gebhart/patrepeval huggingface dataset:
Three-Dimensional Quantitative Structure-Activity Relationships of Dioxins and Dioxin-like Compounds: Model Validation and Ah Receptor Characterization (1995)

In the present study we have utilized comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-activity relationship paradigm, to explore the physico-chemical requirements for binding to the Ah (dioxin) receptor. Recent developments by Gillner et al. [(1993) Mol. Pharmacol. 44, 336-345] prompted us to review and revise our previous CoMFA/QSAR model [Waller, C. L., and McKinney, J. D. (1992) J. Med. Chem. 36, 3660-3666] to include a structurally-diverse training set of Ah receptor ligands ranging in size from naphthalene to indolo[3,2-b]carbazole nuclei. An exhaustive validation process utilizing external test sets and hierarchical cluster analysis routines was employed during model construction and is discussed herein. The limitations of the approach presented herein are discussed with respect to predictive ability of the CoMFA/QSAR models, which is demonstrated to be dependent on a balance between structural diversity and redundancy in the molecules comprising the training set. The results of our modified CoMFA/QSAR model are consistent with and unify all previously established structure-activity relationships established for less structurally-diverse training sets of Ah receptor ligands. As a result of the more complete nature of the series of molecules under examination in the present study, the CoMFA/QSAR steric and electrostatic field contour plots as well as the essential and excluded volume plots provide for a more detailed characterization of the molecular binding domain of the Ah receptor. The implications of the CoMFA/QSAR model presented herein are explored with respect to quantitative hazard identification of potential toxicants.
One-Pot Protocol for Synthesis ofα-Organosulfonyloxy Ketones from Secondary Alcohols Using Hypervalent Iodine(V)–Mediated Oxidations (2009)

Abstract α-Tosyloxy ketones and α-mesyloxy ketones were directly prepared from alcohols in one pot by treatment with hypervalent iodine(V) reagents in combination with p-toluenesulfonic acid and methanesulfonic acid, respectively, in moderate to good yields. Reactions were also feasible under solvent-free conditions.
Quality factor boosting of bulk acoustic wave resonators based on a two dimensional array of high-Q resonant tanks (2020)

An innovative resonance excitation methodology of a two-dimensional array of uniformly patterned structure into extremely high-quality factor (Q) mode using engineered frequency-matched thin piezoelectric film on substrate (TPoS) transducer is demonstrated in this Letter. The passive Q-enhancement can be attained lithographically without adding to the power requirement of the system. A 500 nm thick piezoelectric material facilitates the inter-electrical-mechanical domain coupling, and the displacement generated at the transducer periphery drives the patterned 10 μm thick single crystal silicon plate into various resonant modes. Using this topology, unexplored modes can be generated as well by the forced vibration feature of the interacting resonant tanks. Utilizing a multiport port excitation scheme, multiple modes are explored, while the primary focus is maintained on the Lamé mode of the array. In vacuum for an operational frequency of 58.56 MHz, an exceptionally high-quality factor of 58 276 is attained with a motional resistance of 1250 Ω and this is the record-high figure of merit (f × Q = 3.4 × 1012) attained for aluminum nitride-based TPoS based resonators. This successful demonstration of the energy coupling scheme paves a path for the study of existing and investigation of unexplored high-Q modes spanning over a wide range of frequency, making these devices a potential candidate for radio frequency front-end applications. The CMOS compatibility of aluminum nitride makes it an attractive solution for achieving low phase noise monolithically integrated CMOS–microelectromechanical systems oscillators.
Analysis and Properties of Arabinoxylans from Discrete Corn Wet-Milling Fiber Fractions (2001)

Three fibrous corn wet-milling fractions, coarse fiber, fine fiber, and spent flake, were isolated. More highly valued uses are sought for these milling products, which are generally directed into the corn gluten feed product stream. Coarse fiber was further dissected into pericarp and aleurone layers. An alkaline hydrogen peroxide process was used to efficiently extract corn fiber gum (CFG) from each of the materials. CFG is a hemicellulose B arabinoxylan which also contains low levels of D,L-galactose and D-glucuronic acid. CFG yield information was obtained from each source, as well as structural information in terms of degrees of branching of the beta-D-xylopyranose backbone with alpha-L-arabinofuranosyl moieties. There were significant differences in degree of branching among the CFGs from the various fractions. A novel capillary electrophoresis procedure was developed to measure these differences. Solution viscosity differences among the CFGs were also observed.
Visual-Empirical Region-of-Influence Pattern Recognition Applied to Chemical Microsensor Array Selection and Chemical Analysis (1998)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTVisual-Empirical Region-of-Influence Pattern Recognition Applied to Chemical Microsensor Array Selection and Chemical AnalysisG. C. Osbourn, J. W. Bartholomew, A. J. Ricco, and G. C. FryeView Author Information Sandia National Laboratories, Albuquerque, New Mexico 87185-1423 Cite this: Acc. Chem. Res. 1998, 31, 5, 297–305Publication Date (Web):May 2, 1998Publication History Received3 June 1997Published online2 May 1998Published inissue 1 May 1998https://pubs.acs.org/doi/10.1021/ar970070jhttps://doi.org/10.1021/ar970070jresearch-articleACS PublicationsCopyright © 1998 American Chemical SocietyRequest reuse permissionsArticle Views192Altmetric-Citations34LEARN 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:Mixtures,Optimization,Physiology,Sensors,Volatile organic compounds Get e-Alerts
Fiber phase conjugator as reflecting mirror in an MOPA arrangement (1997)

Using stimulated Brillouin scattering (SBS) in glass fibers as phase-conjugating process, the field of applications of SBS phase-conjugators can be expanded, because fibers offer a low power threshold and a stable behavior even at high peak and average input powers. We have developed a new kind of phase-conjugator consisting of multimode quartz fibers with core diameters between 50 and 400 micrometers . In contrast to commonly used toxic liquids or gases under high pressure as SBS-materials, fibers are harmless to the environment and can be handled easily. Such fiber SBS-mirrors were characterized with respect to the phase conjugating parameters like threshold, reflectivity and fidelity. We achieved reflectivities of more than 50 percent, 93 percent fidelity, and less than 2 kW power threshold at 1 micrometers wavelength. A depolarization of the light could be reduced to less than 0.5 percent by proper configuration of the fiber. High power densities of more than 50 MW/cm<SUP>2</SUP> do not damage the phase conjugator. These new phase conjugators were applied in high-power Nd:YALO-MOPA-systems for the first time. Good beam quality at an average output power of more than 100 W was achieved at 1.08 micrometers wavelength.
ChemInform Abstract: Diastereoselective Fluorination of Silylated 1,2‐Oxazines to Access Fluorinated N,O‐Heterocycles. (2008)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Estudio analitico de especies oxigenadas en el aceite de teobroma ozonizado (2008)

OXYGENATED SPECIES IN THE OZONIZED THEOBROMA OIL. Ozonization of theobroma oil at different applied ozone dosages was carried out with measurement of peroxide index values, oxygen percentage content and fatty acids composition. The comparison of peroxide values with percentage content of oxygen at different applied ozone dosages showed good correlation (r=0.9923). Unsaturated fatty acids and triacylglycerols decrease with ozone applied dosage due to ozone reaction with double bonds. Small amounts of oleic acid were consumed with applied ozone dosage at 35 mg/g, which demonstrated that peroxide values and oxygen content were not principally increased by the ozone attack on the double bonds, but other mechanisms could be involved in the reaction system.
A Cost-Effective Transition between a Microstrip Line and a Post-Wall Waveguide Using a Laminated LTCC Substrate in 60-GHz Band (2007)

Transitions between a post-wall waveguide and a microstrip line are proposed as the key components for cost-effective millimeter-wave modules. A transition with a coaxial structure is investigated for LTCC laminated layers and 11.3% bandwidth for the reflection smaller than -15dB is realized in 60 GHz band. The overall connector loss with 1 cm post-wall would be about 0.8 dB. The degradation due to fabrication error is also assessed. The transition in LTCC substrate fulfills electrical and manufacturing demands in millimeter-wave bands.
Succinic Semialdehyde as a Substrate for the Formation of γ‐Aminobutyric Acid (1985)

The conversion of succinic semialdehyde into gamma-aminobutyric acid (GABA) by GABA-transaminase was measured in rat brain homogenate in the presence of different concentrations of the cosubstrate glutamate. The calculated kinetic parameters of succinic semialdehyde for GABA-transaminase were a limiting Km value of 168 microM and a limiting Vmax value of 38 mumol g-1 h-1. Combination with previously obtained data for the conversion of GABA into succinic semialdehyde revealed a kEq value of 0.04, indicating that equilibrium of GABA-transaminase is biased toward the formation of GABA. The increased formation of GABA in the presence of succinic semialdehyde was not due to an increased conversion of glutamate into GABA by glutamic acid decarboxylase. Therefore these results indicate that succinic semialdehyde can act as a precursor for GABA synthesis.
Aliasing artifact depicted on ultrasound (US)-elastography for breast cystic lesions mimicking solid masses (2011)

An aliasing artifact that appears as a blue-green-red pattern in a breast mass as depicted on US-elastography is suggestive of a possible cystic breast lesion.
Supramolecular design of self-assembling nanofibers for cartilage regeneration (2010)

Molecular and supramolecular design of bioactive biomaterials could have a significant impact on regenerative medicine. Ideal regenerative therapies should be minimally invasive, and thus the notion of self-assembling biomaterials programmed to transform from injectable liquids to solid bioactive structures in tissue is highly attractive for clinical translation. We report here on a coassembly system of peptide amphiphile (PA) molecules designed to form nanofibers for cartilage regeneration by displaying a high density of binding epitopes to transforming growth factor beta-1 (TGFbeta-1). Growth factor release studies showed that passive release of TGFbeta-1 was slower from PA gels containing the growth factor binding sites. In vitro experiments indicate these materials support the survival and promote the chondrogenic differentiation of human mesenchymal stem cells. We also show that these materials can promote regeneration of articular cartilage in a full thickness chondral defect treated with microfracture in a rabbit model with or even without the addition of exogenous growth factor. These results demonstrate the potential of a completely synthetic bioactive biomaterial as a therapy to promote cartilage regeneration.
Hepatitis C: Antivirale Therapie bei älteren Patienten (2010)

Einleitung: Das Alter des Patienten spielt hinsichtlich des Verlaufs einer chronischen Hepatitis C (Fibroseprogession/Leberzirrhose/Hepatozelluläres Karzinom) eine wichtige Rolle. Die antivirale Therapie bei älteren Patienten (&gt;=60 Jahre) ist häufig aufgrund einer eingeschränkten kardiovaskulären, pulmonalen oder renalen Funktion nur bedingt möglich. Zudem sinken die Chancen auf ein dauerhaftes virologisches Ansprechen (SVR) mit zunehmendem Alter.
Identification of Dysbetalipoproteinemia by an Enhanced Sampson-NIH Equation for Very Low-Density Lipoprotein-Cholesterol (2022)

Dysbetalipoproteinemia (hyperlipoproteinemia type III, HLP3) is a genetic disorder that results in the accumulation of cholesterol on highly atherogenic remnant particles. Traditionally, the diagnosis of HLP3 depended upon lipoprotein gel electrophoresis or density gradient ultracentrifugation. Because these two methods are not performed by most clinical laboratories, we describe here two new equations for estimating the cholesterol content of VLDL (VLDL-C), which can then be used for the diagnosis of HLP3. Using results from the beta-quantification (BQ) reference method on a large cohort of dyslipidemic patients (N = 24,713), we identified 115 patients with HLP3 based on having a VLDL-C to plasma TG ratio greater than 0.3 and plasma TG between 150 and 1,000 mg/dl. Next, we developed two new methods for identifying HLP3 and compared them to BQ and a previously described dual lipid apoB ratio method. The first method uses results from the standard lipid panel and the Sampson-NIH equation 1 for estimating VLDL-C ( <b><i>S</i></b> -VLDL-C), which is then divided by plasma TG to calculate the VLDL-C/TG ratio. The second method is similar, but the Sampson-NIH equation 1 is modified or enhanced ( <b><i>eS</i></b> -VLDL-C) by including apoB as an independent variable for predicting VLDL-C. At a cut-point of 0.194, the first method showed a modest ability for identifying HLP3 (sensitivity = 73.9%; specificity = 82.6%; and area under the curve (AUC) = 0.8685) but was comparable to the existing dual lipid apoB ratio method. The second method based on <b><i>eS</i></b> -VLDL-C showed much better sensitivity (96.5%) and specificity (94.5%) at a cut-point of 0.209. It also had an excellent AUC score of 0.9912 and was superior to the two other methods in test classification. In summary, we describe two new methods for the diagnosis of HLP3. The first one just utilizes the results of the standard lipid panel and the Sampson-NIH equation 1 for estimating (VLDL-C) ( <b><i>S</i></b> -VLDL-C) and can potentially be used as a screening test. The second method ( <b><i>eS</i></b> -VLDL-C), in which the Sampson-NIH equation 1 is modified to include apoB, is nearly as accurate as the BQ reference method. Because apoB is widely available at most clinical laboratories, the second method should improve both the accessibility and the accuracy of the HLP3 diagnosis.
Структурно-функциональные изменения сердца при гиперфункции надпочечников (2009)

Сергийко СВ., кандидат медицинских наук, доцент, доцент кафедры общей хирургии Челябинской государственной медицинской академии (Челябинск). Тел.: 8-351-232-67-94; e-mail: mpc74@list.ru Sergijko S.V., the candidate of medical sciences, the senior lecturer, the senior lecturer of chair of the general surgery department of Chelyabinsk State&#13;\nMedical Academy (Chelyabinsk). Phone: 8-351-232-67-94; e-mail: mpc74@list.ru. Привалов В.А., доктор медицинских наук, профессор, заведующий кафедрой общей хирургии&#13;\nЧелябинской государственной медицинской академии (Челябинск). Тел.: 8-351-232-67-05. Privalov V.A., Halts of Century A the doctor of medical sciences, the professor managing department of the general surgery of Chelyabinsk State Medical Academy (Chelyabinsk). Phone: 8-351-232-67-05. Лукьянов C.A., врач-хирург городской клинической больницы №1 (Челябинск). Тел.: 8-351-232-68-91. Lukjanov S.A., the doctor-surgeon of city clinical&#13;\nhospital №1 (Chelyabinsk). Phone: 8-351-232-68-91. Палысо Н.Н., аспирант кафедры пропедевтики внутренних болезней Челябинской государственной медицинской академии, заведующая отделением функциональной диагностики Челябинской&#13;\nгосударственной клинической больницы № 1 (Челябинск). Тел.: 8-351-232-67-03.&#13;\nPalko N.N., the post-graduate student of department of propaedeutics of internal illnesses of Chelyabinsk State Medical Academy, managing branch of functional diagnostics of Chelyabinsk state clinical hospital № 1 (Chelyabinsk). Phone: 8-351-232-67-03.
Effect of low concentrations of clavulanic acid on the in-vitro activity of amoxycillin against β-lactamase-producing Branhamella catarrhalis and Haemophilus influenzae (1990)

Concentrations of amoxycillin/clavulanic acid achievable in the respiratory tract following oral dosage were assessed for in-vitro activity against beta-lactamase-producing strains of Branhamella catarrhalis and Haemophilus influenzae. In agar-dilution studies, 8 mg amoxycillin/l was required to inhibit 45 strains of beta-lactamase-producing B. catarrhalis, whereas all the strains were inhibited by 0.5 mg amoxycillin/l in the presence of 0.01 mg clavulanic acid/l. Similarly, 0.1 mg amoxycillin plus 0.05 mg clavulanic acid/l were bactericidal against beta-lactamase-producing strain of B. catarrhalis and prevented regrowth within 24 h. In tests against 43 beta-lactamase-producing strains of H. influenzae, concentrations of up to 128 mg amoxycillin/l were required for inhibition, whereas 32 strains (75%) were fully sensitive to amoxycillin (MIC 0.5 mg/l) in the presence of 0.12 mg clavulanic acid/l. These concentrations of amoxycillin/clavulanic acid were also bactericidal for a beta-lactamase-producing strain of H. influenzae. The study therefore showed that amoxycillin/clavulanic acid, at concentrations similar to those likely to be achieved in the respiratory tract following oral dosage, was bactericidal in vitro for beta-lactamase-producing isolates of B.catarrhalis and H. influenzae.
Exposure of pregnant women to organophosphate insecticides and motor inhibition evaluated by functional MRI at the age of 10 to 12 years (PELAGIE mother-child cohort) (2019)

OPS 55: Pesticides and neurological outcomes, Room 412, Floor 4, August 26, 2019, 1:30 PM - 3:00 PM Organophosphate insecticides (OP) are widely used for agricultural purposes because of their acute toxicity and non-persistence. Epidemiological studies suggest a neurotoxicity in children, after exposure at low levels but possible pathways remain unclear. The present study aims at investigating effects of prenatal exposure to OP on inhibition control of 10-12 year-old children assessed by a motor inhibition task during functional MRI (fMRI) sequence. Ninety-five children from the PELAGIE cohort (Brittany-France, from 2002) underwent fMRI examination during which inhibition was assessed with a Go/No-Go task: they were asked to press a button as quickly as possible in response to green smileys but not press when seeing a red smiley (300 items, 10 minutes). Task performance was assessed by average reaction time (RT), commission rate (CR) and composite performance score (PS). Whole brain activations were estimated by modeling hemodynamic response related to successful inhibition and inhibition demand perception. OP exposure was assessed by measuring six dialkylphosphate (DAP) metabolites in urine of women in early pregnancy (<19 WG). Concentrations were summed to obtain overall levels of diethylphosphate (DE), dimethylphosphate (DM) and total non-specific metabolites (DAP), standardized to homogenize sampling conditions and categorized into levels of exposure: low (reference), moderate or high. Regression models were adjusted on potential cofounders considered by restriction and statistical criteria. Moderate levels of DAP were associated with decreased CR (p=0.04), without increased PS. There was a suggested lower PS in association with moderate DE levels (p=0.06). Moderate DE and highest DM levels were associated with decreased brain activities in bilateral middle frontal or left anterior cingular regions during successful inhibition. We didn’t report any differential activitions related to inhibition demand perception. We suggested associations between prenatal OP exposure and motor inhibition, in particular differential brain activity in areas related to inhibition, which required to be confirmed by others studies.
Color coded perfusion imaging with contrast enhanced ultrasound (CEUS) for post-interventional success control following trans-arterial chemoembolization (TACE) of hepatocellular carcinoma (2019)

CEUS with color- coded perfusion imaging is a valuable supporting tool for post-interventional success control following TACE of liver lesions. Peak enhancement seems to be the most valuable parameter.
Chronic Endothelin-1 Treatment Leads to Insulin Resistance In Vivo (2003)

We determined whether chronic endothelin-1 (ET-1) treatment could lead to in vivo insulin resistance. Like insulin, ET-1 acutely stimulated glucose transport in isolated soleus muscle strips of WKY rats. ET-1 pretreatment (1 h) decreased insulin-stimulated glucose transport in muscle strips (-23%). Both ET-1-mediated effects were generated through ET(A) receptors, because a specific ET(A) receptor antagonist (BQ610) blocked these effects of ET-1. Osmotic minipumps were used to treat normal rats with ET-1 for 5 days. Subsequent hyperinsulinemic-euglycemic clamps showed that ET-1 treatment led to an approximately 30% decrease in insulin-stimulated glucose disposal rates in male and female rats. In addition, ex vivo study of soleus muscle strips showed decreased glucose transport into muscle from ET-1-treated animals. With respect to insulin signaling, chronic in vivo ET-1 treatment led to a 30-40% decrease in IRS-I protein content, IRS-I-associated p110(alpha), and AKT activation. In summary, 1) in vitro ET-1 pretreatment leads to decreased insulin-stimulated glucose transport in skeletal muscle strips; 2) chronic ET-1 administration in vivo leads to whole-body insulin resistance, with decreased skeletal muscle glucose transport and impaired insulin signaling; and 3) elevated ET-1 levels may be a cause of insulin resistance in certain pathophysiologic states.
Electrosynthesis of Pd Single-Crystal Nanothorns and Their Application in the Oxidation of Formic Acid (2008)

With a square wave electrochemical reduction method, Pd single-crystal nanothorns (Pd NTs) are prepared at room temperature, without template or surfactant. By varying the potentials applied, we can control the length and accumulation state of the Pd NTs. TEM study shows that the growth of the thorn occurs along the (22̅0) plane. The nanothorn is made by a succession of epitaxic dodecahedrons of decreasing sizes aligned in the direction of the (111) plane. The surface chemical state of the Pd NTs is studied with XPS. Pd NTs have higher catalytic activity than commercial Pd black for the oxidation of formic acid.