Search

Saccharomyces cerevisiae is the organism of choice for many food and beverage fermentations because it thrives in high-sugar and high-ethanol conditions. However, the conditions encountered in bioethanol fermentation pose specific challenges, including extremely high sugar and ethanol concentrations, high temperature, and the presence of specific toxic compounds. It is generally considered that exploring the natural biodiversity of Saccharomyces strains may be an interesting route to find superior bioethanol strains and may also improve our understanding of the challenges faced by yeast cells during bioethanol fermentation. In this study, we phenotypically evaluated a large collection of diverse Saccharomyces strains on six selective traits relevant for bioethanol production with increasing stress intensity. Our results demonstrate a remarkably large phenotypic diversity among different Saccharomyces species and among S. cerevisiae strains from different origins. Currently applied bioethanol strains showed a high tolerance to many of these relevant traits, but several other natural and industrial S. cerevisiae strains outcompeted the bioethanol strains for specific traits. These multitolerant strains performed well in fermentation experiments mimicking industrial bioethanol production. Together, our results illustrate the potential of phenotyping the natural biodiversity of yeasts to find superior industrial strains that may be used in bioethanol production or can be used as a basis for further strain improvement through genetic engineering, experimental evolution, or breeding. Additionally, our study provides a basis for new insights into the relationships between tolerance to different stressors.

Objective: Transarterial chemoembolization is a widely used therapy for the treatment of hepatocellular carcinoma. A rare adverse event is acute respiratory distress syndrome from pulmonary embolization of Lipiodol, an iodinated oil commonly used during the procedure. The objective of this report is to describe an atypical case of acute respiratory distress syndrome from Lipiodol embolization in a patient who underwent transarterial chemoembolization for hepatocellular carcinoma 9 days prior to presentation, despite having received relatively small amounts of Lipiodol (5.5 mL). Although this diagnosis has classically been based on radiological findings, we established a diagnosis after lipid-laden macrophages were detected in bronchial alveolar lavage fluid., Design: Case report., Setting: ICU of a major metropolitan academic medical center., Patients: Single case., Interventions: Diagnostic interventions included noncontrast CT scan of the chest and cytologic examination of bronchial alveolar lavage fluid with oil red O staining. Therapeutic interventions included mechanical ventilation and methylprednisolone infusions., Measurements and Main Results: Noncontrast CT demonstrated nonspecific diffuse ground glass opacification, most prominent within the upper lobes. Mechanical ventilation was begun for hypoxemic respiratory failure. Cytologic examination of bronchial alveolar lavage fluid revealed a high proportion of lipid-laden macrophages, findings consistent with Lipiodol embolism. Despite infusions of methylprednisolone, the patient expired on hospital day 8., Conclusions: Acute respiratory distress syndrome from Lipiodol embolization following transarterial chemoembolization can occur even with small Lipiodol volumes. Cytologic examination of bronchial alveolar lavage fluid with oil red O staining is a useful diagnostic modality, especially when imaging studies are equivocal.

Molecular structure in optimum geometry and vibrational frequencies of pentafulvalene [bicyclopentyliden-2,4,2',4'-tetraene], tetrathiafulvalene [2,2'-bis(1,3-dithiolylidene)] and its cation are calculated. All the calculations are carried out by employing density functional theory incorporated with a suitable basis set. Normal coordinate analysis is also employed to scale the DFT calculated frequencies and to calculate potential energy distributions. The molecular structures and vibrational frequencies are compared for both the pentafulvalene and tetrathiafulvalene molecules. The effect upon geometry and vibrational frequencies of TTF due to charge transfer has also been studied. The vibrational partition function and hence, the thermodynamical properties, such as Helmholtz free energy, entropy, specific heat at constant volume and enthalpy are also calculated and compared for the title molecules. The reason of conductivity of tetrathiafulvalene has been tried to explain on the basis of molecular geometry and normal modes. Study of vibrational partition function exhibits that below 109 K, PFV starts to condense., (Copyright © 2013 Elsevier B.V. All rights reserved.)

Vibrational spectroscopic study has been made for the serotonin molecule and its deprotonated form. The Infrared and Raman spectra in optimum geometry of these two molecules are calculated using density functional theorem and the normal modes are assigned using potential energy distributions (PEDs) which are calculated using normal coordinate analysis method. The vibrational frequencies of these two molecules are reported and a comparison has been made. The effect of removal of the hydrogen atom from the serotonin molecule upon its geometry and vibrational frequencies are studied. Electronic structures of these two molecules are also studied using natural bond orbital (NBO) analysis. Theoretical Raman spectrum of serotonin at different exciting laser frequencies and at different temperatures are obtained and the results are discussed. Present study reveals that some wrong assignments had been made for serotonin molecule in earlier study., (Copyright © 2013 Elsevier B.V. All rights reserved.)

The theoretical IR and Raman spectra of the 2,3,4-, 2,3,6-, 2,4,5- and 3,4,5-tri-fluorobenzonitrile molecules have been calculated by using the density functional method in the ground state. The rigorous normal coordinate analyses based upon both an empirical force field and quantum chemical calculations have been performed and the detailed vibrational assignment has been made on the basis of the calculated potential energy distributions (PEDs). A comparison of molecular geometries, atomic charges and vibrational fundamentals of these molecules has been reported. The effects of fluorination upon the geometries, atomic charges and vibrational frequencies of benzonitrile have been discussed. Several ambiguities and contradictions in the previously reported vibrational assignments have been clarified. In addition, the variation of Raman intensity with excitation frequency and with temperature has also been studied., (Copyright © 2011 Elsevier B.V. All rights reserved.)

Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid molecule have been recorded in the regions 50-4000cm⁻¹ and 400-4000cm⁻¹, respectively. Vibrational frequencies have been calculated by employing DFT method in dimeric form in optimum state. SQM force field has also been used to calculate potential energy distributions in order to make conspicuous vibrational assignments. Raman activities calculated by DFT method have been converted to the corresponding Raman intensities using Raman scattering theory. Optimized bond lengths and angles of the title molecule have been interpreted and compared with the earlier reported experimental values for benzoic acid and some mono and di-fluorinated benzoic acids. Some of the vibrational frequencies of the title molecule are effected upon profusely with the fluorine substitutions in comparison to benzoic acid and these differences have been interpreted. The strong doubly hydrogen-bonded interface of the dimerized system is well demonstrated by the red shift in OH stretching frequency concomitant with the elongation of bond length., (Copyright © 2010 Elsevier B.V. All rights reserved.)

Raman and FTIR spectra for 2,3,4-tri-fluoro-benzoic acid molecules have been recorded in the regions 50-4000 cm(-1) and 400-4000 cm(-1) respectively. The geometrical parameters have been optimized in both the monomeric and dimeric forms while vibrational frequencies have been calculated in optimum state in the dimeric form by employing DFT method. SQM force fields have also been used to calculate potential energy distributions in order to make conspicuous vibrational assignments. Raman activities calculated by DFT method have been converted to the corresponding Raman intensities using Raman scattering theory. Optimized geometries of the molecule have been interpreted and compared with the earlier reported experimental values for benzoic acid and some mono and di-fluorinated benzoic acids. Some of the vibrational frequencies of the title molecule are effected upon profusely with the fluorine substitutions in comparison to benzoic acid and these differences have been interpreted. The strong doubly hydrogen-bonded interface of the dimerized system is well demonstrated by the red shift in OH stretching frequency concomitant with the elongation of bond length.

When analyzing thousands of event histories, analysts often want to see the events as an aggregate to detect insights and generate new hypotheses about the data. An analysis tool must emphasize both the prevalence and the temporal ordering of these events. Additionally, the analysis tool must also support flexible comparisons to allow analysts to gather visual evidence. In a previous work, we introduced align, rank, and filter (ARF) to accentuate temporal ordering. In this paper, we present temporal summaries, an interactive visualization technique that highlights the prevalence of event occurrences. Temporal summaries dynamically aggregate events in multiple granularities (year, month, week, day, hour, etc.) for the purpose of spotting trends over time and comparing several groups of records. They provide affordances for analysts to perform temporal range filters. We demonstrate the applicability of this approach in two extensive case studies with analysts who applied temporal summaries to search, filter, and look for patterns in electronic health records and academic records.

FTIR and Raman spectra of the 2,4,5- and 2,4,6-tri-fluoroaniline molecules have been reported. Density functional method has been employed to calculate the optimized geometrical parameters, atomic charges and vibrational frequencies. In addition, SQM force field method has also been employed to calculate potential energy distribution matrix. The observed and calculated IR and Raman spectra have been simulated. Each normal mode has been assigned using observed and calculated vibrational frequencies, IR and Raman intensities, depolarization ratios for the Raman lines, vector displacements and potential energy distributions. Optimized geometrical parameters, atomic charges and vibrational frequencies have been compared for the title molecules. The influences of presence of fluorine atoms to the geometries and normal modes of the aniline molecule have also been discussed.

Raman and FTIR spectra for 2,3,4- and 2,3,6-tri-fluoro-aniline molecules have been recorded in the wavenumber regions 50-4000 and 400-4000 cm(-1) respectively. Measurement of depolarization ratios for the Raman lines for both the molecules has also been made. The HF with the basis set 6-31++G(d,p) and DFT with the basis sets 6-31++G(d,p) and 6-311++G(d,p) have been employed to carry out the molecular geometries, atomic charges and vibrational frequencies along with their IR and Raman intensities. Normal coordinate analysis method has also been employed to carry out the potential energy distributions (PEDs). The assignment of each normal mode has been made using observed and calculated frequencies, their IR and Raman intensities, depolarization ratios for the Raman lines and PEDs. The influences of fluorine atoms towards the geometries and normal modes of the aniline molecule have been discussed.

Raman and FTIR spectra of 2,4,5- and 3,4,5-tri-fluoro-benzonitriles have been recorded in the regions 50-4000 cm(-1) and 400-4000 cm(-1), respectively. Measurement of depolarization ratios for the Raman lines has also been made. Optimized geometrical parameters, charge distributions and vibrational wavenumbers were calculated using ab initio quantum chemical Gaussian 03, Revision C.02 software. Each vibration has been assigned using observed wavenumbers in the IR and Raman spectra and their relative intensities which measured by normalizing the highest intensity, depolarization ratios of the Raman lines, the calculated frequencies and vector displacements with the help of GaussView software.

Epilepsy partialis continua is an uncommon, localisation-related, seizure characterised by simple partial motor seizures with repetitive clonic jerks. A case of type I diabetes mellitus in a child who had presented with epilepsy partialis continua is presented. Antiglutamic acid decarboxylase 65 antibodies were found in his serum. Seizures were eventually controlled by anti-epileptic drugs, insulin and IV gamma.

Force field calculations have been carried out for the planar and non-planar modes of pyrazine-N,N'-O2 using the observed vibrational frequencies obtained from the IR and Raman spectral studies on pyrazine-N,N'-O2-h4 and pyrazine-N,N'-O2-d4 reported in the literature [D.A. Thornton, P.F.M. Verhoeven, G.M. Watkins, Herman O. Desseyn, Benjamin J. Van der Veken, Spectrochim. Acta 46A (1990) 1439]. The purpose of the present work is to determine force fields for the pyrazine-N,N'-O2 molecule and to present vibrational assignments for the observed IR and Raman frequencies to the fundamental modes, combination bands and overtones. The planar force field determined in the present case is expected to be better than that reported earlier [S. Szöke, G. Varsanyi, E. Baitz, Acta Chim. 53 (1967) 345] because of the inclusion of the observed frequencies due to pyrazine-N,N'-O2-d4 isotopomer. In addition, the non-planar force field for this molecule is reported for the first time.