gebhart/patrepeval huggingface dataset:
Reflections on the Hydrogen Bond in Crystal Engineering (2011)

ADVERTISEMENT RETURN TO ISSUEPREVPerspectiveNEXTReflections on the Hydrogen Bond in Crystal EngineeringGautam R. DesirajuView Author Information Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, IndiaCite this: Cryst. Growth Des. 2011, 11, 4, 896–898Publication Date (Web):March 17, 2011Publication History Received23 January 2011Revised28 February 2011Published online17 March 2011Published inissue 6 April 2011https://pubs.acs.org/doi/10.1021/cg200100mhttps://doi.org/10.1021/cg200100mreview-articleACS PublicationsCopyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views2974Altmetric-Citations151LEARN 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 SUBJECTS:Chemical structure,Crystal engineering,Crystal structure,Molecules,Noncovalent interactions Get e-Alerts
Immunoglobulin G and Subclasses as Potential Biomarkers in Metastatic Melanoma Patients Starting Checkpoint Inhibitor Treatment (2019)

Checkpoint inhibitors have improved survival of metastatic melanoma. However, reliable biomarkers to predict response are still needed. Immunoglobulin G (IgG) antibody subclasses reflect immunocompetence in individuals and are known to be involved in essential functions in our immune system. This prospective study evaluated the association between serum IgG with its subclasses IgG1, IgG2, IgG3, and IgG4 and antitumor response according to RECIST 1.1. Serum samples from 49 patients were prospectively collected before the start of treatment with a checkpoint inhibitor. We observed a statistically significant association of baseline IgG2 with response to therapy (P=0.011). After defining optimal cutpoints, we found significant associations between total IgG (>9.66 g/L, P=0.038), IgG1 (>6.22 g/L, P=0.025), IgG2 (>2.42 g/L, P=0.019), and IgG3 (>0.21 g/L, P=0.034) with progression-free survival. Prolonged overall survival was associated with elevated IgG2 (>2.42 g/L, P=0.043). Together, these findings define total IgG and subclasses as predictors of clinical successful checkpoint inhibition in metastatic melanoma patients.
Octane hyperboosting in fuel blends (2023)

The present invention relates, in part, to fuel mixtures and methods of preparing such mixtures. In particular, the mixture includes an alkenol additive that provides octane boosting.
Neue Phosphido‐verbrückte Mehrkernkomplexe des Ag, Cd und Zn Die Kristallstrukturen von [Ag4(PPh2)4(PMe3)4], [Ag6(PPh2)6(PtBu3)2] und [M4Cl4(PPh2)4(PnPr3)2] (M = Zn, Cd) (1993)

Abstract AgCl reagiert mit Ph 2 PSiMe 3 in Gegenwart der tertiären Phosphane PMe 3 und P t Bu 3 unter Bildung der mehrkernigen Komplexe [Ag 4 (PPh 2 ) 4 (PMe 3 ) 4 ] ( 1 ) und [Ag 6 (PPh 2 ) 6 (P t Bu 3 ) 2 ] ( 2 ). Analog dazu reagiert MCl 2 mit Ph 2 PSiMe 3 und P n Pr 3 zu den mehrkernigen Komplexen [M 4 Cl 4 (PPh 2 ) 4 (P n Pr 3 ) 2 ] (M = Zn 3 ), Cd ( 4 )). Die Struktur der Komplexe konnte durch Kristallstrukturanalysen aufgeklärt werden ( 1 : Raumgruppe Pna2 1 (Nr. 33), Z = 4, a = 1 313,8(11) pm, b = 1 511,1(6) pm, c = 4 126,0(18) pm, 2 : Raumgruppe P 1 (Nr. 2), Z = 2, a = 1 559,0(4) pm, b = 1 885,9(7) pm, c = 2 112,4(8) pm, α = 104,93(3)°, β = 94,48(3)°, γ = 104,41(3)°; 3 : Raumgruppe C2/c (Nr. 15), Z = 4, a = 2 228,6(6) pm, b = 1 847,6(6) pm, c = 1 827,3(6) pm, β = 110,86(2); 4 : Raumgruppe C2/c (Nr. 15), Z = 4, a = 1 894,2(9) pm, b = 1 867,9(7) pm, c = 2 264,8(6) pm, β = 111,77(3) 3 und 4 können als Vorstufen auf dem Weg zur Bildung von polymerem [M(PPh 2 ) 2 ] n (M = Zn, Cd) angesehen werden.
Performance of Vitek 2 in Antimicrobial Susceptibility Testing of Pseudomonas aeruginosa Isolates with Different Mechanisms of β-Lactam Resistance (2008)

A total of 78 isolates of Pseudomonas aeruginosa grouped according to the phenotype for ceftazidime and imipenem susceptibility/resistance were used to assess the accuracy of the Vitek 2 system in antimicrobial susceptibility testing. Comparisons were made with a MIC gradient test for piperacillin-tazobactam, ceftazidime, aztreonam, imipenem, meropenem, gentamicin, and ciprofloxacin. For the total of 546 isolate-antimicrobial combinations tested, the category agreement was 83.6%, with 2.0, 1.6, and 12.8% very major, major, and minor errors, respectively. Vitek 2 accuracy was influenced differently by the mechanism responsible for resistance, and interpretation of the results in relation to phenotype could improve the performance of the system.
A Study on Improvement of Lubrication Properties for the Frictional Surfaces of the Artificial Joints. (2000)

New surface structure with regular patterning for the frictional surfaces of the artificial joints was designed to improve the wear problems. The lubrication properties for the cup ( ultrahigh molecular weight polyethylene, UHMWPE) vs. ball ( Co-Cr alloy) were studied to evaluate the wear and surface roughness. The surface structure is the dents pattern which has diameter of 0.5mm, pitch of 1.2mm. In this study, such surface patterns were applied to artificial hip joints, and the effects of regular patterning on the frictional surface were investigated by using a joint simulator. The amount of wear of the cup that was in contact with the patterned head was only half that of the cup that was in contact with the non-patterned head, and the surface roughness of the cup with a non-patterned head was three-times greater than that of the cup with a patterned head. These results demonstrates that the lubrication properties can be improved by patterning of the frictional surface of the artificial joint. Consequently, the life of the artificial joint can be extended by the patterning on the frictional surfaces.
Phosphatidic acid and arachidonic acid each interact synergistically with glucagon to stimulate Ca2+ influx in the perfused rat liver (1987)

The administration of phosphatidic acid to rat livers perfused with media containing either 1.3 mM- or 10 microM-Ca2+ was followed by a stimulation of Ca2+ efflux, O2 uptake and glucose output. The responses elicited by 100 microM-phosphatidic acid were similar to those induced by the alpha-adrenergic agonist phenylephrine. Contrary to suggestions that phosphatidic acid acts like a Ca2+-ionophore, no net influx of Ca2+ was detected until the phosphatidic acid was removed. Sequential infusions of phenylephrine and phosphatidic acid indicate that the two agents release Ca2+ from the same intracellular source. The co-administration of glucagon (or cyclic AMP) and phosphatidic acid, and also of glucagon and arachidonic acid, led to a synergistic stimulation of Ca2+ uptake of the liver, a feature similar to that observed after the co-administration of glucagon and other Ca2+-mobilizing hormones [Altin & Bygrave (1986) Biochem. J. 238, 653-661]. A notable difference, however, is that the synergistic stimulation of Ca2+ uptake induced by the co-administration of glucagon and arachidonic acid was inhibited by indomethacin, whereas that induced by glucagon and phosphatidic acid, or glucagon and other Ca2+-mobilizing agents, was not. The results suggest that the synergistic action of glucagon and arachidonic acid in stimulating Ca2+ influx is mediated by prostanoids, but that of glucagon and phosphatidic acid is evoked by a mechanism similar to that of Ca2+-mobilizing agents.
P-Glycoprotein Functions as a Differentiation Switch in Antigen Presenting Cell Maturation (2006)

P-glycoprotein (P-gp) expressed on human antigen presenting cells (APC) regulates alloantigen-dependent T-cell activation, but the associated mechanisms are not well understood. Here we demonstrate that P-gp functions in IL-12-dependent monocyte differentiation into dendritic cell (DC) lineages during APC maturation, thereby regulating the capacity of myeloid-derived APCs to elicit alloimmune Th1 responses. Human CD14+ monocytes cultured in vitro in the presence of IL-4/GM-CSF differentiated into CD14(-) CD1A+ APCs of the immature DC phenotype. In contrast, P-gp blockade during differentiation inhibited CD1a induction, down-regulated CD80 expression, enhanced CD86 expression and induced CD68 expression. APCs differentiated in the presence of P-gp blockade stimulated alloimmune T-cell proliferation significantly less than controls and this effect was associated with 97% inhibition of Th1 IFN-gamma production, but preserved Th2 IL-5 secretion. MAb-mediated blockade of the P-gp transport substrate IL-12 in the course of APC differentiation also inhibited IFN-gamma production, while addition of rIL-12 to P-gp-blocked APC differentiation cultures significantly reversed this effect, demonstrating that P-gp functions in APC differentiation in part via IL-12 regulation. Our findings define a novel role for P-gp as a differentiation switch in APC maturation and resultant alloimmune Th1 responses, thereby identifying P-gp as a potential novel therapeutic target in allotransplantation.
A Jet Stirred Reactor for Combustion Studies: Design and Characterization (1988)

Abstract A Jet Stirred Reactor for Combustion Studies: Design and Characterization Abstract–A stainless steel jet stirred reactor (JSFR) has been designed and constructed, capable of operating under pressures up to 20 atm and temperatures up to 1000 K and residence times as short as 0.015 s. Complete mixedness has been experimentally checked by means of mass-spectrometric analysis of argon pulses in a nitrogen steady flow. A Nusselt type correlation has been developed to evaluate the heat transfer coefficient for this kind of reactors. JSF reactor technique has been applied to study the dynamic behaviour of air-stoichiometric mixtures of n.heptane and i.octane. Runs have been performed both at constant and variable operation pressure. Heat release rates (HRR) of combustion processes have also been systematically evaluated.
Discrimination of Carcinogens by Hepatic Transcript Profiling in Rats following 28-day Administration (2009)

This study aimed at discriminating carcinogens on the basis of hepatic transcript profiling in the rats administrated with a variety of carcinogens and non-carcinogens. We conducted 28-day toxicity tests in male F344 rats with 47 carcinogens and 26 non-carcinogens, and then investigated periodically the hepatic gene expression profiles using custom microarrays. By hierarchical cluster analysis based on significantly altered genes, carcinogens were clustered into three major groups (Group 1 to 3). The formation of these groups was not affected by the gene sets used as well as the administration period, indicating that the grouping of carcinogens was universal independent of the conditions of both statistical analysis and toxicity testing. Seventeen carcinogens belonging to Group 1 were composed of mainly rat hepatocarcinogens, most of them being mutagenic ones. Group 2 was formed by three subgroups, which were composed of 23 carcinogens exhibiting distinct properties in terms of genotoxicity and target tissues, namely nonmutagenic hepatocarcinogens, and mutagenic and nonmutagenic carcinogens both of which are targeted to other tissues. Group 3 contained 6 carcinogens including 4 estrogenic substances, implying the group of estrogenic carcinogens. Gene network analyses revealed that the significantly altered genes in Group 1 included Bax, Tnfrsf6, Btg2, Mgmt and Abcb1b, suggesting that p53-mediated signaling pathway involved in early pathologic alterations associated with preceding mutagenic carcinogenesis. Thus, the common transcriptional signatures for each group might reflect the early molecular events of carcinogenesis and hence would enable us to identify the biomarker genes, and then to develop a new assay for carcinogenesis prediction.
Evaluating a Potential Commercial Tool for Healthcare Application for People with Dementia (2015)

The widespread use of smartphones and sensors has made physiology, environment, and public health notifications amenable to continuous monitoring. Personalized digital health and patient empowerment can become a reality only if the complex multisensory and multimodal data is processed within the patient context, converting relevant medical knowledge into actionable information for better and timely decisions. We apply these principles in the healthcare domain of dementia. Specifically, in this study we validate one of our sensor platforms to ascertain whether it will be suitable for detecting physiological changes that may help us detect changes in people with dementia. This study shows our preliminary data collection results from six healthy participants using the commercially available Hexoskin vest. The results show strong promise to derive actionable information using a combination of physiological observations from passive sensors present in the vest. The derived actionable information can help doctors determine physiological changes associated with dementia, and alert patients and caregivers to seek timely clinical assistance to improve their quality of life.
Isotope heterostructures selectively doped by neutron transmutation (1990)

The author presents a novel family of semiconductor multilayer structures, isotope heterostructures. The simplest isotope heterostructure is created by epitaxial growth of chemically pure layers of pure or deliberately mixed isotopes of one chemical element that can be doped after growth by exposure to thermal neutrons (neutron transmutation doping (NTD)). He shows that isotope multilayer structures offer selective doping using NTD. The advantages of isotope multilayers include but are not limited to the complete absence of autodoping and dopant impurity induced intermixing, choice of dopant concentration through the choice of the neutron fluence after growth, perfect homogeneity of doping, fixed dopant concentration ratios in the various layers given by the isotope abundances and possibly doping to concentrations above solubility limits. The element germanium is used as an example for isotope multilayer formation because NTD can produce shallow acceptors, shallow donors or no doping depending only on the choice of the appropriate Ge isotopes. This allows an almost limitless number of possible combinations of selectively doped and pure layers. Isotope heterostructures, especially isotope homo and hetero superlattices of Ge, Si and compound semiconductors, offer an abundance of novel properties enabling new physics and new devices.
Pressure–pain threshold determination in the oral mucosa: validity and reliability (2002)

Fundamental knowledge of pain in the oral mucosa is lacking. We determined the validity and reliability of the pressure-pain threshold (PPT) measurement in the oral mucosa using a newly developed hand-held pressure algometer. Ten dentulous subjects were recruited, and the PPT was measured at the bilateral buccal (on the attached gingiva apical to the midline of the upper first premolars, 3 mm from the mucogingival junction) and the palatal sites (mid-point between the bilateral upper first molars). The PPT linearly increased with an increase in load-rate (P < 0.0001). The PPT yielded a high intra-individual stability both for the same-day consecutive trials and weekly sessions. The palatal site revealed a 4- to 4.65-fold greater PPT than the buccal sites (Bonferroni, P < 0.0001), whereas no difference was found between the bilateral buccal sites (P=0.663). Despite a great interindividual variation in the PPT, significant intra-individual correlations were found among the measurement sites. This suggested differences in individual sensitivity to pain in the oral mucosa, which may determine overall pain sensation specific to an individual. A pressure algometer described herein reliably assessed the PPT in the oral mucosa and sensitively discriminated PPT differences at different sites and at different load-rates, suggesting the reliability and validity of PPT measurements in the oral mucosa for clinical and research investigations.
<title>Realizing micro-opto-electro-mechanical devices through a commercial surface-micromachining process</title> (1996)

The growing availability of commercial foundry processes allows easy implementation of micro-opto-electro-mechanical systems (MOEMS) for a variety of applications. Such applications go beyond single devices to include whole optical systems on a chip, comprising mirrors, gratings, Fresnel lenses, shutters, and actuators. Hinged and rotating structures, combined with powerful and compact thermal actuators, provide the means for positioning and operating these components. This paper presents examples of such systems built in a commercial polycrystalline silicon surface-micromachining process, the ARPA-sponsored multi-user MEMS process. Examples range from optical subcomponents to large mirror arrays and micro-interferometers. Also presented are linear arrays for combining the output of laser diode sources and for holographic data storage systems. Using the examples discussed in this paper, a designer can take advantage of commercially available surface-micromachining processes to design and develop MOEMS without the need for extensive in-house micromachining capabilities.
In situ differentiation of iridophore crystallotypes underlies zebrafish stripe patterning (2020)

Skin color patterns are ubiquitous in nature, evolve rapidly, and impact social behavior 1 , predator avoidance 2 , and protection from ultraviolet irradiation 3 . A leading model system for vertebrate skin patterning is the zebrafish 4-7 ; its alternating blue stripes and yellow interstripes depend on guanine crystal-containing cells called iridophores that reflect light. It was suggested that the zebrafish’s alternating color pattern arises from a single type of iridophore migrating differentially to stripes and interstripes 7-9 . When we tracked iridophores, however, we found they did not migrate between stripes and interstripes but instead differentiated and proliferated in place based on their micro-environment. RNA seq analysis further revealed stripe and interstripe iridophores had different transcriptomic states, while cryogenic scanning electron microscopy and micro-X-ray diffraction showed they had different guanine crystal organizations and responsiveness to norepinephrine, all indicating that stripe and interstripe iridophores are different cell types. Based on these results, we present a new model of skin patterning in zebrafish in which distinct iridophore crystallotypes containing specialized, physiologically responsive, subcellular organelles arise in stripe and interstripe zones by in situ differentiation. In this model, pattern phenotype depends not only on interactions among pigment cells that affect their arrangements, but also on factors that specify subcellular organization and physiological responsiveness of specialized organelles.
Effects of laminin monoclonal antibodies on the development of cultured rat embryos (1994)

Whole rat embryos (9.5 days of gestation) were exposed to six different monoclonal antibodies to laminin during 48 hr of culture. Four (LAM I, LAM V, 5A2, 9D2) of the six were teratogenic or lethal and two (LAM II, 5D3) were not toxic at comparable levels. Teratogenicity and lethality were not related to antibody level, subclass or affinity for whole laminin. Indirect immunofluorescence studies using mouse embryo sections revealed that the toxic antibodies bound in a diffuse manner, while the nontoxic antibodies showed distinct labeling of tissues. These observations suggest that previous varied responses seen in cultured rat embryos exposed to laminin antibodies obtained from humans, monkeys, and rats were the result of differences in the epitope specificity of those antibodies.
Notch Exhibits Ligand Bias and Maneuvers Stage-Specific Steering of Neural Differentiation in Embryonic Stem Cells (2010)

Notch dictates multiple developmental events, including stem cell maintenance and differentiation, through intercellular communication. However, its temporal influence during early development and, of particular interest, its regulation of binary fate decision at different stages during neurogenesis are among the least explored. Here, using an embryonic stem cell (ESC) model, we have deciphered Notch ligand preference during ESC commitment to different germ layers and determined the stage-specific temporal effect of Notch during neural differentiation. ESCs during maintenance remain impervious to Notch inhibition. However, Notch activation promotes differentiation even in the presence of leukemia inhibitory factor (LIF), displaying ligand preference-associated lineage discrimination, where Jagged-1 favors neural commitment and Delta-like-4 favors the mesoderm. This differential ligand action involves a combination of Notch receptors influencing specific downstream target gene expression. Though Notch activation during early neural differentiation specifically promotes neural stem cells or early neural progenitors and delays their maturation, its inhibition promotes late neural progenitors and expedites neurogenesis, with a preference for neurons over glia. However, gliogenesis is promoted upon Notch activation only when executed in combination with ciliary neurotrophic factor. Thus, our investigation underscores a multifaceted role of Notch, demonstrating the interdependency of ligand usage and lineage specification and Notch acting as a master switch, displaying stage-specific influence on neurogenesis.
Selectivity Adjustment in the Cleavage of Allyl Phenyl and Methyl Phenyl Ethers with Boron Trifluoride—Methyl Sulfide Complex. (2005)

Abstract For Abstract see ChemInform Abstract in Full Text.
Gelation properties of milk proteins, soy proteins, and blended protein systems (1984)

An overview is provided of the chemistry of milk proteins, their ability to form gel structures, the conditions required for gelation, the chemical mechanisms involved in milk protein gelation, and the importance of gelation reactions in dairy products and milk protein ingredients and blends (including mixtures of milk proteins with soy proteins). Specific attention is given to 3 topics: the chemistry of casein and whey proteins in milk; gelation reactions in milk products and ingredients and their role in the manufacture of cheese, yogurt, milk gels, caseinates, and whey protein concentrates; and the chemistry of soy proteins and gelation reactions involving them for the production of tofu, sufu, cheese analogs, and yogurt-type products. (wz)
A Convex Clustering-based Regularizer for Image Segmentation (2015)

In this paper we present a novel way of combining the process of k-means clustering with image segmentation by introducing a convex regularizer for segmentation-based optimization problems. Instead of separating the clustering process from the core image segmentation algorithm, this regularizer allows the direct incorporation of clustering information in many segmentation algorithms. Besides introducing the model of the regularizer, we present a numerical algorithm to efficiently solve the occurring optimization problem while maintaining complete compatibility with any other gradient descent based optimization method. As a side-product, this algorithm also introduces a new way to solve the rather elaborate relaxed k-means clustering problem, which has been established as a convex alternative to the non-convex k-means problem.