gebhart/patrepeval huggingface dataset:
New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution (2002)

The polarizable continuum model (PCM), used for the calculation of molecular energies, structures, and properties in liquid solution has been deeply revised, in order to extend its range of applications and to improve its accuracy. The main changes effect the definition of solute cavities, of solvation charges and of the PCM operator added to the molecular Hamiltonian, as well as the calculation of energy gradients, to be used in geometry optimizations. The procedure can be equally applied to quantum mechanical and to classical calculations; as shown also with a number of numerical tests, this PCM formulation is very efficient and reliable. It can also be applied to very large solutes, since all the bottlenecks have been eliminated to obtain a procedure whose time and memory requirements scale linearly with solute size. The present procedure can be used to compute solvent effects at a number of different levels of theory on almost all the chemical systems which can be studied in vacuo.
Large-Scale Similarity Joins With Guarantees (Invited Talk) (2015)

The ability to handle noisy or imprecise data is becoming increasingly important in computing. In the database community the notion of similarity join has been studied extensively, yet existing solutions have offered weak performance guarantees. Either they are based on deterministic filtering techniques that often, but not always, succeed in reducing computational costs, or they are based on randomized techniques that have improved guarantees on computational cost but come with a probability of not returning the correct result. The aim of this paper is to give an overview of randomized techniques for high-dimensional similarity search, and discuss recent advances towards making these techniques more widely applicable by eliminating probability of error and improving the locality of data access.
Control of VSC connected to the grid through LCL - filter to achieve balanced currents (2005)

Grid-connected voltage source converters (VSCs) are the heart of many applications with power quality concerns due to their reactive power controllability. However, the major drawback is their sensitivity to grid disturbances. Moreover, when VSCs are used in DG applications, voltage unbalance may be intolerant. The current protection may trip due to current unbalance or due to overcurrent. In this paper, a vector current controller for VSC connected to the grid through LCL-filter is developed with the main focus on producing symmetrical and balanced currents in case of unbalanced voltage dips. Implementing this controller helps the VSC system not to trip during voltage dips.
Decision Forests, Convolutional Networks and the Models in-Between (2016)

This paper investigates the connections between two state of the art classifiers: decision forests (DFs, including decision jungles) and convolutional neural networks (CNNs). Decision forests are computationally efficient thanks to their conditional computation property (computation is confined to only a small region of the tree, the nodes along a single branch). CNNs achieve state of the art accuracy, thanks to their representation learning capabilities. We present a systematic analysis of how to fuse conditional computation with representation learning and achieve a continuum of hybrid models with different ratios of accuracy vs. efficiency. We call this new family of hybrid models conditional networks. Conditional networks can be thought of as: i) decision trees augmented with data transformation operators, or ii) CNNs, with block-diagonal sparse weight matrices, and explicit data routing functions. Experimental validation is performed on the common task of image classification on both the CIFAR and Imagenet datasets. Compared to state of the art CNNs, our hybrid models yield the same accuracy with a fraction of the compute cost and much smaller number of parameters.
Role of thymidine phosphorylase activity in the angiogenic effect of platelet derived endothelial cell growth factor/thymidine phosphorylase. (1995)

Human thymidine phosphorylase (dThdPase) has been reported to be identical with the platelet-derived endothelial cell growth factor (PD-ECGF). To investigate whether the dThdPase activity of PD-ECGF/dThdPase is indispensable to its angiogenic activity, three PD-ECGF/dThdPase mutants, K115E (Lys-115-->Glu), L148R (Leu-148-->Arg) and R202S (Arg-202-->Ser) were made by site-directed mutagenesis. Although the expression level of the three mutant PD-ECGF/dThdPases in the COS-7 cells was similar to that of wild-type PD-ECGF/dThdPase, dThdPase activity was not detected in the COS-7 cells transfected with the mutant PD-ECGF/dThdPase cDNA. The lysates of COS-7 cells transfected with the wild-type PD-ECGF/dThdPase cDNA had angiogenic activity, but those transfected with the mutant PD-ECGF/dThdPase cDNAs did not. An inhibitor of dThdPase, 6-amino-5-chlorouracil, inhibited the angiogenic activity of purified dThdPase. These findings indicate that dThdPase activity is indispensable to the angiogenic activity of PD-ECGF/dThdPase.
Glycosaminoglycans in Ewe Reproductive Tracts and Their Influence on Acrosome Reactions in Bovine Spermatozoa in Vitro (1986)

Glycosaminoglycans (GAG) promote acrosome reactions (AR) in bovine and rabbit spermatozoa in vitro. Female bovine reproductive tract secretions contained GAG and the concentrations and composition of those GAG varied with different regions and stages of the estrous cycle. This study was designed to evaluate the types of GAG found in reproductive tract secretions of ewes at different stages of the estrous cycle and the ability of the secretions to promote AR. Ewes (n = 48) were slaughtered at 0, 12, 24, 36, 72 and 144 h following observations of standing estrus. Reproductive tracts were flushed with a modified Tyrode's medium (TALP: 7 ml) not containing calcium. Concentrations and composition of GAG in the tract were determined by high performance liquid chromatography. Concentrations of GAG decreased anterior to the cervix: 2.28 to .74 mg/100 mg protein (P less than .05). Increases in heparin-like GAG during the estrual phase and chondroitin sulfate GAG during the luteal phase were noted. Bovine sperm were incubated in tract flushings standardized to contain 4 micrograms/ml of GAG and supplemented with calcium. Sperm incubated in estrual flushings for 9 h exhibited a higher incidence of AR than those incubated in luteal flushings or control, 50% vs 36% and 29%, respectively (P less than .0001). It is concluded that during the estrous cycle there were changes in concentrations and composition of GAG in ewe reproductive tracts and the potencies of those female secretions causing AR varied.
Effect of pH and Ionic Strength on the Heat Stability of Rapeseed 12S Globulin (Cruciferin) by the ANS Fluorescence Method (1996)

The heat stability of rapeseed 12S globulin (cruciferin) was examined using 8-anilinonaphthalene-1-sulphonic acid (ANS) as a fluorescence probe. Heating cruciferin (0·06–0·3 mg ml−1 in 10 mM glycyl–glycyl piperizine buffer, pH 7·0, with 0·1–1·0 M NaCl) for 20 min increased its hydrophobicity as monitored by ANS fluorescence measurements. The mid-point temperature for the heat effect (Tm) increased linearly with increasing solvent pH (Tm (°C)=4·16 pH+41 (μ=0.1)) or sodium chloride concentration (Tm (°C)=14·7 [NaCl]+71 (pH=7·0)). The range of Tm values for cruciferin was 45–96°C. At 20°C cruciferin was unstable at pH<3·0 but relatively stable under alkaline conditions (pH 8–10). Though possessing an oligomeric structure, cruciferin appears to heat denature in accordance with the two-stage deactivation model for simple globular proteins.
A profile of problem gambling clients in Northern NSW (2005)

This paper analyses the first four and a half years of client data from the Northern Rivers Gambling Service (NRGS), an outpatient gambling counselling and education service operated by The Buttery in the Northern Rivers region of NSW. Because the NRGS provides the vast majority of problem gambling services in the region, these data provide an accurate and comprehensive profile of people presenting for gambling problems in the region. This paper profiles these clients in terms of their sociodemographic characteristics, gambling activity, gambling problems, and treatment details. Compared to the findings of the Productivity Commission’s (1999) Survey of Clients of Counselling Agencies, the NRGS deals with a higher proportion of males, single people, people on government pensions, and clients whose main gambling activity is gaming machines. Clients at the NRGS also appear to have a longer duration of gambling problems when first presenting for treatment.
Role of protein kinase C-δ in the regulation of collagen gene expression in scleroderma fibroblasts (2001)

Working with cultured dermal fibroblasts derived from control individuals and patients with systemic sclerosis (SSc), we have examined the effects of protein kinase C-δ (PKC-δ) on type I collagen biosynthesis and steady-state levels of COL1A1 and COL3A1 mRNAs. Rottlerin, a specific inhibitor of PKC-δ, exerted a powerful, dose-dependent inhibition of type I and type III collagen gene expression in normal and SSc cells. Optimal rottlerin concentrations caused a 70–90% inhibition of type I collagen production, a >80% reduction in COL1A1 mRNA, and a >70% reduction in COL3A1 mRNA in both cell types. In vitro nuclear transcription assays and transient transfections with COL1A1 promoter deletion constructs demonstrated that rottlerin profoundly reduced COL1A1 transcription and that this effect required a 129-bp promoter region encompassing nucleotides –804 to –675. This COL1A1 segment imparted rottlerin sensitivity to a heterologous promoter. Cotransfections of COL1A1 promoter constructs with a dominant-negative PKC-δ expression plasmid showed that suppression of this kinase silenced COL1A1 promoter activity. The results indicate that PKC-δ participates in the upregulation of collagen gene transcription in SSc and suggest that treatment with PKC-δ inhibitors could suppress fibrosis in this disease.
Rhodium(II) Trifluoroacetamide; an Excellent Catalyst for Carbenoid O-H Insertion Reactions (1992)

Rhodium(II) trifluoroacetamide is a superior catalyst to rhodium(II) acetate for inter- and intra-molecular carbenoid O-H insertion reactions.
Maximum output power and maximum operating temperature of quantum well lasers (1997)

An efficient phenomenological model describing the temperature dependence of the output power of multiquantum well (MQW) lasers is presented. The model can predict all the general features of the experimental results. The effect of series resistance, thermal resistance, cavity length, leakage current, and facet reflectivity on the maximum achievable power are analyzed in a systematic manner. The calculated maximum operating temperature (Tm), defined as the heat sink temperature at which the saturated output power vanishes due to heating, is in reasonable agreement with reported experimental results.
Inhibitors of the Purine Salvage Pathway: A Valuable Approach for Antiprotozoal Chemotherapy? (2010)

For many years, the purine salvage pathway of parasitic protozoa has been regarded as an attractive chemotherapeutic target. Parasitic protozoa lack de novo synthesis and rely entirely on the purine salvage pathway to meet their purine demands. Because of the great phylogenetic difference between parasite and host, there are often sufficient distinctions that can be exploited to design specific inhibitors for the parasitic enzymes. As a result, this pathway has been thoroughly investigated over the last twenty years. It is only quite recently that the genome studies of Trypanosoma, Leishmania and Plasmodium have been published. Based on these genomic data however, the existence of by-pass mechanisms by other enzymes and transporter systems could be suggested. Taking into account such proposition, the question might arise as to whether inhibition of a single salvage enzyme will be able or not to cause parasite death or growth arrest. In this paper, the key enzymes in the purine salvage pathways of relevant pathogenic species from the genera Trypanosoma, Leishmania and Plasmodium are reviewed. Their potential as drug targets is critically evaluated and where possible, correlated to literature data on antiparasitic activity of their inhibitors. While many studies over the past ten years have yielded contradictory results, this review attempts to clarify these findings by discussing the latest elements of progress in the field. Additionally, as part of a broader discussion on substrate analogue types of inhibitors, special attention is paid to iminoribitol derivatives, serving as transition state analogues of nucleoside-processing enzymes and comprising the most potent inhibitors reported for purine salvage enzymes. More specifically, the development of three generations of immucillins and a newer series of N-(arylmethyl-) substituted iminoribitol derivatives will be discussed. Finally, this review also covers subversive substrates of salvage enzymes: compounds that are transformed by enzymatic activity into cytotoxic agents. Although not by directly intervening in the process of purine recovery, the subversive substrate approach might deliver antiprotozoal compounds that rely on salvage enzymes for their activity.
A three-switch high-voltage converter (1995)

A novel three-switch HV converter derived from the Cuk converter is presented. This converter can operate into a capacitor-diode voltage multiplier, which offers simpler structure and control, higher efficiency, reduced EMI, size and weight savings than traditional switched-mode regulated voltage multipliers. Two significant advantages are the continuous input current and easy isolation extension. The new converter is experimentally verified. Both the steady state and dynamic theoretical models are correlated well with the experimental data.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">></ETX>
The Inhibition of Mitochondrial Peroxidation by Ubiquinone and Ubiquinol (1966)

Ubiquinol-6 (reduced coenzyme Q6) was more effective than ubiquinone-6 and almost as effective as α-tocopherol in reducing the stable free radical diphenyl-p-picrylhydrazyl. The antioxidant activity of ubiquinol-6 was measured at low oxygen concentrations with an oxygen electrode. Ubiquinol-6 was found to be as efficient as α-tocopherol as an inhibitor of the heme-catalyzed peroxidation of arachidonic acid emulsions. Ubiquinol-6 was oxidized to ubiquinone-6 by free radical products of the heme-catalyzed decomposition of cumene hydroperoxide. α-Tocopherol did not inhibit this reaction. Light was used to catalyze the peroxidation of mitochondrial lipids at low concentrations of oxygen. This peroxidation was inhibited by the addition of ubiquinol-6 or α-tocopherol to the mitochondria. Light-induced mitochondrial peroxidation was inhibited by ubiquinol-6 produced from exogenous ubiquinone-6 by the electron transport-linked oxidation of β-hydroxybutyrate. Ubiquinols may function as antioxidants in the mitochondrion. This could explain why ubiquinones and related compounds have been found effective in the relief of certain vitamin E deficiency syndromes in some species.
SYNTHESIS OF A NEW PHOSPHORUS-FUNCTIONALIZED NITRILE OXIDE, α-(DIETHYLPHOSPHONO)ACETONITRILE OXIDE, AND CYCLOADDITION LEADING TO 3-(DIETHYLPHOSPHONOMETHYL)-Δ2-ISOXAZOLINES (1986)

Abstract Cycloaddition of α-(diethylphosphono)acetonitrile oxide, a new phosphorus-functionalized nitrile oxide, leads to 3-phosphonomethyl-Δ2-isoxazolines which are useful as Δ2-isoxazoline unit-introducing reagents.
Parasitic modeling and noise mitigation in advanced RF/mixed-signal silicon germanium processes (2003)

The potential for highly integrated radio frequency (RF) and mixed-signal (AMS) designs is today very real with the availability cost-effective scaled silicon-germanium (SiGe) process technologies. However, the lack of effective parasitic modeling and noise mitigation significantly restrict opportunities for integration, due to a lack of computer-aided design solutions and practical guidance for designers. This tutorial paper provides a broad in-depth coverage of the key technical areas that designers need to understand in estimating and mitigating IC parasitic effects. A detailed analysis of the parasitic effects in passive devices, the interconnect (including transmission line modeling) and substrate impedance, and isolation estimation is presented-referencing a large number of key publications in these areas.
Quantitative analysis of the oxidative DNA lesion, 2,2-diamino-4-(2-deoxy-β-d-erythro-pentofuranosyl)amino]-5(2H)-oxazolone (oxazolone), in vitro and in vivo by isotope dilution-capillary HPLC-ESI-MS/MS (2006)

A major DNA oxidation product, 2,2-diamino-4-[(2-deoxy-beta-D-erythro-pentofuranosyl)amino]-5(2H)-oxazolone (oxazolone), can be generated either directly by oxidation of dG or as a secondary oxidation product with an intermediate of 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxo-dG). Site-specific mutagenesis studies indicate that oxazolone is a strongly mispairing lesion, inducing approximately 10-fold more mutations than 8-oxo-dG. While 8-oxo-dG undergoes facile further oxidation, oxazolone appears to be a stable final product of guanine oxidation, and, if formed in vivo, can potentially serve as a biomarker of DNA damage induced by oxidative stress. In this study, capillary liquid chromatography-electrospray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) methods were developed to enable quantitative analysis of both 8-oxo-dG and oxazolone in DNA from biological sources. Sensitive and specific detection of 8-oxo-dG and oxazolone in enzymatic DNA hydrolysates was achieved by isotope dilution with the corresponding 15N-labeled internal standards. Both nucleobase adducts were formed in a dose-dependent manner in calf thymus DNA subjected to photooxidation in the presence of riboflavin. While the amounts of oxazolone continued to increase with the duration of irradiation, those of 8-oxo-dG reached a maximum at 20 min, suggesting that 8-oxo-dG is converted to secondary oxidation products. Both lesions were found in rat liver DNA isolated under carefully monitored conditions to minimize artifactual oxidation. Liver DNA of diabetic and control rats maintained on a diet high in animal fat contained 2-6 molecules of oxazolone per 10(7) guanines, while 8-oxo-dG amounts in the same samples were between 3 and 8 adducts per 10(6) guanines. The formation of oxazolone lesions in rat liver DNA, their relative stability in the presence of oxidants and their potent mispairing characteristics suggest that oxazolone may play a role in oxidative stress-mediated mutagenesis.
Characterization of <scp>AQX</scp>‐1125, a small‐molecule <scp>SHIP1</scp> activator (2012)

Consistent with the role of SHIP1 in cell activation and chemotaxis, the SHIP1 activator AQX-1125 inhibits Akt phosphorylation, inflammatory mediator production and leukocyte chemotaxis in vitro. The in vitro effects and the pharmacokinetic properties of the compound make it a suitable candidate for in vivo testing in various models of inflammation.
Nanonet-Based Hematite Heteronanostructures for Efficient Solar Water Splitting (2011)

We report the highest external quantum efficiency measured on hematite (α-Fe(2)O(3)) without intentional doping in a water-splitting environment: 46% at λ = 400 nm. This result was enabled by the introduction of TiSi(2) nanonets, which are highly conductive and have suitably high surface areas. The nanonets serve a dual role as a structural support and an efficient charge collector, allowing for maximum photon-to-charge conversion. Without the addition of any oxygen-evolving catalysts, we obtained photocurrents of 1.6 and 2.7 mA/cm(2) at 1.23 and 1.53 V vs RHE, respectively. These results highlight the importance of charge transport in semiconductor-based water splitting, particularly for materials whose performance is limited by poor charge diffusion. Our design introduces material components to provide a dedicated charge-transport pathway, alleviating the reliance on the materials' intrinsic properties, and therefore has the potential to greatly broaden where and how various existing materials can be used in energy-related applications.
Carbon-dot-based ratiometric fluorescent sensor for detecting hydrogen sulfide in aqueous media and inside live cells (2012)

A FRET ratiometric fluorescent sensor was developed for detecting H(2)S in aqueous media and serum, as well as inside live cells. For this sensor, carbon dots serve as the energy donor and also the anchoring site for the probe. This sensor is highly selective and sensitive with a detection limit of 10 nM which is the lowest among fluorescent H(2)S sensors.
H-Studio: An Authoring Tool for Adding Haptic and Motion Effects to Audiovisual Content (Demonstration) (2013)

Haptic and motion effects have been widely used for virtual reality applications in order to provide a physical feedback from the virtual world. Such feedback was recently studied to improve the user experience in audiovisual entertainment applications. But the creation of haptic and motion effects is a main issue and requires dedicated editing tool. This paper describes a user-friendly authoring tool to create and synchronize such effects with audiovisual content. More precisely we focus on the edition of motion effects. Authoring is simplified thanks to a dedicated graphical user interface, allowing either to import external data or to synthesize effects thanks to a force-feedback device. Another key feature of this editor is the playback function which enables to preview the motion effect. Hence this new tool allows non expert users to create immersive haptic-audiovisual experiences.
WEED SCIENCE Weed Response to 2,4-D, 2,4-DB, and Dicamba Applied Alone or with Glufosinate (2013)

Cotton tolerant of 2,4-D, glufosinate, and glyphosate or dicamba, glufosinate, and glyphosate is in development. This technology will give growers additional tools to manage glyphosateresistant weeds. A field experiment was conducted across six environments in Georgia, North Carolina, and Tennessee to determine the response of 13- to 20-cm weeds to 2,4-D, 2,4-DB, and dicamba applied alone or mixed with glufosinate. Palmer amaranth (Amaranthus palmeri S. Wats) was controlled 59 to 78%, 68 to 80%, and 59 to 83% by 2,4-DB dimethylamine (560-1120 g ae ha -1 ), 2,4-D dimethylamine (530-1060 g a.e. ha -1 ), and dicamba diglycolamine (280-1120 g ae ha -1 ), respectively, and 74% by glufosinate ammonium (430 g ae ha 1 ). Control was improved (89-97%) with all auxin/ glufosinate mixtures when compared to respective herbicides alone. Glufosinate controlled Benghal dayflower (Commelina benghalensis L.) only 68%; 2,4-D at 530 g ha -1 and dicamba at 1120 g ha -1 controlled this weed at least 90%. Combinations of glufosinate and auxin herbicides were beneficial when control by auxin herbicides was 90% or less. Carpetweed (Mollugo verticillata L.) control by auxin herbicides ranged from 50 to 66%; glufosinate alone or in mixtures completely controlled carpetweed. All treatments completely controlled morningglory (Ipomoea spp.). Auxin herbicides had no activity on grasses. Texas millet (Panicum texanum [Buckl.] R. Webster) and broadleaf signalgrass (Brachiaria platyphylla [Nash] R. Webster) were controlled 89 to 90% by glufosinate alone. Both 2,4-D and 2,4-DB mixed with glufosinate reduced Texas millet control, and 2,4-D reduced broadleaf signalgrass control.
Evaluation of substdyoyiyomh gum basai with zein in chewing gum (2002)

通过对比实验以及对实验结果进行统计分析和产品的感官评定,确定玉米醇溶蛋白替代胶基的最佳比例.在对比实验中确定四个水平,即100%、75%、50%、25%替代,并通过对其理化性质分析和感官评定,确定其最佳比例是25%.