gebhart/patrepeval huggingface dataset:
Preparation of New Catalysts by the Immobilization of Palladium(II) Species onto Silica:  An Investigation of Their Catalytic Activity for the Cyclization of Aminoalkynes (2001)

Silica-immobilized palladium catalysts are readily prepared by treating partially dehydroxylated silica with solutions of the palladium(II) complexes, cis-[PdMeXL2] (X = Me, L2 = dmpe; X = Cl, L2 = dmpe, dppe, phen, bipy, 2PMe3), trans-[PdMeXL2] (X = Cl, NO3, OTf, L = PMe3; X = Cl, L = PPh3), or [PdPh(OH)L]2 (L = PPh3, PCy3), at room temperature. A chemisorption reaction is presumed to occur on the surface Si-OH groups, with elimination of 1 equiv of methane, benzene, or water and the initial formation of a covalent Pd-O bond to the silica surface. The amount of chemisorbed material is strongly dependent on the nature of the complex employed, and the Pd content of the materials, determined by ICP analysis, was found to vary widely (from 1.47 to 0.021 wt %). It appears that the complexes stabilized by more basic ligands undergo a more facile reaction with the surface. The catalytic activity of the materials was first tested in the cyclization of 6-aminohex-1-yne. Higher conversions were found for those catalysts containing more basic ligands, due to the higher loadings, and for those complexes containing more weakly coordinating anions. Silica/trans-[PdMe(NO3)(PMe3)2] was identified as the best catalyst and was used to test the generality of the catalytic cyclization method with two other alkynes, namely, 5-phenyl-4-pentyn-1-amine and 6-phenyl-5-hexyn-1-amine. The catalysts prepared here show rates comparable to, or greater than, those found for homogeneous late transition metal complexes, including their molecular precursors. Furthermore, the supported catalysts are only slightly air-sensitive and can be recycled, after filtration in air, with only moderate loss of activity.
HDL mediates reverse cholesterol transport from mesangial cells via map kinase (2004)

Reverse transport of cholesterol from peripheral tissue to the liver is one of the mechanisms by which HDL provides cardioprotective action. We provide evidence that HDL plays a major role in cholesterol efflux from lipid loaded mesangial foam cells, which function to facilitate reverse cholesterol transport and alleviate experimental glomerulosclerosis. In this study, we explored the role of HDL not only as a cholesterol acceptor, but also in its cell signaling role, which affects the ratio of cholesterol influx/efflux. To determine the effects of HDL-mediated signaling on influx pathways, the expression of scavenger receptor CD36 in response to HDL-mediated activation of MAP kinase was monitored by Western Blot Analysis. HDL-mediated cholesterol efflux from [3H]-cholesterol labeled and acetylated LDL loaded mesangial cells were also examined. The effect of the HDL and MAP kinase inhibitor, 20μM PD98059 (PD) on cytoplasmic lipid droplet mobilization was monitored to evaluate the role of HDL-mediated signaling on cellular cholesterol efflux. Addition of HDL (2μg/ml-1 mg/ml) dose dependently increased the efflux of cholesterol from messangial cells. Cholesterol efflux in the presence of 100 μg/ml HDL was measured at 4, 8 and 24 hours (16±1.03%, 28±2% and 61±3% respectively, p<0.05). PD (20μM) blocked HDL mediated efflux. This suggests HDL promotes cholesterol efflux via MAP Kinase. Addition of HDL to mesangial cells causes increased ERK phosphorylation (p<0.01) which was blocked by 20μM PD. HDL (50 and 100 μg/ml) increased phosphorylation of PPARγ by 18± 1.5% and 30± 8.5% respectively and MAPK inhibitor PD(20μM) inhibited phosphorylation. Furthermore, phosphorylation of PPARγ decreases transcription of PPAR target genes such as CD36. It has been demonstrated that the scavenger receptor CD 36 is responsible for LDL uptake. HDL down-regulated CD36 expression and this effect was blocked by PD. This implies that HDL increases efflux via ERK and erodes cholesterol influx pathways directly by decreasing CD36 expression and indirectly by down regulating PPARγ and thereby decreasing transcription of CD36. Our data demonstrates HDL increases cholesterol efflux from mesangial cells, mobilizes intracellular lipid via MAP kinase and functions as a critical signaling molecule, which may have important implications for targeting HDL-concentrations for treatment in conditions characterized by glomeruloscerosis and/or left ventricular hypertrophy. Am J Hypertens (2004) 17, 91A–91A; doi: 10.1016/j.amjhyper.2004.03.233
Lasing and quantum optics in nanostructured dielectrics (2005)

In recent years there has been a significant evolution in the development of high purity growth methods for nanoparticles in the 10 nm size range. Concurrently, new processing methods have led to the emergence of laser quality transparent ceramics prepared from rare-earth-doped nanopowders. Output powers and efficiencies of ceramic lasers have been reported to compare very well with those of crystal laser systems, causing interest both in nanoscale and macro-scale optical ceramics. In this paper, we first describe highly scattering oxide powders that generate continuous-wave random laser action, are able to store light, exhibit quantum size effects, and sinter to transparency at exceptionally low temperatures. Quantum size effects and modified dopant interactions in transparent ceramics processed from these powders are then considered, and their potential relevance to problems in laser cooling and the engineering of nanostructured ceramics for solid state lasers and nonlinear optics are evaluated.
Aristolochic Acids Induce Chronic Renal Failure with Interstitial Fibrosis in Salt-Depleted Rats (2002)

Chinese-herb nephropathy (CHN) is a rapidly progressive renal fibrosis associated with the intake of a Chinese herb (Aristolochia fangchi) containing nephrotoxic and carcinogenic aristolochic acids (AA). This study attempted to reproduce the main features of human CHN (renal failure, tubular atrophy, and interstitial fibrosis) in a rat model similar to that of cyclosporin-induced nephropathy. Salt-depleted male Wistar rats received daily subcutaneous injections of either 1 mg/kg body wt AA (low-dose AA group), 10 mg/kg body wt AA (high-dose AA group), or vehicle (control group) for 35 d. On days 10 and 35, assessment of renal function, measurements of urinary excretion of glucose, protein, and leucine aminopeptidase, and histologic analyses were performed (six rats euthanized/group). High-dose AA induced glucosuria, proteinuria, and elevated serum creatinine levels and reduced leucine aminopeptidase enzymuria on days 10 and 35, whereas low-dose AA had no significant effect. Tubular necrosis associated with lymphocytic infiltrates (day 10) and tubular atrophy surrounded by interstitial fibrosis (day 35) were the histologic findings for the high-dose AA-treated rats. In both AA groups, urothelial dysplasia was also observed, as well as fibrohistiocytic sarcoma at the injection site. A short-term model of AA-induced renal fibrosis was established in salt-depleted Wistar rats. These results support the role of AA in human CHN and provide a useful model for examination of the pathophysiologic pathways of renal fibrosis.
Study of the Electronic Structure of Thiazole Ring by the Molecular Orbital Method (1974)

The empirical molecular orbital (L. C. A. 0. -M. 0.) method of theoretical quantum chemistry is used to be the calculation of the energy levels and the electron distribution in thiazole and a number of its derivatives. The specific value of carbon (position 2) atom of thiazolium ring takes interesting facts. The results have been used for the interpretation of the mechanism of thiaminecatalyzed reactions.
Van-der Waals thin-film C<inf>60</inf> MEMS (2009)

We report on the first-ever pristine C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> (fullerene) surface micromachined structures fabricated using an all-dry etch process. These structures are used to measure the C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> thin film MEMS electromechanical properties. These properties indicate that C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> is promising for realizing useful boundary conditions for MEMS resonators, and stiction properties for MEMS and NEMS switch applications. The clamped-clamped and clamped-free beams are fabricated with XeF <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> silicon-etch process, with negligible damage to the fullerene films ensuring that predictable C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> material properties can be realized in MEMS. Under substrate-attached-PZT excitation, the resonance responses of the cantilevers and beams are measured with a laser interferometer. The elastic properties of the C <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">60</sub> film are thus obtained from the measured resonance frequencies.
Stereospecific cis radical addition. Convincing evidence for a 1,3-radical transfer reaction (1980)

The addition of ethyl NN-dichlorocarbamate or NN-dichlorophosphoramidates to five-membered cyclic alkenes at 0 °C is stereospecific and cis; these results are conveniently explained by a 1,3-atom shift mechanism.
On the analytical prediction of the force production capability of a quasi-Halbach PM excited T-LSM (2016)

The paper is devoted to an analytical prediction of the force production capability of a quasi-Halbach PM excited tubular-linear synchronous machine (T-LSM). To start with, the air gap flux density is derived considering both PMs excitation and armature magnetic reaction. The no-load operation is then characterized with the prediction of the back-EMFs and the cogging force. The obtained results are validated by 2D finite element analysis (FEA). Accounting for the armature magnetic reaction, the analytical model makes it possible the prediction of the developed force with emphasis on its synchronizing and reluctant components. The study is extended to an investigation of the effects of two major design ratios: (i) the radially-magnetized PM width to the pole pitch ratio, and (ii) the stator slot opening to the stator tooth shoes opening ratio, on the developed force mean value and ripple. This enables the selection of an optimized T-LSM design for which an investigation of the force-displacement characteristics is carried out for different values of the maximum current density. The analyticallypredicted characteristics are validated by 2D FEA.
Defective glucocorticoid hormone receptor signaling leads to increased stress and anxiety in a mouse model of Angelman syndrome (2012)

Angelman syndrome (AS) is a neurodevelopmental disorder caused due to deletions or loss-of-function mutations in maternally inherited UBE3A. Ube3a functions as an ubiquitin ligase as well as a transcriptional coactivator of steroid hormone receptors. However, the mechanisms by which maternal Ube3a deficiency gives rise to phenotypic features of AS are not clear. We report here that Ube3a regulates glucocorticoid receptor (GR) transactivation and GR signaling pathway is disrupted in Ube3a-maternal-deficient mice brain. The expression of several GR-dependent genes is down-regulated in multiple brain regions of Ube3a-maternal-deficient mice. AS mice show significantly higher level of blood corticosterone, selective loss of GR and reduced number of parvalbumin-positive inhibitory interneurons in their hippocampus that could ultimately lead to increased stress. These mice also exhibit increased anxiety-like behavior, which could be due to chronic stress. Altogether, our findings suggest that chronic stress due to altered GR signaling might lead to anxiety-like behavior in a mouse of model of AS.
Nanocomposite Fiber Based Web and Membrane Formation and Characterization (2007)

Electrospinning is used to produce polyvinyl alcohol (PVA) fibers. Electrospun nano and micro sized fibers are collected on nonwoven fabrics to form a web and membranes. Optimization is carried out by considering some of the parameters, such as voltage, spinning time, polymer solution, distance between the collector and the needle. Beading effect, effect of solution viscosity, and voltage are investigated. Mechanical and thermal properties are measured by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Surface tension properties are examined. Glass transition and melting temperature are increased with the addition of nanoclay to PVA. Nanoclay also increases the barrier properties and thermal stability of PVA fibers. Yarn samples are produced by twisting nano-micro fibers. Tensile strength of the yarn samples is measured.
Gonadotropin-Suppressing Activity of Human Recombinant Inhibin in the Male Rat is Age Dependent1 (1994)

We have examined the age-dependent effects of human recombinant inhibin A (hrI) on gonadotropin levels in intact male rats. A single s.c. injection of hrI in the dose range 6.25-100 ng/g BW resulted in a significant and consistent decrease (20-40%) in serum FSH measured 6 h later, at the higher (50 and 100 ng/g) doses, in animals 25-91 days of age. Administration of the same doses in animals < or = 20 days old had no significant effect on serum FSH levels. Similarly, no effect of hrI (100 ng/g) on serum FSH levels was observed in 15-day-old rats when FSH levels were monitored from 1 to 8 h. No effect of hrI was observed on serum LH levels except in 40-day-old rats, which exhibited a consistent and significant reduction at the higher (25-100 ng/g) doses of inhibin. Serum inhibin levels 6 h after the injection were not significantly altered at any dose in young animals (< or = 30 days); however, in older animals (40, 50, and 91 days) there was a significant elevation in circulating inhibin levels at the higher doses, strongly suggesting an age-related change in clearance. Testicular inhibin levels were not affected by administration of the exogenous material except at the highest dose (100 ng/g) in the oldest animals (91 days), when an approximately 30% reduction in both the concentration and the total content of inhibin was observed. The data clearly demonstrate that the effect of hrI on serum gonadotropins is age dependent and that changes in clearance may contribute to the period during which circulating inhibin levels are elevated postinjection.
The Recording And Large Scale Replication Of Crossed Holographic Grating Arrays Using Multiple Beam Interferometry (1984)

In the photographic industry, two dimensional periodic arrays, or hole patterns, that have a periodicity on the order of one to several micrometers, can have many significant applications. One use of such an array is the regular positioning of photosensitive elements, including, for example, photographic emulsion grains, into film systems of exceptionally low noise. A method is described for producing the array patterns using the technique of multiple beam interferometry applied to the already well known techniques of holographic grating formation. In the first process a square hole pattern is formed using two sequential two beam interference exposures in a thick layer of positive photoresist. Upon development an array of hills and valleys is formed, with the valleys corresponding to the holes and occupying about half of the available surface area. In the second process a hexagonal close packed hole pattern (honeycomb array) is formed using a single simultaneous three-beam coherent exposure of the photoresist. In the third process a square close packed hole pattern (egg-crate array) is formed using a single simultaneous four-beam exposure. The second and third processes produce surface depressions in the photoresist layer that occupy practically all of the available surface area. Because the periodic arrays are required in large quantities, the patterns formed in photoresist must be replicated. A nickel master is made from the original photoresist by electroplating, and this master is then used to repeatedly emboss the pattern into long plastic sheets. A description is given of the special industrial requirements for making high quality embossed patterns in this way on a large scale.
High-silica nanocrystalline Beta zeolites: efficient synthesis and catalytic application (2015)

An efficient synthesis methodology to obtain homogeneous nanosized high-silica Beta zeolites (∼10-20 nm) with high solid yields (above 95%) using simple alkyl-substituted flexible dicationic OSDAs is described. These dicationic OSDAs allow the synthesis of nanosized Beta zeolites with different Si/Al ratios (15-30) in alkaline and fluoride media, resulting in nanocrystalline materials with different physico-chemical properties. These nanosized Beta zeolites show better catalytic behavior towards the industrially-relevant alkylation of benzene with propylene to obtain cumene compared with other commercially available nanosized Beta zeolites.
Transcriptional Regulation of the Yeast DnaJ Homologue SIS1 (1996)

The Saccharomyces cerevisiae SIS1 gene encodes an essential heat shock protein with similarity to the Escherichia coli DnaJ protein. In sis 1-85 and sis1-86 mutants, the sis1 RNA is induced to high levels at room temperature and without heat shock. The presence of wild type SIS1 in the sis1-85 mutant represses the overexpression of SIS1-85 protein. Furthermore, overexpression of wild type SIS1 reduces the beta-galactosidase activity expressed from a SIS1:lacZ fusion. These results suggest that SIS1 negatively regulates its own expression. The autoregulation of SIS1 transcription is mediated through a 39-base pair cis-element containing the SIS1 heat shock element plus additional flanking sequences on one side. Although SIS1 transcription is constitutive, it is transiently induced upon heat shock. In addition, SIS1 transcription is regulated by SSA (a class of HSP70 proteins) function. The elevated transcription of SIS1 in ssa1 ssa2 mutants is mediated solely through the SIS1 heat shock element. Therefore, the SIS1 autoregulatory element is different from the SSA-responsive element, suggesting that the mechanism involved in autoregulation of SIS1 is distinct from regulation of SIS1 by SSA proteins.
The observation and clinical significance of the long-term anticoagulation status in patients after mechanical heart valve replacement. (2009)

Objective To investigate the long-term anticoagulation starus and relation of INR and complica-tion,best anticoagulation range and clinical significance in patients after mechanical heart valve replacement. Meth-ods The data of blood clotting test series(containing PT,PT% ,PTR,INR,Fbg,APTT) for patients after 6 months of mechanical heart valve replacement were collected, then the cases were divided into 4 groups according to their INR levels( group Ⅰ : INR 2.5 ). Results Group Ⅰ contained 28 person-times, with their dosage of warfarin for (3.61 ± 1.44 ) mg, INR 1.38 ± 0. 12, core-bral embolism occurred for 4 person-times,with a inception rate of 14%. Group Ⅱ contained 92 person-times,with their dosage of warfarin for (3.5±1.37)mg,INR 1.65±0. 14,hemorrhinia occurred for 2 person-times,with a in-ception rate of 2%. Group Ⅲ contained 80 person-times, with their dosage of warfarin for (3.18±1.63 )mg, INR 2.23±0.19 ,bematuria occurred for 2 person-times, bemorrhinia occurred for 2 person-times, with a total inception rate of 5% ; Group Ⅳ contained 16 person-times, with their dosage of warfarin for ( 2.32 ± 1. 23 ) mg, INR 2.80± 0.19, hemorrhinia occurred for 2 person-times and hemoptysis occurred for 1 person-times, with a total inception rate of 18.7%. The person-times in group Ⅱ and Ⅲ accounted for 79.6% and the complication rate was the lowest when INR was between 1.5-2.5. Conclusions INR levels between 1.5-2.5 is the most secure, which is the best antico-agu]ation range in our region. Since the anticoagulation strength dynamically changes, the long-term anticoagulation status in patients after mechanical heart valve replacement should be deeply concerned.

Key words: 
Heart valve replacement;  Anticoagulation therapy;  Complications
The application of reaction engineering to biocatalysis (2016)

Biocatalysis is a growing area of synthetic and process chemistry with the ability to deliver not only improved processes for the synthesis of existing compounds, but also new routes to new compounds.
PET imaging of tumours with a64Cu labeled macrobicyclic cage amine ligand tethered to Tyr3-octreotate (2013)

The use of copper radioisotopes in cancer diagnosis and radionuclide therapy is possible using chelators that are capable of binding Cu(II) with sufficient stability in vivo to provide high tumour-to-background contrast. Here we report the design and synthesis of a new bifunctional chelator, 5-(8-methyl-3,6,10,13,16,19-hexaaza-bicyclo[6.6.6]icosan-1-ylamino)-5-oxopentanoic acid (MeCOSar), that forms copper complexes of exceptional stability by virtue of a cage amine (sarcophagine) ligand and a new conjugate referred to as SarTATE, obtained by the conjugation of MeCOSar to the tumour-targeting peptide Tyr(3)-octreotate. Radiolabeling of SarTATE with (64)Cu(II), a radioisotope suitable for positron emission tomography (PET), was fast (~20 min), easily performed at room temperature and consistently resulted in high radiochemical purity (>99%). In vitro and in vivo evaluation of (64)CuSarTATE demonstrated its high selectivity for tumour cells expressing somatostatin receptor 2 (sstr2). Biodistribution and PET imaging comparisons were made between (64)CuSarTATE and (64)Cu-labeled DOTA-Tyr(3)-octreotate ((64)CuDOTATATE). Both radiopharmaceuticals showed excellent uptake in sstr2-positive tumours at 2 h post-injection. While tumour uptake of (64)CuDOTATATE decreased significantly at 24 h, (64)CuSarTATE activity was retained, improving contrast at later time points. (64)CuSarTATE accumulated less than (64)CuDOTATATE in the non-target organs, liver and lungs. The uptake of (64)CuSarTATE in the kidneys was high at 2 h but showed significant clearance by 24 h. The new chemistry and pre-clinical evaluation presented here demonstrates that MeCOSar is a promising bifunctional chelator for Tyr(3)-octreotate that could be applied to a combined imaging and therapeutic regimen using a combination of (64)Cu- and (67)CuSarTATE complexes, owing to improved tumour-to-non-target organ ratios compared to (64)CuDOTATATE at longer time points.
Microwave Irradiated Immobilized Lipase Catalyzed Synthesis of Alkyl Benzoate Esters by Transesterification: Mechanism and Kinetic Modeling (2014)

Alkyl benzoate esters have gained importance due to their application in a variety of industries such as flavor, cosmetics, and pharmaceuticals. Effect of microwave irradiation in the enzymatic transesterification of methyl benzoate with different alcohols, viz., n-butanol, n-pentanol, n-hexanol, n-octanol, benzyl alcohol, isoamyl alcohol, and 2-ethyl-1-hexanol, was investigated. Synthesis of n-hexyl benzoate was chosen as the model reaction. Different enzymes such as Novozym 435, Lipozyme TL IM, Lipozyme RM IM, and Lipase AYS Amano were screened under microwave irradiation. Novozym 435 was the most active catalyst. To establish the kinetics and mechanism for Novozym 435 catalyzed transesterification of methyl benzoate with n-hexanol, the effects of various parameters affecting the conversion and rate of reaction were studied. Under microwave synergism, an increase in initial rates up to 6.5-fold was observed. Twenty millimoles of methyl benzoate and 10 mmol of n-hexanol in n-heptane with immobilized Candida antarctica lipase B, i.e., Novozym 435, as biocatalyst showed an optimal conversion of 97% at 60 °C in 6 h. Based on initial rate and progress curve data, the reaction was found to follow the ternary complex ordered bi–bi mechanism with inhibition by n-hexanol.