gebhart/patrepeval huggingface dataset:
Assessing the Dependence of 51V Az Value on the Aromatic Ring Orientation of VIVO2+ Pyridine Complexes (2009)

Characterization of V(IV) biomolecules relies strongly on electron paramagnetic resonance (EPR) spectroscopy, particularly the application of the additivity relationship of A(z) values. It has been shown experimentally that the A(z) values of V(IV)O(2+) imidazole species have a critical angular dependence. Density-functional theory (DFT) calculations elucidate the dependence of (51)V A(z) value on the orientation of the aromatic ring in V(IV)O(2+) pyridine complexes, following closely the functional dependence observed for V(IV)O(2+) imidazole species, [A(z)(pyr) = 42.23 + 1.80 x sin(2theta - 90)], with A(z) measured in 10(4) cm(-1). A DFT re-examination of V(IV)O(2+) imidazole complexes gives an equation very similar [A(z)(imid) = 42.35 + 2.34 x sin(2theta - 90)] to that experimentally found. These results generalize the application of the additivity relationship for V(IV)O(2+) complexes containing aromatic nitrogen ligands such as pyridine or imidazole. The increase of the absolute value of A(z), |A(z)|, when the dihedral angle theta between the V=O and N(pyr)-C or N(imid)-C bonds varies from a parallel to a perpendicular orientation is due to an increase of the d vanadium orbital contribution and to a decrease of the pi aromatic system participation in the singly occupied molecular orbital.
[Therapeutic effect of posterior pedicle screw system combined with interbody fusion cage on lumbar spondylolisthesis]. (2007)

Applying the posterior pedicle screw system combined with interbody fusion cage may achieve synergism in the treatment of lumbar vertebral spondylolisthesis. Above procedure is served as solid internal fixation and offers a satisfactory reduction, and can improve the fusion rate of the spine. So it is an ideal procedure and worthily recommended method for treatment of lumbar vertebral spondylolisthesis.
Metal-Water Reactions (1956)

An examination of the reaction between thorium metal and water vapor has been made between 200° and 600°C and at water‐vapor pressures of 25 to 100 mm Hg. Analyses of the products indicate that and H2 are the main species formed during the reaction with formation of as a possible side reaction product. Two methods, one gravimetric and the other manometric, were used to determine rates of reaction. During these rate studies, the variables time, temperature, and pressure were examined. Reaction data were found to obey the logarithmic rate law . The activation energy was found to have an average value of . From marker experiments it is postulated that inward diffusion of water molecules or a related species is the rate‐determining step of the reaction. Other experiments showed that hydrogen diffused into the metal in varying amounts depending on temperature and water‐vapor pressure. This hydrogen was evolved when the samples were heated under high vacuum to 1200°C.
Immunoglobulin synthesis in the human myeloma cell line U‐266; expression of two immunoglobulin heavy chain isotypes (ϵ and α) after long‐term cultivation in vitro (1988)

A human IgE-producing myeloma has been cultivated in vitro as a continuous cell line (U-266) since 1968. Analysis of immunoglobulin production during early passages of the cell line demonstrated a high synthesis rate of monoclonal IgE. Analysis of late passages, cultivated after 1980, revealed a 3-6-fold lower rate of IgE secretion. This decrease was accompanied by the appearance of small amounts of IgA in the culture medium together with IgE. RNA was extracted from a late passage of U-266 and analyzed by Northern blotting, using epsilon and alpha-specific oligonucleotides as hybridization probes. The results showed the presence of epsilon as well as alpha-specific mRNA. Moreover the results demonstrated that the latter mRNA was derived from the alpha 2 locus and that the epsilon and the alpha 2-specific mRNA contained the same V region sequences. Southern blot analysis of DNA from the late passage of the U-266 cell line failed to reveal a recombinatory switch from the epsilon locus to the alpha 2 locus. The expression of alpha 2 is thus likely to be caused by differential splicing rather than by an isotype switch at the DNA level.
Macromolecular Binding of14C- or3H-Cortisol in Thymus Supernatant Fractionin Vivoand in an Explant Systemin Vitro1 (1972)

Accumulation of 3H-cortisol in the thymus after intraperitoneal injection is low, and reaches a maximum within 15 minutes when about 0.2 percent of the radioactive dose is present at 1 nM in the gland. There is extensive binding of cortisol radioactivity in the soluble fraction at 2 to 15 minutes after injection of the radioactive material. Sixty to 85 percent of radioactivity of the soluble fraction is bound as measured by ultrafiltration. After 15 minutes the extent of binding decreases slowly. Decay of bound radioactivity in vivo is first order and has a half-life of about 80 min. The steroid appears to be bound to a protein (s) whose binding capacity is destroyed by trypsin but not by lipase, RNase, DNase or neuraminidase. The binder is relatively unstable to gel filtration. Binding is temperature-sensitive and the extent of binding in a given sample decreases, nearly linearly, from 60 to 80% at 0° to less than 20% at 50°C. The radioactive material in this fraction appears to be primarily unmetabolized cortisol. Binding of radioactive cortisol in vivo can be prevented almost completely by simultaneous administration of unlabeled cortisol or completely by corticosterone, partially by deoxycorticosterone and cortexolone and to a small extent by progesterone. Testosterone, estradiol-17β, pregnenolone and three fluorinated glucocorticoids are without effect. In vitro studies have been carried out in a whole thymus explant system. The accumulation of radioisotopic material in this system is 10 fold greater than observed in vivo although the extent and specificity of binding is the same as that observed in vivo. Studies of steroid binding in vitro and with separated thymus cells suggest the presence of an extracellular binding factor. (Endocrinology 90: 1600, 1972)
The Reaction of Allylsodium with 2-Bromoöctane1 (1948)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Reaction of Allylsodium with 2-Bromoöctane1R. L. Letsinger and James G. TraynhamCite this: J. Am. Chem. Soc. 1948, 70, 10, 3342–3344Publication Date (Print):October 1, 1948Publication History Published online1 May 2002Published inissue 1 October 1948https://doi.org/10.1021/ja01190a036RIGHTS & PERMISSIONSArticle Views106Altmetric-Citations22LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (394 KB) Get e-Alertsclose Get e-Alerts
A clinical, proteomics, and artificial intelligence‐driven model to predict acute kidney injury in patients undergoing coronary angiography (2018)

We describe a clinical and proteomics-supported biomarker model with high accuracy for predicting procedural AKI in patients undergoing coronary angiography.
I&EC Research: Raising the Bar and Picking up the Pace (2016)

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTI&EC Research: Raising the Bar and Picking up the PacePhillip E. SavageView Author Information The Pennsylvania State UniversityCite this: Ind. Eng. Chem. Res. 2016, 55, 1, 1–2Publication Date (Web):January 13, 2016Publication History Published online13 January 2016Published inissue 13 January 2016https://pubs.acs.org/doi/10.1021/acs.iecr.5b04805https://doi.org/10.1021/acs.iecr.5b04805editorialACS PublicationsCopyright © 2016 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views561Altmetric-Citations5LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (127 KB) Get e-AlertscloseSUBJECTS:Chemical engineering and industrial chemistry,Materials,Oxidation Get e-Alerts
Evidence for B-0 -> D+D- and observation of B-->(DD-)-D-0 and B-->(DD*-)-D-0 decays (2005)

We report evidence for B-0 -> D+D- and the first observation of the decay modes B-->(DD-)-D-0 and B-->(DD*-)-D-0 based on a sample of 152x10(6) B (B) over bar events collected by the Belle detector at KEKB. The branching fractions for B-0 -> D+D-, B-->(DD-)-D-0, and B-->(DD*-)-D-0 are found to be (1.91 +/- 0.51 +/- 0.30)x10(-4), (4.83 +/- 0.78 +/- 0.58)x10(-4), and (4.57 +/- 0.71 +/- 0.56)x10(-4), respectively. Charge asymmetries in the B-->(DD-)-D-0 and B-->(DD*-)-D-0 channels are consistent with zero.
Antimicrobial activity of poly(propylene imine) dendrimers (2012)

Poly(propylene imine) dendrimers have been investigated for their biological applications but their antibacterial activity has not been extensively explored. Thus, the fourth generation of poly(propylene imine) dendrimers (PPI-G4) and PPI dendrimers with a surface modified by attaching maltose in 25% and 100% (PPI-25%mG4 and PPI-100%mG4, respectively) was evaluated for the antibacterial activity against Gram-positive bacteria: Staphylococcus aureus ATCC 6538, Staphylococcus epidermidis ATCC 12228, Gram-negative bacteria: Escherichia coli ATCC 25922, Pseudomonas aeruginosa ATCC 15442 and yeast Candida albicans ATCC 10231. Cytotoxicity of all tested dendrimers was checked on a Chinese hamster fibroblast cell line (B14), human liver hepatocellular carcinoma cell line (HepG2), mouse neuroblastoma cell line (N2a) and rat liver cell line (BRL-3A). The obtained results indicate that studied nano-sized macromolecules possess the greatest antimicrobial activity against S. aureus. PPI G4 dendrimers modified with 25% of maltose display antibacterial activity and a striking selectivity toward S. aureus, at the concentrations, which are at the same time harmless for the eukaryotic cell lines. Moreover, at the higher concentrations of unmodified dendrimers efficient growth inhibition of S. epidermidis and C. albicans has been observed.
Observation of risk factors, clinical manifestations and genetic characterization of recent Newcastle Disease Virus outbreak in West Malaysia (2015)

In conclusion, no new NDV genotype was isolated from the 2011 NDV outbreak. This study suggests that the presence of other immunosuppressive agents such as IBD and MDV could have contributed to the dysfunction of the immune system of the chickens, causing severe NDV outbreaks in 2011. Risk factors related to biosecurity and farm practices appear to have a significant role in the severity of the disease observed in affected farms.
New Chemical Entities Entering Phase III Trials in 2017 (2018)

Medicinal Chemistry Reviews is an outstanding 680 page volume providing timely and critical reviews of important topics in medicinal chemistry. It is provided free of charge to MEDI members in electronic format. Members can also order a print copy, for the cost of printing, shipping and handling
Genetic analysis of 20 patients with hypomyelinating leukodystrophy by trio-based whole-exome sequencing (2021)

Hypomyelinating leukodystrophies (HLDs) are a rare group of disorders characterized by myelin deficit of the brain-based on MRI. Here, we studied 20 patients with unexplained HLD to uncover their genetic etiology through whole-exome sequencing (WES). Trio-based WES was performed for 20 unresolved HLDs families after genetic tests for the PLP1 duplication and a panel of 115 known leukodystrophy-related genes. Variants in both known genes that related to HLDs and promising candidate genes were analyzed. Minigene splicing assay was conducted to confirm the effect of splice region variant. All 20 patients were diagnosed with HLDs clinically based on myelin deficit on MRI and impaired motor ability. Through WES, in 11 of 20 trios, 15 causative variants were detected in seven genes TUBB4A, POLR1C, POLR3A, SOX10, TMEM106B, DEGS1, and TMEM63A. The last three genes have just been discovered. Of 15 variants, six were novel. Using minigene splicing assay, splice variant POLR3A c.1770 + 5 G > C was proved to disrupt the normal splicing of intron 13 and led to a premature stop codon at position 618 (p.(P591Vfs*28)). Our analysis determined the molecular diagnosis of 11 HLDs patients. It emphasizes the heterogenicity of HLDs, the diagnostic power of trio-based WES for HLDs. Comprehensive analysis including a focus on candidate genes helps to discover novel disease-causing genes, determine the diagnosis for the first time, and improve the yield of WES. Moreover, novel mutations identified in TUBB4A, POLR3A, and POLR1C expand the mutation spectrum of these genes.
Isolation and spectroscopic characterisation of C60F17CF2CF3 and isomers of C60F17CF3; insertion of :CF2 into fluorofullerene C–F bonds (2000)

The perfluoroalkylfluoro[60]fullerenes C60F17CF2CF3 (Cs) and three isomers of C60F17CF3 [Cs (major, 65%), enantiomeric C1 pair (minor, 35%)] have been separated by HPLC from the many products obtained by fluorination of [60]fullerene by K2PtF6 at ca. 465 °C. They have been characterised by 19F NMR spectroscopy, and for the trifluoromethyl compound, by single crystal X-ray structure determination. The trifluoromethyl compound shows either extremely weak or no resonances for the CF3 group in the 19F NMR spectrum, which led to an earlier misidentification of the major isomer in this compound as a CF2 derivative. Isolation of these compounds indicates that trifluoromethyl compounds are formed under these conditions by insertion of :CF2 groups (from fragmentation of other fluorinated fullerene cages) into C–F bonds.
Characterization of human serum amyloid A protein isoforms separated by two‐dimensional electrophoresis by liquid chromatography/electrospray ionization tandem mass spectrometry (1996)

A detailed structural analysis of the serum amyloid A proteins (SAA) of an individual with highly active, chronic rheumatoid arthritis is reported. SAA isoforms were separated by high-resolution two dimensional (2-D) gel electrophoresis. Peptide mapping by reverse-phase chromatography/electrospray ionization tandem mass spectrometry was applied to correlate the protein(s) contained in each spot with their respective coding gene and to study the post-translational processing and modification events which might result in differential electrophoretic mobility. Nine protein spots were analyzed. The six major spots corresponded to the Arg and des-Arg forms of SAA1 alpha and SAA2 alpha, respectively, and to the glycosylated and nonglycosylated form of constitutive serum amyloid A protein (C-SAA). Two minor spots were identified as SAA1 alpha isoforms containing post-translational modifications. We suggest that these variants contained a gamma-N, N'-dimethylasparagine residue at position 83 and that one of them was additionally oxidized at Trp53 and Trp85. The ninth spot was shown to contain a mixture of SAA1 alpha and SAA2 alpha. To our knowledge, this is the first report in which analysis of peptides has been used to verify the presence of C-SAA in acute-phase serum. Furthermore, the data illustrate that extensive post-translational processing results in a structurally diverse class of acute-phase SAA proteins, which are derived from a small number of genes. Finally, the fast and conclusive technology used in this study promises to be generally useful for the comprehensive investigation of proteins at the level of the primary structure.
Probabilistic robust anti-disturbance control of uncertain systems (2020)

<p style='text-indent:20px;'>We propose a novel method for constructing probabilistic robust disturbance rejection control for uncertain systems in which a scenario optimization method is used to deal with the nonlinear and unbounded uncertainties. For anti-disturbance, a reduced order disturbance observer is considered and a state-feedback controller is designed. Sufficient conditions are presented to ensure that the resulting closed-loop system is stable and a prescribed <inline-formula><tex-math id="M1">\begin{document}$ H_{\infty} $\end{document}</tex-math></inline-formula> performance index is satisfied. A numerical example is presented to illustrate the effectiveness of the techniques proposed and analyzed.
ChemInform Abstract: Cationic Cyclizations and Rearrangements Promoted by a Heterogeneous Gold Catalyst. (2014)

Abstract The catalyst is effective for different types of cationic reactions, including Nazarov cyclizations, lactonizations, and [1,2] shifts.
Attentional Activation of the Cerebellum Independent of Motor Involvement (1997)

The cerebellum traditionally has been viewed as a neural device dedicated to motor control. Although recent evidence shows that it is involved in nonmotor operations as well, an important question is whether this involvement is independent of motor control and motor guidance. Functional magnetic resonance imaging was used to demonstrate that attention and motor performance independently activate distinct cerebellar regions. These findings support a broader concept of cerebellar function, in which the cerebellum is involved in diverse cognitive and noncognitive neurobehavioral systems, including the attention and motor systems, in order to anticipate imminent information acquisition, analysis, or action.
Influence of blood pressure on pneumonia risk: Epidemiological association and Mendelian randomisation in the UK Biobank (2020)

Abstract Objectives To determine whether elevated blood pressure influences risk for respiratory infection. Design Prospective, population-based epidemiological and Mendelian randomisation studies. Setting UK Biobank. Participants 377,143 self-identified British descent (54% women; median age 58 years) participants in the UK Biobank. Main outcome measures First incident pneumonia over an average of 8 follow-up years. Results 107,310 (30%) participants had hypertension at UK Biobank enrolment, and 9,969 (3%) developed a pneumonia during follow-up. Prevalent hypertension at baseline was significantly associated with increased risk for incident respiratory disease including pneumonia (hazard ratio 1.36 (95% confidence interval 1.29 to 1.43), P&lt;0.001), acute respiratory distress syndrome or respiratory failure (1.43 (1.29 to 1.59), P&lt;0.001), and chronic lower respiratory disease (1.30 (1.25 to 1.36), P&lt;0.001), independent of age, age 2 , sex, smoking status, BMI, prevalent diabetes mellitus, prevalent coronary artery disease, and principal components of ancestry. Mendelian randomisation analyses indicated that genetic predisposition to a 5 mmHg increase in blood pressure was associated with increased risk of incident pneumonia for SBP (1.08, (1.04 to 1.13), P&lt;0.001) and DBP (1.11 (1.03 to 1.20), P=0.005). Additionally, consistent with epidemiologic associations, increase in blood pressure genetic risk was significantly associated with reduced forced expiratory volume in the first second, forced vital capacity, and the ratio of the two (P&lt;0.001 for all). Conclusions These results strongly suggest that elevated blood pressure independently increases risk for pneumonia and reduces pulmonary function. Maintaining adequate blood pressure control, in addition to other measures, may reduce risk for pneumonia. Whether the present findings are generalizable to novel coronavirus disease 2019 (COVID-19) require further study. Summary Box Section 1: What is already known on this topic Hypertension has been associated with pneumonia in small observational studies. Based on early epidemiologic analyses, hypertension is described as a risk factor for SARS-CoV-2 infection and associated novel coronavirus disease 2019 (COVID-19). The influence of hypertension on pneumonia risk is difficult to assess in traditional observational studies. Section 2: What this study adds Our pre-COVID-19 analyses are consistent with a causal relationship between increased blood pressure and increased risk for incident respiratory infections, as well as between increased blood pressure and reduced pulmonary function. These results support hypertension as a pneumonia risk factor; efforts to optimize blood pressure may reduce risk for pneumonia.
QWIP infrared detector production line results (2012)

Since 1997, Sofradir has been working with Thales Research & Technologies (TRT) to develop and produce Quantum Well Infrared Photodetectors (QWIP) as a complementary offer with Mercury Cadmium Telluride (MCT) Long Wave (LW) detectors, to provide large LW staring arrays. Thanks to the low dark current technology developed by TRT, the QWIP detectors can be operated at FPA temperature above 73K, enabling the production of compact Infrared (IR) cameras thanks to the use of compact microcoolers. The TV/2 VEGA-LW detector (25&#956;m pitch 384×288 Integrated Detector Dewar Assembly (IDDCA)) is integrated in the Catherine-XP thermal imager from Thales Optronique SA (TOSA). To date, more than one thousand units have been manufactured. The TV SIRIUS-LW detector (20&#956;m pitch 640×512 IDDCA) is integrated in the Catherine-MP thermal imager from Thales Optronics Ltd. (TOL). To date, several hundreds of units have been manufactured. We will discuss in this paper statistical results of these productions and our latest reliability study results, which highlight the stability of the TRT QWIP technology. Thanks to this mature technology, TRT and Sofradir have been able to increase the QWIP wafer size from 3 inches to 4 inches, without any impact on yields and FPA performances. A dual-band Mid Wave-Long Wave (MW-LW) QWIP detector (25&#956;m pitch 384×288 IDDCA) is currently under development. We will present in this paper its latest results.