gebhart/patrepeval huggingface dataset:
Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds (1972)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTGauche effect. Stereochemical consequences of adjacent electron pairs and polar bondsSaul WolfeCite this: Acc. Chem. Res. 1972, 5, 3, 102–111Publication Date (Print):March 1, 1972Publication History Published online1 May 2002Published inissue 1 March 1972https://pubs.acs.org/doi/10.1021/ar50051a003https://doi.org/10.1021/ar50051a003research-articleACS PublicationsRequest reuse permissionsArticle Views1852Altmetric-Citations732LEARN 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
Kidney-type glutaminase (GLS1) is a biomarker for pathologic diagnosis and prognosis of hepatocellular carcinoma (2015)

The lack of sensitive and specific biomarkers hinders pathological diagnosis and prognosis for hepatocellular carcinoma (HCC). Since glutaminolysis plays a crucial role in carcinogenesis and progression, we sought to determine if the expression of kidney-type and liver-type glutaminases (GLS1 and GLS2) were informative for pathological diagnosis and prognosis of HCC. We compared the expression of GLS1 and GLS2 in a large set of clinical samples including HCC, normal liver, and other liver diseases. We found that GLS1 was highly expressed in HCC; whereas, expression of GLS2 was mainly confined to non-tumor hepatocytes. The sensitivity and specificity of GLS1 for HCC were 96.51% and 75.21%, respectively. A metabolic switch from GLS2 to GLS1 was observed in a series of tissues representing progressive pathologic states mimicking HCC oncogenic transformation, including normal liver, fibrotic liver, dysplasia nodule, and HCC. We found that high expression of GLS1 and low expression of GLS2 in HCC correlated with survival time of HCC patients. Expression of GLS1 and GLS2 were independent indexes for survival time; however, prognosis was predominantly determined by the level of GLS1 expression. These findings indicate that GLS1 expression is a sensitive and specific biomarker for pathological diagnosis and prognosis of HCC.
Nonpeptidic Inhibitors of Human Neutrophil Elastase. 7. Design, Synthesis, and in Vitro Activity of a Series of Pyridopyrimidine Trifluoromethyl Ketones (1996)

Using molecular modeling and the information derived from X-ray crystal structures of human neutrophil elastase (HNE) and porcine pancreatic elastase (PPE) complexed to peptidic ligands, we have developed a new series of nonpeptidic inhibitors of HNE, the pyridopyrimidine trifluoromethyl ketones (TFMKs). These bicyclic inhibitors were designed to extend the concept of the related pyridone trifluoromethyl ketones by incorporating a rigidly positioned carbonyl group to participate in a hydrogen bonding interaction with the backbone NH groups of Gly-218 and Gly-219 of the enzyme. In addition, the pyrimidine ring serves as a scaffold to vector substituents toward the S5-S4 subsites of the enzyme's extended binding pocket. Furthermore, the heteroatoms of the pyrimidine ring generally increase the aqueous solubility of the pyridopyrimidines relative to pyridone TFMKs. Pyridopyrimidine TFMKs containing a 6-phenyl substituent afforded potent inhibitors of elastase, and several inhibitors from this class of compounds possessed aqueous solubilities of > 0.1 mg/mL and Ki values of < or = 10 nM.
Intratissue surgery with 80 MHz nanojoule femtosecond laser pulses in the near infrared (2002)

The use of 1 nanojoule near infrared 80 MHz femtosecond laser pulses for highly precise intratissue processing, in particular for intraocular refractive surgery, was evaluated. Destructive optical breakdown at TW/cm2 light intensities in a subfemtoliter intrastromal volume was obtained by diffraction-limited focussing with an 40x objective (N.A. 1.3) and beam scanning 50 to 140 microm below the epithelial surface. Using the same system at GW/cm2 intensities two-photon excited autofluorescence imaging was used to determine the target of interest and to visualize intraocular laser effects. Histological examination of laser-exposed porcine eyes reveal a minimum cut size below 1 microm without destructive effects to surrounding tissues.
Optimizing iron delivery in the management of anemia: patient considerations and the role of ferric carboxymaltose (2014)

With the challenge of optimizing iron delivery, new intravenous (iv) iron-carbohydrate complexes have been developed in the last few years. A good example of these new compounds is ferric carboxymaltose (FCM), which has recently been approved by the US Food and Drug Administration for the treatment of iron deficiency anemia in adult patients who are intolerant to oral iron or present an unsatisfactory response to oral iron, and in adult patients with non-dialysis-dependent chronic kidney disease (NDD-CKD). FCM is a robust and stable complex similar to ferritin, which minimizes the release of labile iron during administration, allowing higher doses to be administered in a single application and with a favorable cost-effective rate. Cumulative information from randomized, controlled, multicenter trials on a diverse range of indications, including patients with chronic heart failure, postpartum anemia/abnormal uterine bleeding, inflammatory bowel disease, NDD-CKD, and those undergoing hemodialysis, supports the efficacy of FCM for iron replacement in patients with iron deficiency and iron-deficiency anemia. Furthermore, as FCM is a dextran-free iron-carbohydrate complex (which has a very low risk for hypersensitivity reactions) with a small proportion of the reported adverse effects in a large number of subjects who received FCM, it may be considered a safe drug. Therefore, FCM appears as an interesting option to apply high doses of iron as a single infusion in a few minutes in order to obtain the quick replacement of iron stores. The present review on FCM summarizes diverse aspects such as pharmacology characteristics and analyzes trials on the efficacy/safety of FCM versus oral iron and different iv iron compounds in multiple clinical scenarios. Additionally, the information on cost effectiveness and data on change in quality of life are also discussed.
Design of flexible multi-mode fiber endoscope (2015)

Multi-mode fiber (MMF) endoscopes are extremely thin and have higher spatial resolution than conventional endoscopes; however, all current MMF endoscope designs require either that the MMF remain rigid during insertion and imaging or that the orientation of the MMF be known. This limits their possible medical applications. We describe an MMF endoscope design that allows the MMF to be arbitrarily bent as it is maneuvered to the target site prior to imaging. This is achieved by the addition of a partial reflector to the distal end of the MMF, which allows measurement of the mode coupling in the MMF using the reflected light arriving at the proximal end of the MMF. This measurement can be performed while the distal end of the endoscope is not directly accessible, as when the endoscope is being maneuvered. We simulate imaging through such a flexible MMF endoscope, where the MMF is step-index with 1588 spatial modes, and obtain an image even after the mode coupling matrix of the MMF is altered randomly, corresponding to an unknown bending of the MMF.
PREPARATION OF 2-AMINOETHYLSULFONIC ACID (2010)

Normal 0 false false false IN X-NONE X-NONE MicrosoftInternetExplorer4 Preparation process of 2-aminoethylsulfonic acid (taurine) from ethanolamine, sulfuric acid and sodium sulfite has been studied. The process involves two steps of reactions, the first was esterification of ethanolamine (H 2 N-CH 2 -CH 2 -OH) with sulfuric acid to produce the intermediate product of 2-aminoethyl ester (H 2 N-CH 2 -CH 2 -OSO 3 H) which then was extended to the second step by sulfonation with sodium sulfite to produce 2-aminoethylsulfonic acid (H 2 N-CH 2 -CH 2 - SO 3 H). These &nbsp; two process conditions were observed by varying mole ratio of reactants, temperature and time period of reactions. &nbsp; Taurine product was qualitatively analyzed using 1 H-NMR and LC-MS. Physical-chemical analysis were done by observing its melting point and determining its water, chloride and sulfate contents. Its melting point, water content, and sulfate content were 290 o C, 0.303%, and 3 ppm, respectively, while its chloride content was undetected. After purification, the yield of process was 25.57%. Keywords: 2-aminoethylsulfonic acid, esterification, sulfonation, 1 H-NMR, LC-MS
Behavioral modeling and simulation of high-speed analog-to-digital converters using SystemC (2003)

This work presents a software framework for rapid behavioral modeling and simulation of analog-to-digital converters (ADCs). The framework is based on the SystemC C++ class libraries and has proven to be an effective tool for exploring different system-level architectures in the early stages of the design process. Post-processing analysis tools are included for static and dynamic performance calculation. To compare the performance of our SystemC framework with Verilog, a 12 bit pipelined ADC is modeled and simulated, and we report on the results of the comparison.
Abstract 1786: Development and pharmacological properties of PEGylated glucuronide-auristatin linkers (2014)

Abstract Antibody-drug conjugates (ADCs) are an emerging therapeutic modality for the treatment of cancer, exemplified by the recent clinical success of brentuximab vedotin and ado-trastuzumab emtansine. The majority of ADCs currently in development include functionalities that are hydrophobic, resulting in increased plasma clearance. Consequently, there has been significant interest in generating new linkers that compensate for this potential liability. In an attempt to mitigate the pharmacokinetic impact of monomethylauristatin E (MMAE) when conjugated to an antibody, we prepared drug-linkers incorporating a polyethylene glycol (PEG) polymer. Initial work demonstrated that incorporation of a discrete PEG24 polymer into the cleavable β-glucuronide-MMAE linker system could either increase or decrease the plasma clearance of the resulting ADCs, depending upon the configuration of the PEG. When inserted into the drug-linker as a stretcher unit between the maleimide and the cleavage site, PEG24 elicited increased ADC plasma clearance. Conversely, incorporation of the PEG24 as a side chain from a modified lysine residue adjacent to the maleimide resulted in ADCs with slower clearance. These differences in ADC pharmacokinetics translated into corresponding differences in antitumor activity in two xenograft models. Thus, incorporation of PEG24 into ADC linkers impacts both pharmacokinetics and activity in a structure-dependent manner. Citation Format: Patrick J. Burke, Joseph Z. Hamilton, Joshua H. Hunter, Scott C. Jeffrey, Svetlana O. Doronina, Nicole M. Okeley, David W. Meyer, Peter D. Senter, Robert P. Lyon. Development and pharmacological properties of PEGylated glucuronide-auristatin linkers. [abstract]. In: Proceedings of the 105th Annual Meeting of the American Association for Cancer Research; 2014 Apr 5-9; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2014;74(19 Suppl):Abstract nr 1786. doi:10.1158/1538-7445.AM2014-1786
Genes encoding bile salt hydrolases and conjugated bile salt transporters in Lactobacillus johnsonii 100-100 and other Lactobacillus species (2001)

Lactobacillus johnsonii strain 100-100 expresses two antigenically distinct conjugated bile salt hydrolases (BSH), alpha and beta, that combine to form native homo- and heterotrimers. This paper reports characterization of loci within the genome that encode this capacity. A locus that encodes BSH beta (cbsH beta), a partial (cbsT1) and a complete conjugated bile salt transporter (cbsT2) was identified previously. DNA sequence analysis at this locus was extended and revealed a complete ORF for cbsT1 and no other ORFs in tandem. The three genes, cbsT1, cbsT2 and cbsH beta, probably constitute an operon; a putative promoter was identified upstream of cbsT1. A second locus that expresses BSH activity in strain 100-100 was identified. Sequence analysis of the clone predicted a 978 nt ORF that did not share tandem organization with other ORFs, was similar in sequence to other BSH genes, and matched, in predicted protein sequence, the first 25 amino acids of BSH alpha. A phenotypic screen for BSH activity and a genetic screen for the cbsH beta locus were performed on 50 Lactobacillus isolates from humans or dairy products. Nearly all of the isolates that were positive for cbsH beta were from human sources. Variability in the BSH phenotype and cbsH beta genotype was identified in isolates of the same species. DNA sequence was obtained and analysed from the cbsH beta locus of one human isolate, L. acidophilus strain KS-13. This organism has cbsT1, cbsT2 and cbs beta genes that are 84, 87 and 85% identical in DNA sequence to those of strain 100-100. DNA sequence identity to strain 100-100 ends in regions flanking this locus. The findings of this study suggest that BSH genes have been acquired horizontally and that BSH activity is important at some level for lactobacilli to colonize the lower gastrointestinal tract.
Forced usage of positively charged amino acids in immunoglobulin CDR-H3 impairs B cell development and antibody production (2006)

Tyrosine and glycine constitute 40% of complementarity determining region 3 of the immunoglobulin heavy chain (CDR-H3), the center of the classic antigen-binding site. To assess the role of D(H) RF1-encoded tyrosine and glycine in regulating CDR-H3 content and potentially influencing B cell function, we created mice limited to a single D(H) encoding asparagine, histidine, and arginines in RF1. Tyrosine and glycine content in CDR-H3 was halved. Bone marrow and spleen mature B cell and peritoneal cavity B-1 cell numbers were also halved, whereas marginal zone B cell numbers increased. Serum immunoglobulin G subclass levels and antibody titers to T-dependent and T-independent antigens all declined. Thus, violation of the conserved preference for tyrosine and glycine in D(H) RF1 alters CDR-H3 content and impairs B cell development and antibody production.
Mesenteric blood flow is related to disease activity and risk of relapse in ulcerative colitis: a prospective follow up study (1999)

Flow measurements in the IMA are closely related to clinical and endoscopic disease activity in patients with ulcerative colitis. Repeated measurement of the PI allows estimation of the risk of recurrence.
Cardiovascular toxicity and tissue proton T1 response to manganese injection in the dog and rabbit (1983)

Paramagnetic substances that shorten proton T1 relaxation time have promise as nuclear magnetic resonance (NMR) contrast agents. The cardiovascular toxicity and tissue T1 response to 0.01-0.1 mM/kg intravenous doses of MnCl2 in rabbits and dogs were studied. There were dose-dependent changes in cardiac electrophysiology and arterial blood pressure consistent with the calcium-blocking properties of manganous ion. There were also dose-dependent and organ-specific changes in tissue proton T1. The sensitivity of organ T1 was expressed as the dose of manganese required to shorten the normal T1 by 50%. Liver, kidney, and heart were most sensitive, while skeletal muscle and adipose tissue were insensitive. MnCl2 is an effective NMR contrast agent, but its toxicity may be excessive for clinical use.
Association of FMR1 Genotypes with In Vitro Fertilization (IVF) Outcomes Based on Ethnicity/Race (2011)

The FMR1 gene, mapping to an area of the X chromosome closely associated with autoimmunity also affects ovarian reserve, with specific genotypes associated with distinct ovarian aging patterns. They, therefore, could also be associated with differences of in vitro fertilization (IVF) outcomes, reported between races/ethnicities. We analyzed 339 consecutive IVF patients, 232 Caucasian, 59 African and 48 Asian, for FMR1 genotypes, and tested by multiple logistic regressions for associations between race/ethnicity, FMR1 genotype, autoimmunity and pregnancy chances with IVF. FMR1 genotypes were predictive of pregnancy (P = 0.046), het-norm/low most significantly and with decreasing chance in comparison to norm genotypes (OR 0.44; 95% CI 0.23-0.85; P = 0.014). Race/ethnicity was, overall, independently associated (P = 0.03), African demonstrating decreased odds in comparison to Caucasian (OR 0.33. 95%CI 0.13-0.79; P = 0.014). Autoimmunity did not differ but interaction of autoimmunity with FMR1 genotype almost reached significance (P = 0.07). Logistic regression with race/ethnicity and interaction between FMR1 genotype and autoimmunity in the model, demonstrated 2.5-times the odds of being associated with autoimmune positivity (OR 2.5, 1.34-4.55; P = 0.004). FMR1 genotypes offer a possible explanation for differences in IVF outcomes between races/ethnicities.
Changes in the islets of langerhans in the obese Zucker rat. (1977)

Pancreatic islet tissue from lean and obese Zucker rats was investigated with histologic and immunocytochemical techniques, and the changes in cytologic composition were correlated with levels of serum glucose, lipids, and insulin. The insular changes in obese rats progressed in severity with increasing age. Changes consisted of pronounced insulin cell hyperplasia, disarrangement of islet architecture, and disappearance (degranulation?) of a new islet cell type, the pancreatic polypeptide cell. High levels of free fatty acids, triglyceride, and insulin were detected in serum of obese rats. Upon diet restriction, these parameters decreased and islet morphology became normalized. When obese Zucker rats were treated with streptozotocin, high levels of serum free fatty acids and triglycerides remained but there was a great reduction in serum insulin levels to near normal levels. Pancreatic polypeptide cells werenot found in the islets. It is suggested that high free fatty acid and triglyceride levels in obese rats may be related to the inability to demonstrate pancreatic polypeptide cells in the islets of 100- to 300-day-old obese Zucker rats.
A new carbon fiber from lignin (1992)

Abstract A new carbon fiber was prepared from the lignin (steam‐exploded lignin), which was isolated from steam‐exploded birch wood (Betula platyphylla). The lignin was modified to melt thermally on hydrogenolysis. The chloroform soluble and carbon disulfide insoluble fraction (HL) of the reaction products was heated at 300–350°C for 30 min, giving a molten viscous material (HHL). The HHL had a softening point of 110°C and melted at over 145°C to form viscous liquid. When HHL was subjected to a spinning test, according to a conventional fusion spinning method at a speed over 100 m/min, a fine filament could be continuously formed through a pinhole (diameter: 0.3 mm). After the filaments were heated in air at 1–2°C/min up to 210°C, by which time the filament was converted to have an infusible property, the filaments were carbonized by heating from a room temperature to 1000°C at a heating rate of 5°C/min in a stream of nitrogen. The typical properties of the lignin based carbon fiber were as follows: Fiber diameter = 7.6 ± 2.7μ Elongation = 1.63 ± 0.29% Tensile strength = 660 ± 230 MPa; Modulus of elasticity = 40.7 ± 6.3 GPa. The chemical structure of the precursor was remarkably changed from that of the original lignin, indicating the elimination of aliphatic functional groups implied originally in the starting material.
Elevated temperature and tyrosine iodination aid in the crystallization and structure determination of an antifreeze protein (2002)

Production and refolding of recombinant Choristoneura fumiferana antifreeze protein (CfAFP) leads to a disulfide-bonded product containing dynamic conformational microheterogeneity. Difficulties in the crystallization of this protein arising from its microheterogeneity were overcome by screening of crystallization conditions at various temperatures and finally using a temperature of 318 K to obtain diffraction-quality crystals. In addition, heavy-atom derivatization of this protein required the iodination of a specific tyrosine residue, leading to the successful single anomalous scattering (SAS) structure determination. The techniques of higher temperature screening, to reduce dynamic conformational microheterogeneity, and defined tyrosine iodination, for specific heavy-atom incorporation, are methods which can be employed with other proteins to aid in structure determination.
Efficient inverted organic light-emitting devices with self or intentionally Ag-doped interlayer modified cathode (2014)

Green phosphorescent inverted organic light-emitting devices (IOLEDs) with self or intentionally Ag-doped interlayer modified cathode were demonstrated. The IOLEDs show low driving voltage and high efficiency. For example, the efficiency of inverted bottom-emitting OLED with ITO cathode is comparable with the conventional bottom-emitting OLED with ITO anode. The top-emitting IOLED with Ag cathode shows high current efficiency of 76.4 cd/A which is 2.38 times of that of the conventional bottom-emitting OLED with ITO anode. The results indicate that the electron injection from cathode was observably improved by the Ag-doped interlayer and such interlayer is cathode independent relatively.
Spatial Profiling with MALDI MS:  Distribution of Neuropeptides within Single Neurons (2003)

MALDI MS imaging and single-cell profiling are important new capabilities for mass spectrometry. The distribution of neuropeptides within a cell plays an important role in the functioning of the cells in a neuronal network. Protocols for subcellular MALDI MS are described that allow comparative peptide profiling of cell bodies and the neuronal processes (neurites) using single isolated neurons from the neuronal model Aplysia californica. The seawater surrounding the neurons is problematic for mass spectrometry and so must be removed in a manner that does not cause morphological changes or a redistribution of the neuropeptides. Several protocols have been investigated for subcellular spatial profiling, including the use of air-drying, replacement of the seawater with deionized water, and substitution of the cell matrix with fluorinert, mineral oil and glycerol, as well as paraformaldehyde fixation. Glycerol stabilization offers the best combination of preservation of cell morphology and prevention of neuropeptide redistribution. The profiles of the peptides in specific neuronal processes and the cell bodies demonstrate a variety of differences that appear to be cell-specific. These methods are suitable for smaller cells and subcellular MS imaging.
MEMS and Si micromachined circuits for high-frequency applications (2002)

RF micromachining and microelectromechanical structure (MEMS) technology promise to provide an innovative approach in the development of effective and low-cost circuits and systems. This technology is expected to have significant application in the development of low-cost antenna arrays and reconfigurable apertures, due to its potential to support novel systems architectures. This paper presents a brief history and the state-of-the-art in the development of RF MEMS devices, with primary emphasis on switches and Si-micromachined circuit components for use in high-performance high-density on-wafer packaged circuits.