries (3.25 yrs) was lower than in patients with non-occluded VCs (5.29 yrs, p
- Published
- 2021
- Full Text
- View/download PDF
45. Impact of the volume of the myelomeningocele sac on imaging, prenatal neurosurgery and motor outcomes: a retrospective cohort study
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Romain Corroenne, Amy R. Mehollin-Ray, Rebecca M. Johnson, William E. Whitehead, Jimmy Espinoza, Jonathan Castillo, Heidi Castillo, Gunes Orman, Roopali Donepudi, Thierry A. G. M. Huisman, Ahmed A. Nassr, Michael A. Belfort, Magdalena Sanz Cortes, and Alireza A. Shamshirsaz
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Medicine ,Science - Abstract
Abstract To investigate the association of the myelomeningocele (MMC) volume with prenatal and postnatal motor function (MF) in cases who underwent a prenatal repair. Retrospective cohort study (11/2011 to 03/2019) of 63 patients who underwent a prenatal MMC repair (37 fetoscopic, 26 open-hysterotomy). At referral, measurements of the volume of MMC was performed based on ultrasound scans. A large MMC was defined as greater than the optimal volume threshold (ROC analysis) for the prediction of intact MF at referral (2.7 cc). Prenatal or postnatal intact motor function (S1) was defined as the observation of plantar flexion of the ankle based on ultrasound scan or postnatal examination. 23/63 participants presented a large MMC. Large MMC lesions was associated with an increased risk of having clubfeet by 9.5 times (CI%95[2.1–41.8], p
- Published
- 2021
- Full Text
- View/download PDF
46. Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode
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Johan Hattne, Donald W. Schafer, Pieter Glatzel, Julia Hellmich, Ralf W. Grosse-Kunstleve, Johannes Messinger, Carina Glöckner, Michael J. Bogan, William E. White, Richard J. Gildea, Petrus H. Zwart, Benedikt Lassalle-Kaiser, M. Marvin Seibert, Vittal K. Yachandra, Junko Yano, Uwe Bergmann, Roberto Alonso-Mori, Ryan Herbst, Dimosthenis Sokaras, Christopher J. Kenney, Jan Kern, Garth J. Williams, Hartawan Laksmono, Tsu-Chien Weng, Nicholas K. Sauter, Raymond G. Sierra, Sébastien Boutet, Athina Zouni, Marc Messerschmidt, Philip Hart, Jonas A. Sellberg, A. Miahnahri, Matthew J. Latimer, Sven Herrmann, Alan Fry, Paul D. Adams, Nathaniel Echols, J. Pines, and Rosalie Tran
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Multidisciplinary ,Spin states ,Synchrotron radiation ,Nanotechnology ,02 engineering and technology ,Electronic structure ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Laser ,01 natural sciences ,Molecular physics ,Synchrotron ,0104 chemical sciences ,law.invention ,law ,Femtosecond ,Physical Sciences ,Emission spectrum ,0210 nano-technology ,Spectroscopy - Abstract
The ultrabright femtosecond X-ray pulses provided by X-ray free-electron lasers open capabilities for studying the structure and dynamics of a wide variety of systems beyond what is possible with synchrotron sources. Recently, this “probe-before-destroy” approach has been demonstrated for atomic structure determination by serial X-ray diffraction of microcrystals. There has been the question whether a similar approach can be extended to probe the local electronic structure by X-ray spectroscopy. To address this, we have carried out femtosecond X-ray emission spectroscopy (XES) at the Linac Coherent Light Source using redox-active Mn complexes. XES probes the charge and spin states as well as the ligand environment, critical for understanding the functional role of redox-active metal sites. Kβ 1,3 XES spectra of Mn II and Mn 2 III,IV complexes at room temperature were collected using a wavelength dispersive spectrometer and femtosecond X-ray pulses with an individual dose of up to >100 MGy. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. Our results demonstrate that the intact electronic structure of redox active transition metal compounds in different oxidation states can be characterized with this shot-by-shot method. This opens the door for studying the chemical dynamics of metal catalytic sites by following reactions under functional conditions. The technique can be combined with X-ray diffraction to simultaneously obtain the geometric structure of the overall protein and the local chemistry of active metal sites and is expected to prove valuable for understanding the mechanism of important metalloproteins, such as photosystem II.
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- 2012
47. Spectral encoding based measurement of x-ray/optical relative delay to ~10 fs rms
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Nick Hartmann, Marion Harmand, James M. Glownia, Christoph Bostedt, Henrik T. Lemke, Sebastian Schorb, Sven Toleikis, Marco Cammarrata, Yuantao Ding, Mina R. Bionta, Daniel J. Kane, Doug French, Ryan Coffee, Jacek Krzywinski, William E. White, Steve M. Durbin, David Fritz, Kevin Baker, Matthieu Chollet, Marc Messerschmidt, Diling Zhu, David J. Nicholson, Daniel Ratner, James P. Cryan, Yiping Feng, and Alan Fry
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Physics ,Pulse (signal processing) ,business.industry ,Astrophysics::High Energy Astrophysical Phenomena ,Continuum (design consultancy) ,X-ray ,Physics::Optics ,Laser ,law.invention ,Optics ,Semiconductor ,law ,Chirp ,Optoelectronics ,Thin film ,business ,Root-mean-square deviation - Abstract
A recently demonstrated single-shot measurement of the relative delay between x-ray FEL pulses and optical laser pulses has now been improved to ~10 fs rms error and has successfully been demonstrated for both soft and hard x-ray pulses. It is based on x-ray induced step-like reduction in optical transmissivity of a semiconductor membrane (Si 3 N 4 ). The transmissivity is probed by an optical continuum spanning 450 - 650 nm where spectral chirp provides a mapping of the step in spectrum to the arrival time of the x-ray pulse relative to the optical laser system.
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- 2012
48. Room temperature femtosecond X-ray diffraction of photosystem II microcrystals
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M. Marvin Seibert, Sébastien Boutet, Richard J. Gildea, Marc Messerschmidt, Paul D. Adams, Tsu-Chien Weng, D. DiFiore, Jonas A. Sellberg, Nicholas K. Sauter, Michael J. Bogan, Trevor A. McQueen, Donald W. Schafer, Vittal K. Yachandra, Rosalie Tran, Junko Yano, Uwe Bergmann, Alan Fry, Hartawan Laksmono, Julia Hellmich, Dimosthenis Sokaras, Johannes Messinger, Garth J. Williams, Petrus H. Zwart, Nathaniel Echols, Carina Glöckner, William E. White, Benedikt Lassalle-Kaiser, Raymond G. Sierra, Roberto Alonso-Mori, Pieter Glatzel, Johan Hattne, Athina Zouni, Ralf W. Grosse-Kunstleve, A. Miahnahri, Matthew J. Latimer, and Jan Kern
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Models, Molecular ,Photosystem II ,chemistry.chemical_element ,Manganese ,Oxygen-evolving complex ,Crystallography, X-Ray ,010402 general chemistry ,Photosynthesis ,Photochemistry ,01 natural sciences ,Catalysis ,law.invention ,03 medical and health sciences ,law ,Crystallization ,030304 developmental biology ,0303 health sciences ,Multidisciplinary ,Chemistry ,Photosystem II Protein Complex ,0104 chemical sciences ,Physical Sciences ,Femtosecond ,X-ray crystallography - Abstract
Most of the dioxygen on earth is generated by the oxidation of water by photosystem II (PS II) using light from the sun. This light-driven, four-photon reaction is catalyzed by the Mn 4 CaO 5 cluster located at the lumenal side of PS II. Various X-ray studies have been carried out at cryogenic temperatures to understand the intermediate steps involved in the water oxidation mechanism. However, the necessity for collecting data at room temperature, especially for studying the transient steps during the O–O bond formation, requires the development of new methodologies. In this paper we report room temperature X-ray diffraction data of PS II microcrystals obtained using ultrashort (4 CaO 5 cluster in PS II at room temperature. We show that these data are comparable to those obtained in synchrotron radiation studies as seen by the similarities in the overall structure of the helices, the protein subunits and the location of the various cofactors. This work is, therefore, an important step toward future studies for resolving the structure of the Mn 4 CaO 5 cluster without any damage at room temperature, and of the reaction intermediates of PS II during O–O bond formation.
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- 2012
49. High harmonic probes of inner electron sub-cycle dynamics in molecules
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Philip H. Bucksbaum, Brendan Murphy, William E. White, Limor S. Spector, Markus Gühr, Th. Schultz, Song Wang, Francesco Tarantelli, Kelly J. Gaffney, Ian Tenney, Sebastian Schorb, R. Feifel, John D. Bozek, Todd J. Martínez, R. Coffee, Nora Berrah, J. White, Li Fang, J. P. Farrell, Melanie Mucke, Vladimir S. Petrovic, Brian K. McFarland, James P. Cryan, Adi Natan, James M. Glownia, C. Bostedt, S. Miyabe, and Timur Osipov
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chemistry.chemical_compound ,Auger electron spectroscopy ,Soft x ray ,chemistry ,Photoprotection ,Molecule ,Soft X-rays ,Photochemistry ,Ultrashort pulse ,Thymine ,Nucleobase - Abstract
We present our first results of a UV-pump X-ray-probe study of the photoprotection mechanism of thymine. The experiment used element specific Auger spectroscopy and was carried out at the LCLS.
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- 2012
50. Characterization of short pulse laser-produced plasmas
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William H. Goldstein, S. Gordan, Richard E. Stewart, R. S. Walling, William E. White, Dwight Price, Ronnie Shepherd, and Al Osterheld
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Radiation ,Materials science ,business.industry ,Shell (structure) ,chemistry.chemical_element ,Plasma ,Laser ,Atomic and Molecular Physics, and Optics ,law.invention ,Characterization (materials science) ,X-ray laser ,Optics ,chemistry ,law ,Aluminium ,business ,Porosity ,Porous medium ,Spectroscopy - Abstract
The K -shell emission from porous aluminum targets is used to infer the density and temperature of plasmas created with 800 and 400 nm, 140 fsec laser light. The laser beam is focused to a minimum spot size of 5 μm with 800 nm light and 3 μm with 400 nm light, producing a normal incidence peak intensity of 10 18 W/cm 2 . The effects of design, laser characteristics, and diagnostic needs is discussed.
- Published
- 1994
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