gebhart/patrepeval huggingface dataset:
Analgesics. 2. Selected 5-substituted 5-(1-phenylethyl)barbituric acids (1974)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAnalgesics. 2. Selected 5-substituted 5-(1-phenylethyl)barbituric acidsJulius A. Vida, Carlos M. Samour, Mary H. O'Dea, Theodore S. T. Wang, and John F. ReinhardCite this: J. Med. Chem. 1974, 17, 11, 1194–1197Publication Date (Print):November 1, 1974Publication History Published online1 May 2002Published inissue 1 November 1974https://pubs.acs.org/doi/10.1021/jm00257a013https://doi.org/10.1021/jm00257a013research-articleACS PublicationsRequest reuse permissionsArticle Views228Altmetric-Citations9LEARN 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 Other access optionsGet e-Alertsclose Get e-Alerts
The shape of molecular charge distributions: Group theory without symmetry (1987)

Abstract A group theoretical framework is proposed for a detailed characterization of the shapes of electronic charge distributions of general, asymmetric molecules. The proposed shape groups are the homology and cohomology groups of charge density contour surfaces. These shape groups depend on two real parameters, the charge density value a for the contour and a curvature parameter b . The two‐parameter family of various homology groups and cohomology groups of charge density contour surfaces is independent of the symmetry properties of the molecules and gives a concise description of the dominant shape characteristics. For any fixed parameter value b these groups may change only at specific charge density values, characteristic to the given molecule. On the other hand, for a fixed‐charge density contour the group changes induced by a change in the curvature parameter b provide a description of the fine details of the shape of the electron density. The changes in the structure of these groups follow strict algebraic relations, that provide a quantitative measure for shape‐similarity between various molecules. The two‐parameter shape group method is an extension of an earlier method proposed for biochemical applications.
Vaccinia Virus F12L Protein Is Required for Actin Tail Formation, Normal Plaque Size, and Virulence (2000)

Vaccinia virus gene F12L is shown to encode a 65-kDa protein that is synthesized early and late during infection and that is not modified by glycosylation. Computational sequence comparison revealed that related proteins are encoded by all sequenced chordopoxviruses. A virus deletion mutant lacking the F12L gene (vDeltaF12L) and a revertant virus with the F12L gene reinserted into the deletion mutant (vF12L-rev) were constructed and analyzed. A version of the F12L gene with a C-terminal amino acid tag derived from the influenza virus hemagglutinin and that is recognized by a monoclonal antibody was also inserted into the F12L locus of vDeltaF12L. Loss of the F12L protein reduced the formation of IMV 2-fold, but there was a dramatic (99.5%) reduction in actin tail formation, and the levels of cell-associated enveloped virus and extracellular enveloped virus were reduced 8- to 11-fold and 7-fold, respectively. Consistent with the lack of actin tail formation, vDeltaF12L produced a very small plaque. The vDeltaF12L virus was severely attenuated in vivo, such that a dose of vDeltaF12L 10,000-fold greater than the dose of wild-type virus that induced severe disease was unable to induce disease in mice infected intranasally.
Substrate Specificity of MarP, a Periplasmic Protease Required for Resistance to Acid and Oxidative Stress in Mycobacterium tuberculosis (2013)

The transmembrane serine protease MarP is important for pH homeostasis in Mycobacterium tuberculosis (Mtb). Previous structural studies revealed that MarP contains a chymotrypsin fold and a disulfide bond that stabilizes the protease active site in the substrate-bound conformation. Here, we determined that MarP is located in the Mtb periplasm and showed that this localization is essential for function. Using the recombinant protease domain of MarP, we identified its substrate specificity using two independent assays: positional-scanning synthetic combinatorial library profiling and multiplex substrate profiling by mass spectrometry. These methods revealed that MarP prefers bulky residues at P4, tryptophan or leucine at P2, arginine or hydrophobic residues at P1, and alanine or asparagine at P1'. Guided by these data, we designed fluorogenic peptide substrates and characterized the kinetic properties of MarP. Finally, we tested the impact of mutating MarP cysteine residues on the peptidolytic activity of recombinant MarP and its ability to complement phenotypes of Mtb ΔMarP. Taken together, our studies provide insight into the enzymatic properties of MarP, its substrate preference, and the importance of its transmembrane helices and disulfide bond.
Affinity purification and chemical analysis of the interleukin-1 receptor. (1988)

Interleukins-1 alpha and -1 beta regulate the metabolism of cells through a common plasma membrane receptor protein. In this study, it is demonstrated that the interleukin-1 (IL-1) receptor from detergent solutions of EL-4 cells can be stably adsorbed to nitrocellulose with full retention of IL-1 binding activity. This assay system was used to monitor the purification of the IL-1 receptor and to investigate the effects of several chemical modifications on receptor binding activity. IL-1 receptors extracted from EL-4 6.1 C10 cells can be bound to and specifically eluted from IL-1 alpha coupled to Sepharose. The affinity chromatography method resulted in the identification by polyacrylamide gel electrophoresis and silver staining of a protein of Mr 82,000 that was present in fractions exhibiting IL-1 binding activity. Experiments in which the cell-surface proteins of EL-4 cells were radiolabeled and 125I-labeled receptor was purified by affinity chromatography suggested that the Mr 82,000 protein was expressed on the plasma membrane. N-Glycanase treatment of this material showed that 23-35% of the total Mr (82,000) of the receptor is N-linked carbohydrate.
Innate protection conferred by fucosylated oligosaccharides of human milk against diarrhea in breastfed infants (2003)

To test the hypothesis that human milk fucosyloligosaccharides are part of an innate immune system, we addressed whether their expression (1) depends on maternal genotype and (2) protects breastfed infants from pathogens. Thus the relationship between maternal Lewis blood group type and milk oligosaccharide expression and between variable oligosaccharide expression and risk of diarrhea in their infants was studied in a cohort of 93 Mexican breastfeeding mother-infant pairs. Milk of the 67 Le(a-b+) mothers contained more LNF-II (Le(a)) and 3-FL (Le(x)) (oligosaccharides whose fucose is exclusively alpha 1,3- or alpha 1,4-linked) than milk from the 24 Le(a-b-) mothers; milk from Le(a-b-) mothers contained more LNF-I (H-1) and 2'-FL (H-2), whose fucose is exclusively alpha 1,2-linked. The pattern of oligosaccharides varied among milk samples; in each milk sample, the pattern was summarized as a ratio of 2-linked to non-2-linked fucosyloligosaccharides. Milks with the highest ratios were produced primarily by Le(a-b-) mothers; those with the lowest ratios were produced exclusively by Le(a-b+) mothers (p<0.001). Thus maternal genetic polymorphisms expressed as Lewis blood group types are expressed in milk as varied fucosyloligosaccharide ratios. The four infants who developed diarrhea associated with stable toxin of Escherichia coli were consuming milk with lower ratios (4.4 +/- 0.8 [SE]) than the remaining infants (8.5 +/- 0.8; p<0.001). Furthermore, the 27 infants who developed moderate to severe diarrhea of any cause were consuming milk with lower ratios (6.1 +/- 0.9) than the 26 who remained healthy (10.5 +/- 1.9; p = 0.042). Thus, milk with higher 2-linked to non-2-linked fucosyloligosaccharide ratios affords greater protection against infant diarrhea. We conclude that specific oligosaccharides constitute a major element of an innate immune system of human milk.
Anti-TNF- therapy for sight threatening uveitis (2005)

Anti-TNF-alpha treatment may be of value in the treatment of uveitis, and in patients with Behçet's disease, leading to suppression of ocular inflammation, vasculitis, and improvement of vision in the majority. Based on these results a controlled masked study is warranted.
Profile of lebrikizumab and its potential in the treatment of asthma (2015)

Interleukin (IL)-13 has been associated with multiple inflammatory features of asthma. It affects multiple cellular lines in asthma and is a key mediator in airway hyperreactivity and remodeling. Periostin, an extracellular protein, has been used as a surrogate marker of IL-13 activity and has been linked to airway remodeling by inducing subepithelial fibrosis. Lebrikizumab is a humanized monoclonal antibody that targets IL-13. Studies have demonstrated promising results with lebrikizumab therapy in asthma with regard to pulmonary function and exacerbation rates, especially on those patients with surrogate markers of T helper cell type 2-driven inflammation (ie, elevated immunoglobulin E levels, eosinophil counts, periostin levels). Lebrikizumab appears to be a safe therapy, but there are ongoing studies evaluating its efficacy and safety profile. Other therapies that target IL-13 and the receptor of IL-4/IL-13 have been studied, but future studies are needed to determine their role in the treatment of asthma.
Organization and nucleotide sequence of the Bacillus subtilis diaminopimelate operon, a cluster of genes encoding the first three enzymes of diaminopimelate synthesis and dipicolinate synthase (1993)

The nucleotide sequence of a 7-kilobase segment of the Bacillus subtilis chromosome containing the entire coding regions for the enzymes catalyzing the first three steps of diaminopimelate synthesis as well as dipicolinate synthase has been determined. This group of functionally related genes, termed the dap operon, were arranged in the order orfY, orfX, asd, dapG, and dapA and were bracketed by potential rho-independent transcription terminators. The asd locus could complement the growth defect of Escherichia coli strains with an asd deletion. Disruption of the dapG locus led to the loss of aspartokinase I, with a phenotype similar to that of the temperature-sensitive dapG mutants described earlier (Roten, C. A. H., Brandt, C., and Karamata, D. (1991) J. Gen. Microbiol. 137, 951-962). The amino acid sequences of the deduced products of the asd, dapG, and dapA loci had high degrees of similarity with those of other aspartate semialdehyde dehydrogenases, aspartokinases, and dihydrodipicolinate synthases, respectively. Disruption of orfX had no effect on growth but caused a sporulation defect, characterized by low sporulation frequencies and heat-sensitive spores, which could be cured by supplementation with dipicolinate, similar to the phenotype of mutants defective in spoVF, the putative structural gene for dipicolinate synthase. Two other open reading frames, upstream of spoVF, encoded the 380 COOH-terminal residues of a protein homologous to mitochondrial processing proteases and an 85-residue polypeptide of unknown function. Transcription initiation sites associated with the orfY-orfX-asd-dapG-dapA gene cluster were mapped by primer extension. The results indicate that during vegetative growth, the three distal genes of the dap operon, asd, dapG, and dapA, are transcribed as a unit and orfY and orfX are not expressed, whereas at stage 5 of sporulation two separate transcripts are produced, one comprising all five genes, the other just the three distal genes of the operon.
Optimal Recovery of Tensor Slices (2017)

We consider the problem of large scale matrix recovery given side information in the form of additional matrices of conforming dimension. This is a parsimonious model that captures a number of interesting problems including context and location aware recommendations, personalized ‘tag’ learning, demand learning with side information, etc. Viewing the matrix we seek to recover and the side information we have as slices of a tensor, we consider the problem of Slice Recovery, which is to recover specific slices of a tensor from noisy observations of the tensor. We provide an efficient algorithm to recover slices of structurally ‘simple’ tensors given noisy observations of the tensor’s entries; our definition of simplicity subsumes low-rank tensors for a variety of definitions of tensor rank. Our algorithm is practical for large datasets and provides a significant performance improvement over state of the art incumbent approaches to tensor recovery. We establish theoretical recovery guarantees that under reasonable assumptions are minimax optimal for slice recovery. These guarantees also imply the first minimax optimal guarantees for recovering tensors of low Tucker rank and general noise. Experiments on data from a music streaming service demonstrate the performance and scalability of our algorithm.
Comparative speed of kill of sarolaner (Simparica™ Chewables) and fluralaner (Bravecto®) against induced infestations of Amblyomma americanum on dogs (2016)

In this controlled laboratory evaluation, monthly treatment with sarolaner provided consistent efficacy against A. americanum with > 70 % of ticks killed within 24 h after a single oral dose over the duration of the study. Monthly treatment with sarolaner consistently killed significantly more ticks within 24 h than a single dose of fluralaner from 6 weeks after initial treatment.
Eradication of B-lineage cells and regression of lymphoma in a patient treated with autologous T cells genetically engineered to recognize CD19 (2010)

Adoptive transfer of genetically modified T cells is an attractive approach for generating antitumor immune responses. We treated a patient with advanced follicular lymphoma by administering a preparative chemotherapy regimen followed by autologous T cells genetically engineered to express a chimeric antigen receptor (CAR) that recognized the B-cell antigen CD19. The patient's lymphoma underwent a dramatic regression, and B-cell precursors were selectively eliminated from the patient's bone marrow after infusion of anti-CD19-CAR-transduced T cells. Blood B cells were absent for at least 39 weeks after anti-CD19-CAR-transduced T-cell infusion despite prompt recovery of other blood cell counts. Consistent with eradication of B-lineage cells, serum immunoglobulins decreased to very low levels after treatment. The prolonged and selective elimination of B-lineage cells could not be attributed to the chemotherapy that the patient received and indicated antigen-specific eradication of B-lineage cells. Adoptive transfer of anti-CD19-CAR-expressing T cells is a promising new approach for treating B-cell malignancies. This study is registered at www.clinicaltrials.gov as #NCT00924326.
Carbonic Anhydrase Inhibitors: Inhibition of Isozymes I, II and IV withN-Hydroxysulfonamides - A Novel Class of Intraocular Pressure Lowering Agents (1998)

A series of N-hydroxy sulfonamides has been prepared by reaction of alkyl-, arylalkyl- and arylsulfonyl halides or sulfonic acid anhydrides with hydroxylamine. Structurally related inhibitors were also obtained from acyl chlorides and hydroxylamine, as well as by reaction of tosyl isocyanate with hydroxylamine, sulfamic acid and sulfamide. Inhibition of three carbonic anhydrase (CA) isozymes, hCA I, hCA II and bCA IV (h = human; b = bovine) with the prepared compounds has been investigated. Good inhibitors, as well as compounds with moderate activity against these isozymes were detected, depending on the R group to which the SO2NHOH or CONHOH moieties were attached. Susceptibility to inhibition was generally: hCA II > bCA IV >> hCA I. Some of the new inhibitors showed very good antiglaucoma action when administered directly into the eye in experimental animals, acting as more efficient intraocular pressure lowering agents as compared to the clinical drug dorzolamide. This constitutes an encouraging result for obtaining novel antiglaucoma drugs from this class of CA inhibitors.
Controlling Cold Atoms using Nanofabricated Surfaces: Atom Chips (2000)

Atoms can be trapped and guided using nanofabricated wires on surfaces, achieving the scales required by quantum information proposals. These atom chips form the basis for robust and widespread applications of cold atoms ranging from atom optics to fundamental questions in mesoscopic physics, and possibly quantum information systems.
Integrated Portable Polymerase Chain Reaction-Capillary Electrophoresis Microsystem for Rapid Forensic Short Tandem Repeat Typing (2007)

A portable forensic genetic analysis system consisting of a microfluidic device for amplification and separation of short tandem repeat (STR) fragments as well as an instrument for chip operation and four-color fluorescence detection has been developed. The microdevice performs polymerase chain reaction (PCR) in a 160-nL chamber and capillary electrophoresis (CE) in a 7-cm-long separation channel. The instrumental design integrates PCR thermal cycling, electrophoretic separation, pneumatic valve fluidic control, and four-color laser excited fluorescence detection. A quadruplex Y-chromosome STR typing system consisting of amelogenin and three Y STR loci (DYS390, DYS393, DYS439) was developed and used for validation studies. The multiplex amplification of these 4 loci with 35 PCR cycles followed by CE separation and 4-color fluorescence detection was completed in 1.5 h. All the amplicons can be detected with a limit of detection of 20 copies of male standard DNA in the reactor. Real-world forensic analyses of oral swab and human bone extracts from case evidence were also successfully performed. Mixture analysis demonstrated that a balanced profile can be obtained even at a male-to-female template ratio of 1:10. The successful development and operation of this portable PCR-CE system establishes the feasibility of rapid point-of-analysis DNA typing of forensic casework, of mass disaster samples or of individuals at a security checkpoint.
Heuristics for Equilibrium Distributions of Asphaltenes in the Presence of GOR Gradients (2014)

Production of crude oil from subsurface reservoirs is greatly impacted by many complexities such as reservoir fluid flow, connectivity, viscosity gradients, and tar mat formation. In situ fluid analysis in oil wells has enabled facile measurement of fluid gradients of dissolved gases and dissolved solids in reservoir crude oils; these gradients have proven very useful for analysis of reservoir complexities. The analysis of solution gas generally uses the cubic equation of state. However, until recently, there had been no predictive equation of state to model asphaltene gradients. Recently, the different nanostructures of asphaltenes in crude oil have largely been resolved and codified in the Yen–Mullins model. In turn, this has enabled equation of state development for asphaltene gradients in crude oils. For example, the Flory–Huggins–Zuo EoS is now ubiquitously utilized in modeling asphaltene gradients. Here, the magnitude and dependencies of the three terms of this EoS, gravity, solubility, and entropy, are considered in detail. Simple expressions for ratios of these terms are obtained as a function of the gas/oil ratio of the crude oils. In particular, the transition from gravity dominance to solubility dominance is examined. A variety of heuristics are developed to guide interpretation of asphaltene gradients that are so routinely measured. Expressions are given that could be used for real-time interpretation upon measurement of these gradients. The utility of EoS modeling of asphaltene gradients is significantly enhanced when incorporating these heuristics.
DIELECTRIC PROPERTIES OF MATERIALS AND MEASUREMENT TECHNIQUES (1990)

ABSTRACT The dielectric properties of materials are defined, and the nature of their dependence on moisture content, frequency of the applied electric field, temperature of the material, and density of particulate materials is discussed. Dielectric properties of liquid water are summarized. The influence of moisture content, frequency, temperature, and density on the values of the dielectric constant and loss factor, real and imaginary parts of the relative complex permittivity, respectively, are illustrated for several different kinds of materials. Examples include dielectric properties for the cereal grains corn and wheat, pecans, and pulverized coal. Techniques for the measurement of dielectric properties of materials at high frequencies and microwave frequencies useful for dielectric heating and drying applications are discussed briefly, and numerous publications describing these methods in greater detail are cited for reference.
ChemInform Abstract: Catalytic C—H and C—S Bond Activation of Thiophenes. (2013)

Abstract The palladium‐catalyzed reaction of 2‐arylthiophenes (I) with alkynes (II) leads selectively to adducts (III) in moderate yields, whilst the reaction with thiophenes (IV) bearing a 2,6‐dimethylphenyl or mesityl moiety proceeds via an other pathway affording products (V).
Parenteral Administration of Live Respiratory Syncytial Virus Vaccine: Results of a Field Trial (1982)

A live respiratory syncytial virus (RSV) vaccine administered parenterally was evaluated for efficacy in a double-blind, placebo-controlled field trial in 510 children six to 47 months of age. Among the 233 recipients of live RSV vaccine, 68 of 98 initially seronegative children (as determined by enzyme-linked immunosorbent assay) developed antibody to RSV; 25 of the 30 initially seronegative children who did not develop antibody were less than 12 months old, which suggested that very low levels of maternal antibody (undetectable by enzyme-linked immunosorbent assay) inhibited replication of the vaccine virus. The children were monitored for the occurrence of naturally acquired RSV infection in two RSV epidemics, and there was no difference in the frequency of upper or lower respiratory tract disease caused by RSV between the live RSV vaccine recipients who developed vaccine-induced antibody and the placebo vaccine recipients. Thus, this live RSV vaccine administered parenterally was not efficacious.