gebhart/patrepeval huggingface dataset:
A monoclonal antibody to the estrogen receptor discriminates between the inactivated and activated estrogen- and anti-estrogen-receptor complexes (1984)

An IgM-class monoclonal antibody ( B36 ) [Greene, G. L., Fitch, F. W., & Jensen, E.V. (1980) Proc. Natl. Acad. Sci. U.S.A. 77, 157-161] raised against the calf uterine estrogen receptor (R) was used to probe the structure of R bound to estradiol or to 4-hydroxytamoxifen, a nonsteroidal anti-estrogen which displays a high affinity for R. This antibody does not noticeably modify the interaction of R with these ligands, but R, when bound to B36 , is markedly displaced in both low- and high-salt sucrose gradients. We found the following: The B36 antibody interacts more strongly with activated cytosol estradiol- and 4-hydroxytamoxifen-R complexes than with nonactivated (molybdate-stabilized) complexes. This antibody also interacts strongly with the nuclear forms of R bound to estradiol or to the anti-estrogen. The affinity of B36 for the nonactivated R-4-hydroxytamoxifen complex is 3-fold greater than for the non-activated R-estradiol complex. The difference is slightly less pronounced for activated complexes. Preincubation of activated R with saturating amounts of B36 partially (less than or equal to 60%) inhibits the binding of R-ligand complexes to DNA adsorbed onto cellulose. These results suggest that the B36 and DNA binding domains of R are related and strengthen the hypothesis that R has different external structures when activated or nonactivated and when bound to an anti-estrogen or to estradiol.
CFD Simulations of a Supersonic Ejector for Use in Refrigeration Applications (2008)

Supersonic ejectors have been used in cooling/refrigeration applications since the early 1900s.Interest in supersonic ejectors has been rekindled by recent efforts to reduce energy consumption; ejector refrigeration systems can be powered by solar energy or by waste heat generated by another process.This paper presents the results of computational fluid dynamics (CFD) simulations of a supersonic ejector for use in a refrigeration system.The proposed model was applied to a geometry corresponding to an experimental apparatus that operates using R245fa.The impact of varying operating conditions (generator and evaporator pressures) on the ejector entrainment ratio and critical condenser pressures was investigated.Other parameters considered in this study include: the primary nozzle exit position; the length of the mixing chamber; and the diameter of the secondary flow inlet.The results show that CFD is a useful tool in the design of ejectors for refrigeration applications.
Predicting Drug Disposition via Application of a Biopharmaceutics Drug Disposition Classification System (2010)

A Biopharmaceutics Drug Disposition Classification System (BDDCS) was proposed to serve as a basis for predicting the importance of transporters in determining drug bioavailability and disposition. BDDCS may be useful in predicting: routes of drug elimination; efflux and absorptive transporters effects on oral absorption; when transporter-enzyme interplay will yield clinically significant effects (e.g. low drug bioavailability and drug-drug interactions); and transporter effects on post-absorptive systemic drug levels following oral and i.v. dosing. For highly soluble, highly permeable Class 1 compounds, metabolism is the major route of elimination and transporter effects on drug bioavailability and hepatic disposition are negligible. In contrast for the poorly permeable Class 3 and 4 compounds, metabolism only plays a minor role in drug elimination. Uptake transporters are major determinants of drug bioavailability for these poorly permeable drugs and both uptake and efflux transporters could be important for drug elimination. Highly permeable, poorly soluble, extensively metabolized Class 2 compounds present the most complicated relationship in defining the impact of transporters due to a marked transporter-enzyme interplay. Uptake transporters are unimportant for Class 2 drug bioavailability, (ensure space after,) but can play a major role in hepatic and renal elimination. Efflux transporters have major effects on drug bioavailability, absorption, metabolism and elimination of Class 2 drugs. It is difficult to accurately characterize drugs in terms of the high permeability criteria, i.e. > or =90% absorbed. We suggest that extensive metabolism may substitute for the high permeability characteristic, and that BDDCS using elimination criteria may provide predictability in characterizing drug disposition profiles for all classes of compounds.
AVALIAÇÃO DA CONTAMINAÇÃO POR METAIS PESADOS EM PEIXES DO RIO SÃO FRANCISCO À JUSANTE DA REPRESA DE TRÊS MARIAS, MINAS GERAIS, BRASIL (2011)

This study quantified the concentrations of Zn, Cd, Cu and Ni in muscle samples from fish of the species Prochilodus argenteus (Prochilodontidae, Characiformes) caught in waters of the Sao Francisco River, downstream from the dam of UHE – Hidroeletric Power Station of Tres Marias, MG, during rainy and dry season, and their concentrations were related with the maximum limits established by the Ministry of Health. The results showed that the average concentration of metals studied in individuals captured, was below the limits established by law. Comparing the dry and rainy seasons, significant differences were obtained in zinc concentrations (p = 0.0223) and nickel (p = 0.0001), an result not observed for cadmium (p = 0.4190) and copper (p = 0.2344).
UNSATURATED POLYESTERS (1966)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTUNSATURATED POLYESTERSEarl E. ParkerCite this: Ind. Eng. Chem. 1966, 58, 4, 53–58Publication Date (Print):April 1, 1966Publication History Published online1 May 2002Published inissue 1 April 1966https://pubs.acs.org/doi/10.1021/ie50676a014https://doi.org/10.1021/ie50676a014research-articleACS PublicationsRequest reuse permissionsArticle Views325Altmetric-Citations20LEARN 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 options Get e-Alerts
NSAID ulcers: prevalence and prevention (2000)

Journal Article NSAID ulcers: prevalence and prevention Get access D Y Graham D Y Graham Rm 3A-320 (111D), Veterans Affairs Medical Center, 2002 Holcombe Blvd., Houston, TX 77030, USA Correspondence to: D. Y. Graham, Rm 3A-320 (111D), Veterans Affairs Medical Center, 2002 Holcombe Blvd., Houston, TX 77030, USA Tel. +1-713-795-0232; Fax +1-713-790-1040 e-mail: dgraham@bcm.tmc.edu Search for other works by this author on: Oxford Academic Google Scholar Modern Rheumatology, Volume 10, Issue 1, 1 March 2000, Pages 2–7, https://doi.org/10.3109/s101650070031 Published: 01 March 2000 Article history Received: 09 October 1999 Published: 01 March 2000
Mass spectrometric studies of a modified active-site tetrapeptide from delta 5-3-ketosteroid isomerase of Pseudomonas testosteroni. (1982)

Examination of the product of affinity labeling of delta 5-3-ketosteroid isomerase (EC 5.3.3.1) of Pseudomonas testosteroni by the suicide substrate [7-3H]5,10-secoestr-5-yne-3,10,17-trione has demonstrated that the steroid becomes bound by an acid- and base-labile linkage to an active-site peptide representing residues 55-58 (H2N-Tyr-Ala-Asn-Ser-CO2H) of the primary structure (Penning, T. M., and Talalay, P. (1981) J. Biol. Chem. 256, 6851-6858). Upon release of the steroid by mild acid hydrolysis, the peptide is converted into a more basic structure while retaining its amino acid composition (as determined by conventional means). These findings were rationalized by postulating that the steroid is bound as an imido ester via the amide group of asparagine 57 and that the polypeptide backbone participates (via attack by nitrogen or oxygen) in the hydrolysis of this ester with the formation of a cyclic amidine or basic oxazine. By comparing the properties of the isolated tetrapeptide, from which the steroid has been removed, with those of synthetic H2N-Tyr-Ala-Asn-Ser-CO2H and H2N-Tyr-Ala-Asp-Ser-CO2H by electron impact and fast atom bombardment mass spectrometry, we now have evidence for the presence of an oxazine (5,6-dihydro-6-iminio-4H-1,3-oxazine) in the modified peptide. Our results draw attention to the hitherto unsuspected degree of nucleophilicity of the amide group of the side chain of asparagine and the participation of this group in the formation of an imido ester.
Some Variables Which Influence the Activated Partial Thromboplastin Time Assay (1966)

Abstract Variables that influence results in the activated partial thromboplastin time assay, are the material used as the activator, its concentration and contact time with the plasma, and varying concentrations of calcium chloride. A reliable and reproducible assay system is described.
Developmental Equations for the Electroencephalogram (1980)

Thirty-two linear regression equations predict the frequency composition of the electroencephalogram within four frequency bands, for four bilateral regions of the brain, as a function of age. Equations based on such data from large groups of healthy children in the United States and Sweden are closely similar. These equations describe the development of the electrical activity of the normal human brain, independent of cultural, ethnic, socioeconomic, or sex factors.
A simple asymmetric organocatalytic approach to optically active cyclohexenones (2006)

Optically active 2,5-disubstituted-cyclohexen-2-one derivatives have been prepared in a one-pot process consisting of five reaction steps: an organocatalytic asymmetric conjugated addition of beta-ketoesters to alpha,beta-unsaturated aldehydes that proceeds in aqueous solutions or under solvent-free conditions has been implemented in a multi-step process.
PHOSPHORUS METABOLISM AND MANAGEMENT IN CHRONIC KIDNEY DISEASE: Phosphate Metabolism in the Setting of Chronic Kidney Disease: Significance and Recommendations for Treatment (2007)

Phosphorus is an essential mineral that plays a crucial role in cell structure and metabolism. In living organisms, phosphorus exists surrounded by four oxygen atoms to form phosphate (PO(4)). Within cells, PO(4) regulates enzymatic activity and serves as an essential component of nucleic acids, adenosine triphosphate, and phospholipid membranes. Outside cells, PO(4) primarily resides in bone and teeth as hydroxyapatite. A small amount of inorganic PO(4) circulates in serum, with levels balanced by gastrointestinal intake, renal excretion, and a set of specific hormones. Under normal conditions, PO(4) is excreted through the kidneys. Among patients with end stage renal disease (ESRD) receiving chronic dialysis, circulating PO(4) levels typically rise to levels well above the normal laboratory range. Higher serum PO(4) levels are strongly associated with arterial calcification and mortality in this setting. Among predialysis patients with chronic kidney disease (CKD), phosphaturic hormones enhance renal PO(4) excretion to maintain serum PO(4) levels within the high-normal laboratory range. Recently, high-normal serum PO(4) levels have been associated with cardiovascular (CV) events and mortality among individuals who have CKD and among those who have normal kidney function. This review discusses PO(4) metabolism in the context of CKD, examines associations of PO(4) levels with adverse outcomes in the CKD setting, and suggests treatment strategies for moderating serum PO(4) levels.
Zur Synthese von Tiliacora‐Alkaloiden, 2. Mitt.: Darstellung des unsymmetrischen Biphenyl‐Schwanzteils (1989)

Abstract Die Biphenyl‐Derivate S‐1 und S‐3 werden aus den Phenylessigsäureestern 3, 4 und 5 durch gemischte Ullmann ‐Reaktion erhalten. Aufgrund der selektiv abspaltbaren Carboxy‐Schutzgruppen eignen sich S‐1 und S‐3 zur konstitutionsselektiven Verknüpfung mit dem früher beschriebenen unsymmetrischen Dibenzo‐1,4‐dioxin‐Derivat K 1) .
High-power multiple-frequency narrow-linewidth laser source based on a semiconductor tapered amplifier (1999)

The output of two grating-stabilized external-cavity diode lasers was injected into a semiconductor tapered amplif ier in a master oscillator-power amplif ier (MOPA) configuration. At a wavelength of 671 nm this configuration produced 210 mW of power in a diffraction-limited mode with two frequency components of narrow linewidth. The frequency difference delta was varied from 20 MHz to 12 GHz, while the power ratio of the two components was freely adjustable. For delta < 2 GHz additional frequency sidebands appear in the output of the MOPA. This configuration is a f lexible and simple high-power cw laser source for light with multiple narrow-linewidth frequency components.
Altered regulation of metabolic pathways in human lung cancer discerned by 13C stable isotope-resolved metabolomics (SIRM) (2009)

PC activation - revealed here for the first time in human subjects - may be important for replenishing the Krebs cycle intermediates which can be diverted to lipid, protein, and nucleic acid biosynthesis to fulfill the high anabolic demands for growth in lung tumor tissues. We hypothesize that this is an important event in non-small cell lung cancer and possibly in other tumor development.
A Process Chemistry Benchmark for sp<sup>2</sup>–sp<sup>3</sup> Cross Couplings (2021)

As sp<sup>2</sup>-sp<sup>3</sup> disconnections gain acceptance in the medicinal chemist's toolbox, an increasing number of potential drug candidates containing this motif are moving into the pharmaceutical development pipeline. This raises a new set of questions and challenges around the novel, direct methodologies available for forging these bonds. These questions gain further importance in the context of process chemistry, where the focus is the development of scalable processes that enable the large-scale delivery of clinical supplies. In this paper, we describe our efforts to apply a wide variety of standard, photo-, and electrochemical sp<sup>2</sup>-sp<sup>3</sup> cross-coupling methods to a pharmaceutically relevant intermediate and optimize each through a combination of high throughput and mechanistically guided experimentation. With data regarding the performance, benefits, and limitations of these novel methods, we evaluate them against a more traditional two-step palladium-catalyzed process. This work reveals trends and similarities between these sp<sup>2</sup>-sp<sup>3</sup> bond-forming methods and suggests a path forward for further refinements.
Unconventional Reservoir Model Predictions Using Massively-Parallel Flow-Simulation: Bakken/Three Forks Reservoir Development Cases and SRV Testing (2016)

Abstract This paper discusses the application of massively-parallel GPU flow-simulation to rapidly compare alternate reservoir development cases in the Bakken/Three Forks using vertically offset stacks of horizontal wells. Compared with conventional CPU flow simulation, Graphics Processing Units (GPUs) used as general purpose processors allow much faster run times and larger models (10+ million cells). Larger flow simulation models can retain important details of reservoir characterization (hydro-frac SRV + natural fractures + matrix), allowing investigation of many alternative development cases such as closely spaced, vertically offset stacked wells with interfering hydro-frac stages. These multi-pad horizontal well cases are often difficult to simulate due to model active cell size limits or impractical due to project time constraints. This study aims to investigate three key what-if scenarios that are of current operational and economic significance. In particular, we investigate the impact of hydraulic fracture height, delayed drilling of the vertically offset horizontal wells, as well as horizontal well interference between Middle Bakken and Three Forks. The simulations are run on a GPU based simulator allowing us to take advantage of its high computational efficiency and reduced simulation run times, and to retain geomodel geological detail. For the flow-sim examples presented in this work, we use a detailed Bakken and Three Forks geomodel based on NDIC public data. We demonstrate how the optimized GPU formulation provides the ability to run multiple fine-scale realizations with offset stacked groups of Bakken and Three Forks horizontal well sets to address vertical hydro-frac SRV uncertainty. Furthermore, we investigate several development cases that provide economic scenarios for future production from Bakken/Three Forks play. Multi-million cell GPU flow-sim models are shown to run at least an order of magnitude faster than current parallel CPU algorithms for the same large Bakken/Three Forks combined models. Our fast full-physics simulations enable investigation of a wide range of what-if scenarios, thereby providing a better insight into several aspects of production from the complex Bakken/Three Forks play including hydraulic fracture interactions.
Thermal reaction of 4-benzothiazolyldithioazetidinone novel formation of isothiazolone derivatives. (1978)

In order to compare with the photochemical reaction resulting to the preferential formation of 3-methylenecepham, the thermal reaction of 4-benzothiazolyldithioazetidinone (1) was examined. Pyrolysis of 1 led to the formation of 2-mercaptobenzothiazole (4), isothiazolone derivatives (5a and 5b), thiazole derivatives (6a and 6b) and bisbenzothiazolyl disulfide (7) in a different manner from the photolysis of 1. Rearrangements of 1 to 5 and 6 are particularly of interest and their possible mechanisms were discussed.
Design and Synthesis of Depeptidized Macrocyclic Inhibitors of Hepatitis C NS3-4A Protease Using Structure-Based Drug Design (2005)

Hepatitis C virus (HCV) NS3, when bound to NS-4A cofactor, facilitates development of mature virons by catalyzing cleavage of a polyprotein to form functional and structural proteins of HCV. The enzyme has a shallow binding pocket at the catalytic site, making development of inhibitors difficult. We have designed, preorganized, and depeptidized macrocyclic inhibitors from P(4) to P(2)' and optimized binding to 0.1 microM. The structure of an inhibitor bound to the enzyme was also solved.
A Study of Fibre Attrition in the Processing of Long Fibre Reinforced Thermoplastics (1987)

Abstract A study has been carried out which demonstrates a technique for measuring long fibre lengths. This technique has been used successfully to discuss subtle differences in the fibre length di...
Structure and Photophysics of 2-(2‘-Pyridyl)benzindoles:  The Role of Intermolecular Hydrogen Bonds (2007)

The photophysical properties of two isomeric 2-(2'-pyridyl)benzindoles depend on the environment. Strong fluorescence is detected in nonpolar and polar aprotic solvents. In the presence of alcohols, the emission reveals an unusual behavior. Upon titration of n-hexane solutions with ethanol, the fluorescence intensity goes through a minimum and then increases with rising alcohol concentration. Transient absorption and time-resolved emission studies combined with ground- and excited-state geometry optimizations lead to the conclusion that two rotameric forms, syn and anti, coexist in alcohols, whereas in nonpolar and aprotic polar media, only the syn conformation is present. The latter can form cyclic complexes with alcohols, which are rapidly depopulated in the excited state. In the presence of excess alcohol, syn --> anti rotamerization occurs in the ground state, promoted by the cooperative action of nonspecific and specific effects such as solvent polarity increase and the formation of hydrogen bonds to both donor and acceptor sites of the bifunctional compounds.
Role of the beta(3)-adrenoceptor in urine storage in the rat: comparison between the selective beta(3)-adrenoceptor agonist, CL316, 243, and various smooth muscle relaxants. (2000)

The objective of this study was to compare the effects of a beta(3)-adrenoceptor (beta(3)-AR) agonist on bladder function and cardiovascular parameters in rats with those of several drugs that act on smooth muscle. CL316,243 (beta(3)-AR agonist), isoproterenol (nonselective beta-AR agonist), procaterol (beta(2)-AR agonist), verapamil (Ca(2+) antagonist), and papaverine (antispastic drug) each evoked a concentration-dependent relaxation of the detrusor in vitro. They also reduced bladder pressure in anesthetized rats, the beta-AR agonists apparently being more potent than the other drugs. Atropine (muscarinic antagonist) neither relaxed detrusor strips nor reduced bladder pressure. In anesthetized rats, CL316,243 and atropine each had only a slight influence on blood pressure and heart rate, but isoproterenol, procaterol, verapamil, and papaverine significantly affected cardiovascular function at the same dose range as that required to reduce bladder pressure. In cystometry experiments, CL316,243 (10 microg/kg i.v.), verapamil (1 mg/kg i.v.), and papaverine (1 mg/kg i.v.) all significantly prolonged micturition interval and increased bladder capacity, but did not change the residual urine volume after a micturition contraction. Procaterol (100 microg/kg i.v.) prolonged the micturition interval and increased both bladder capacity and residual urine volume (all significantly). Atropine (100 microg/kg i.v.) reduced micturition pressure and increased residual urine volume (both significantly). Because the human detrusor, like the rat detrusor, relaxes on beta(3)-AR stimulation, we conclude that this beta(3)-AR agonist may have potential in pollakiuria (frequent urination) as a therapeutic agent without cardiovascular side effects.
Design of wearable communication device for body protection from EM wave using the EBG structure (2010)

This paper presents a wearable communication device for body protection from electromagnetic wave using a electromagnetic bandgap (EBG) structure at a WCDMA band. Since wearable wireless communication devices are worked in the proximity or contact of the human body, a health risk from a electromagnetic fields generated by body worn devices is important. The EBG structures can suppress the propagation of surface current and act as a perfect magnetic conductor. Thus, it is capable of preventing a undesired electromagnetic wave from the wireless communication devices. The proposed wearable communication device has the PIFA with the EBG structure at a WCDMA band, frequency generator for the SAR testing and a dielectric case. It is a kind of watch phone worn on the human wrist. Simulation and experimental results demonstrate S-parameter, radiation pattern and the SAR value of the proposed structure.
Study on Organic Surface Modification of TiO_2 (2004)

Organic surface modification of TiO2 is studied .The optimal surface modifying agent is selected,the process conditions:concentration, the amount, time, temperature are discussed by orthogonal experiments,the optimal project is obtained.