gebhart/patrepeval huggingface dataset:
Perturbations to the Active Site of Phosphotriesterase (1997)

Phosphotriesterase catalyzes the hydrolysis of organophosphate nerve agents. Four amino acid residues, located within the active site pocket, were mutated in an effort to ascertain the roles that these groups play in the structure and function of this enzyme. Tryptophan-131 is located at the entrance to the binuclear metal center, and the indole ring is positioned to suggest that it could provide a hydrophobic site for interaction of the aromatic leaving group with optimized substrates. The W131F mutant displays catalytic constants for the hydrolysis of paraoxon that are essentially the same as those of the wild type enzyme. However, the Km value for the W131A mutant is elevated by a factor of 6, consistent with a role for this residue in substrate binding. Aspartate-253 is hydrogen bonded to His-230 which, in turn, is directly ligated to the more solvent-exposed metal ion. The D253N mutant possesses catalytic constants that are virtually the same as those of the wild type enzyme, while the D253A mutant is reduced in activity by 500-fold. These results are consistent with a model where this residue is required to orientate the imidazole side chain of His-230 for proper interaction with the binuclear metal center. Aspartate-301 is a primary ligand to the more buried metal ion. Mutation of this residue to histidine, asparagine, alanine, and cysteine reduces the catalytic activity by factors of 2.6 x 10(4), 2.7 x 10(3), 5.6 x 10(2), and 1.5 x 10(2), respectively. These results indicate that alterations to the direct metal ligands, even with residues that can strongly coordinate divalent cations, cause a severe disruption to the proper functioning of the active site. In the wild type enzyme, the side chain of Lys-169 is carbamylated and also acts as a bridge between the two divalent cations. Significant losses in catalytic activity are obtained upon mutation of this residue to either alanine, glutamate, arginine, or methionine. The loss in activity can partially be restored upon inclusion in the assay mixture of short-chain carboxylic acids. A 25-fold enhancement in k(cat) is observed for the K169A mutant in the presence of 100 mM propionic acid.
Anti-inflammatory and antiobesity effects of mulberry leaf and fruit extract on high fat diet-induced obesity (2013)

The purpose of this study was to investigate the anti-inflammatory and antiobesity effect of combinational mulberry leaf extract (MLE) and mulberry fruit extract (MFE) in a high-fat (HF) diet-induced obese mice. Mice were fed a control diet or a HF diet for nine weeks. After obesity was induced, the mice were administered with single MLE at low dose (133 mg/kg/day, LMLE) and high dose (333 mg/kg/day, HMLE) or combinational MLE and MFE (MLFE) at low dose (133 mg MLE and 67 mg MFE/kg/day, LMLFE) and high dose (333 mg MLE and 167 mg MFE/kg/day, HMLFE) by stomach gavage for 12 weeks. The mulberry leaf and fruit extract treatment for 12 weeks did not show liver toxicity. The single MLE and combinational MLFE treatments significantly decreased plasma triglyceride, liver lipid peroxidation levels and adipocyte size and improved hepatic steatosis as compared with the HF group. The combinational MLFE treatment significantly decreased body weight gain, fasting plasma glucose and insulin, and homeostasis model assessment of insulin resistance. HMLFE treatment significantly improved glucose control during intraperitoneal glucose tolerance test compared with the HF group. Moreover, HMLFE treatment reduced protein levels of oxidative stress markers (manganese superoxide dismutase) and inflammatory markers (monocyte chemoattractant protein-1, inducible nitric oxide synthase, C-reactive protein, tumour necrosis factor-α and interleukin-1) in liver and adipose tissue. Taken together, combinational MLFE treatment has potential antiobesity and antidiabetic effects through modulation of obesity-induced inflammation and oxidative stress in HF diet-induced obesity.
Figure S1 from ALK Inhibitor Response in Melanomas Expressing <i>EML4-ALK</i> Fusions and Alternate <i>ALK</i> Isoforms (2023)

&lt;p&gt;ALK qRT-PCR screen in melanoma PDX models&lt;/p&gt;
Dietary fat effects on hepatic lipid peroxidation and enzymes of H2O2 metabolism and NADPH Generation (1993)

The purpose of this study was to determine the effects of dietary fat quantity and fatty acid composition on hepatic H2O2-metabolizing systems, activities of NADPH-generating enzymes and lipid peroxidation. One-month-old male C57BL/6J mice were fed one of six diets: (i) 5% fat, rich in 18:2n-6 fatty acid (5% N-6); (ii) 20% fat, rich in 18:3n-3 (N-3); (iii) 20% fat, rich in 18:2n-6 (N-6); (iv) 20% fat, rich in 18:1n-9 (N-9); (v) 20% fat, rich in saturated fatty acids (SAT); and (vi) 20% fat, deficient in essential fatty acids (EFAD); for 11 wk. Comparisons between animal groups receiving different fat quantities showed that activities of glucose-6-phosphate dehydrogenase (G6PDH, EC 1.1.1.49) and malic enzyme (ME, EC 1.1.1.40) and the levels of conjugated dienes were significantly lower in the N-6 than in 5% N-6 group. Conversely, activities of catalase (CAT, EC 1.11.1.6) and selenium-glutathione peroxidase (SeGSHPx, EC 1.11.1.9) were higher in the N-6 than in 5% N-6 group. Among the five dietary groups receiving 20% fat but differing in fatty acid composition, CAT activity was lower in the N-9 group, SeGSHPx activity was lower in the EFAD group, and glutathione reductase (GSSGR, EC 1.6.4.2) activity was higher in the N-6 than in the N-3, N-9, SAT and EFAD group. The EFAD group had much higher levels of total lipids and conjugated dienes, as well as activities of NADPH-generating enzymes, including G6PDH, ME and isocitrate dehydrogenase (EC 1.1.1.42), than the other four high-fat groups.(ABSTRACT TRUNCATED AT 250 WORDS)
Surflex (2008)

In this paper we describe Surflex, a programmable surface for the design and visualization of physical forms. Surflex combines the physical properties of shape-memory alloy and foam to create a surface that can be electronically controlled to deform and gain new shapes. We describe implementation details, the possibilities enabled by the use of smart materials and soft mechanics in human computer interaction, as well as future applications for this technology.
SHALLOW WATER MODEL FOR ALUMINIUM ELECTROLYSIS CELLS WITH VARIABLE TOP AND BOTTOM (2008)

The MHD wave instability in commercial cells for electrolytic
aluminium production is often described using ‘shallow water’
models. The model [1] is extended for a variable height cathode bottom and anode top to account for realistic cell features. The variable depth of the two fluid layers affects the horizontal current density, the wave development and the stability threshold. Instructive examples for the 500 kA cell are presented.
Forecasting of Solar Energy Generation via Dynamic Model Ensemble (2022)

Solar energy is one of the primary renewable energy sources. The usage of solar energy generation can help reduce carbon emissions and thus help address the challenge of global climate change. In the power system, we would like to maintain the balance between power generation and power usage. How-ever, solar energy generation is quite intermittent and will be affected by many uncontrollable factors, such as temperature, cloud cover, and humidity levels. Hence, the accurate forecasting of solar energy generation is of significant importance for the secure operation of power grids. Different types of methods have been developed for solar power generation forecasting, including statistical methods and machine learning methods. In this work, we propose a hybrid dynamic ensemble framework for solar energy generation forecasting. Specifically, a set of base forecasting learners will be first learned. Then, a set of weights will be dynamically updated for the base learners based on the expectation of the contributions of the base learners. Extensive experiment results on the real-world dataset have been implemented and demonstrated the effectiveness and robustness of our proposed method. The proposed forecasting method consistently outperforms all single-model baselines and the static ensemble model.
Displaying Sensed Tactile Cues with a Fingertip Haptic Device (2015)

Telerobotic systems enable humans to explore and manipulate remote environments for applications such as surgery and disaster response, but few such systems provide the operator with cutaneous feedback. This article presents a novel approach to remote cutaneous interaction; our method is compatible with any fingertip tactile sensor and any mechanical tactile display device, and it does not require a position/force or skin deformation model. Instead, it directly maps the sensed stimuli to the best possible input commands for the device's motors using a data set recorded with the tactile sensor inside the device. As a proof of concept, we considered a haptic system composed of a BioTac tactile sensor, in charge of measuring contact deformations, and a custom 3-DoF cutaneous device with a flat contact platform, in charge of applying deformations to the user's fingertip. To validate the proposed approach and discover its inherent tradeoffs, we carried out two remote tactile interaction experiments. The first one evaluated the error between the tactile sensations registered by the BioTac in a remote environment and the sensations created by the cutaneous device for six representative tactile interactions and 27 variations of the display algorithm. The normalized average errors in the best condition were 3.0 percent of the BioTac's full 12-bit scale. The second experiment evaluated human subjects' experiences for the same six remote interactions and eight algorithm variations. The average subjective rating for the best algorithm variation was 8.2 out of 10, where 10 is best.
Manipulating cellular transport and immune responses: dynamic interactions between intracellular Salmonella enterica and its host cells (2006)

Intracellular survival and replication within eukaryotic host cells is of central importance for the pathogenesis of infections caused by Salmonella enterica. Intracellular Salmonella translocates a set of effector proteins by means of a type III secretion system (T3SS) encoded by Salmonella pathogenicity island 2 (SPI2) that manipulates normal host-cell functions. Intracellular survival and replication is linked to the function of the SPI2-T3SS, but recent observations show that many additional cellular functions are targeted by this virulence system. In this review, we focus on the recent observations on the interference of intracellular Salmonella with functions of the innate and adaptive immune system and the modification of endocytic and exocytic cellular transport. The common molecular basis of the different SPI2-dependent phenotypes could be the interference with cellular transport along microtubules.
Liaisons dangereuses: cross-border gene flow and dispersal of insecticide resistance-associated genes in the mosquito Aedes aegypti from Brazil and French Guiana (2019)

The present study highlights the need for regional-local vector surveillance and transnational collaboration between neighboring countries to assess the impact of implemented vector control strategies, promote timely actions and develop preparedness plans.
Application of trilobal capillary-channeled polymer (C-CP) fibers for reversed phase liquid chromatography and ESI-MS for the determination of proteins in different biological matrices (2019)

Protein mixtures in biological matrices can be directly analyzed by RP-LC on trilobal C-CP fiber columns coupled with ESI-MS.
Evaluation of USARIEM Heat Strain Model: MOPP Level, Exercise Intensity in Desert and Tropic Climates. (1996)

Abstract : USARIEM has developed a series of models which predict physiologic strain (body temperature, heart rate sweating rate) and tolerance time to heat strain under a variety of conditions. These heat strain models have been incorporated into the P2NBC2 decision aid, JANUS, MERCURY and other military modeling efforts. The present study was conducted to fill-in information gaps for the database and provide validation of current algorithms. Specifically, this study reports physiologic information on the effects of: (1) light, moderate and hard exercise intensities; (2) MOPP 1 and MOPP 4; (3) desert (43 deg C (109 deg F), 20% rh) and tropic (35 deg C (95 deg F), 50% rh) climates. The physiologic information from these conditions were compared to values predicted by the ARIEM, HSDA and ARIEM-EXP (experimental) models. These experiments demonstrated: (1) harder work levels resulted in greater heat strain, which was more pronounced in MOPP 4 than in MOPP 1; (2) the energy cost of exercise and the heat strain was greater in MOPP 4 than MOPP 1 for the same task; (3) physiologic strain and tolerance times were similar during exercise in the two climates with matched WBGT temperatures; (4) the ARIEM and HSDA models were inaccurate in predicting the experimental core temperature responses, conservatively predicting core temperature responses, and over predicting tolerance time; (5) the ARIEM-EXP model accurately predicted core temperature responses, especially at moderate and hard exercise intensities, but it also over predicted tolerance time. These data indicate that the experimental model should replace the ARIEM and HSDA models to predict soldier responses in hot climates.
Data mining and fault diagnosis based on wafer acceptance test data and in-line manufacturing data (2002)

This paper focuses on techniques for automatically extracting process knowledge from a production database for fault diagnosis and optimizing device performance with a fixed target. An integrated parametric analysis scheme is developed with supplemented graphical methods to facilitate interpretation of the results. It consists of five phases: device variation partition, key node screening, linear equipment modeling, graph aided interpretation, and control policy re-evaluation. The concepts of quality control, data mining, and process knowledge are integrated in this scheme. A field data case study shows that the integrated parametric analysis scheme is able to diagnose the parametric yield problem, help engineers construct the knowledge base, predict the yield, and provide insight for yield enhancement.
Supplementary Figure Legends from Phase I Safety, Pharmacokinetic and Pharmacodynamic Evaluation of the Vascular Disrupting Agent Ombrabulin (AVE8062) in Patients with Advanced Solid Tumors (2023)

&lt;p&gt;Supplementary Figure Legends - PDF file 62K, Supplementary Figure legends&lt;/p&gt;
X-ray Structures of the Leucine-binding Protein Illustrate Conformational Changes and the Basis of Ligand Specificity (2004)

The periplasmic leucine-binding protein is the primary receptor for the leucine transport system in Escherichia coli. We report here the structure of an open ligand-free form solved by molecular replacement and refined at 1.5-A resolution. In addition, two closed ligand-bound structures of the same protein are presented, a phenylalanine-bound form at 1.8 A and a leucine-bound structure at a nominal resolution of 2.4 A. These structures show the basis of this protein's ligand specificity, as well as illustrating the conformational changes that are associated with ligand binding. Comparison with earlier structures provides further information about solution conformations, as well as the different specificity of the closely related leucine/isoleucine/valine-binding protein.
Finite–element method analysis of microwave and optical waveguides—trends in countermeasures to spurious solutions (1987)

Abstract This paper presents a review of finite‐element methods for the analysis of microwave and optical waveguides, particularly focusing on the recent results for suppressing or eliminating techniques of the spurious solutions that have become a subject of discussion to date. The finite‐element method analysis of electromagnetic waveguides can be divided into four classes: (1) scalar wave analysis by the one‐dimensional finite‐element method; (2) vectorial wave analysis by the one‐dimensional finite‐element method; (3) scalar wave analysis by the two‐dimensional finite‐element method; and (4) vectorial wave analysis by the two‐dimensional finite‐element method. Spurious solutions appear in (4), and, depending on the variational expression used, they also appear in (2). Placing emphasis on (2) and (4), particularly on (4), various finite‐element formulations are presented such as axial fields of E and H, full vector H field, full vector E field, transverse fields of E and H, and transverse fields of E or H formulations, and various approaches capable of suppressing or eliminating the spurious solutions are reviewed in detail.
Do Normal Radiographs Exclude Asphericity of the Femoral Head-Neck Junction? (2008)

Asphericity of the femoral head-neck junction is one cause for femoroacetabular impingement of the hip. However, the asphericity often is underestimated on conventional radiographs. This study compares the presence of asphericity on conventional radiographs with its appearance on radial slices of magnetic resonance arthrography (MRA). We retrospectively reviewed 58 selected hips in 148 patients who underwent a surgical dislocation of the hip. To assess the circumference of the proximal femur, alpha angle and height of asphericity were measured in 14 positions using radial slices of MRA. The hips were assigned to one of four groups depending on the appearance of the head-neck junction on anteroposterior pelvic and lateral crosstable radiographs. Group I (n = 19) was circular on both planes, Group II (n = 19) was aspheric on the crosstable view, Group III (n = 4) was aspheric on the anteroposterior view, and Group IV (n = 13) was aspheric on both views. In all four groups, the highest alpha angle was found in the anterosuperior area of the head-neck junction. Even when conventional radiographs appeared normal, an increased alpha angle was present anterosuperiorly. Without the use of radial slices in MRA, the asphericity would be underestimated in these patients.
Predicting survival in women with breast cancer and brain metastasis (2011)

The nomogram described here outperformed current strategies for survival prediction in breast cancer patients with BMs. Two additional advantages of this nomogram are its ability to predict individualized, 1-, 3-, and 5-year survival for novel patients and its straightforward representations of the relative effects of each of 9 covariates on neurologic survival. This represents a potentially valuable alternative to current models of survival prediction in this patient population.
Preliminary Assessment of Plug-in Hybrid Electric Vehicles on Wind Energy Markets (2006)

This report examines a measure that may potentially reduce oil use and also more than proportionately reduce carbon emissions from vehicles. The authors present a very preliminary analysis of plug-in hybrid electric vehicles (PHEVs) that can be charged from or discharged to the grid. These vehicles have the potential to reduce gasoline consumption and carbon emissions from vehicles, as well as improve the viability of renewable energy technologies with variable resource availability. This paper is an assessment of the synergisms between plug-in hybrid electric vehicles and wind energy. The authors examine two bounding cases that illuminate this potential synergism.
Demonstration of scaled (⩾0.12 μm2) Pb(Zr,Ti)O3 capacitors on W plugs with Al interconnect (2001)

The measured switched polarization properties of integrated Pb(Zr,Ti)O3 (PZT) capacitors arrays have been found to show a small dependence on individual capacitor size in the range from 0.17 and 100 μm2. These thin (90 nm) PZT capacitors have low voltage switching properties with polarization saturation of &amp;lt;1.8 V with switched polarization for the smallest capacitors (0.17 μm2) still larger than 25 μC/cm2. The capacitor stack consisted of TiAlN hardmask/Ir/IrOx/PZT/Ir/TiAlN on either SiO2 dielectric or W plugs. The capacitor was patterned using 248 nm lithography and etched using only one mask. For wafers without W plugs, the Ir bottom electrode was not etched. For wafers with W plugs, the entire capacitor stack was etched and electrical connection to the bottom electrode was through the W plugs. The capacitors were integrated using SiO2 dielectrics and one level of Al metallization. These data suggest that high-density, ferroelectric capacitor-based memories may be feasible.
To promote electricity smart grid performances by numerical modeling applications (2014)

Wide world’s utilities are generating, transmitting and distributing of electricity throughout the country andare responsible to its quality.Distributed automated distribution system has been proposed for planning to reduce losses, optimize capacityand load balancing in electricity networks. The world electricity average loss is about and outage percustomer time is about min/ year. The indices are needed to optimize in developing countries.This paper deals on a modeled distribution system in Sari distribution region and evaluates three mentionedparameters on network quality. Restoration, maneuvers to achieve the minimum loss, reactive powercontrolling, load balancing etc are investigated.Modeling performs by MATLAB software, EMTP for transient modeling and Digsilent with real data bySari Distribution Company. In this paper, a new approach by rearrangement aimed at reducing losses andimproving of load balancing in distribution networks was presented. Keywords: Modelling, smart grid, electricity network
Efficient Copper-Catalyzed N-Arylation of Sulfoximines with Aryl Iodides and Aryl Bromides (2005)

Two simple and inexpensive systems for copper-catalyed N-arylations of sulfoximines with aryl bromides and aryl iodides have been developed. Using 10 mol % of a copper(I) salt in combination with 20 mol % of a 1,2-diamine and Cs2CO3 provides N-arylated sulfoximines in high yields. Various functional groups and heteroatoms are tolarated. The method is complementary to the known protocols for N-arylations of sulfoximines, which require stoichiometric quantities of copper salts or cost-intensive palladium/BINAP catalysts.
The melt viscosity-molecular weight relationship for linear polymers (1987)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe melt viscosity-molecular weight relationship for linear polymersRalph H. Colby, Lewis J. Fetters, and William W. GraessleyCite this: Macromolecules 1987, 20, 9, 2226–2237Publication Date (Print):September 1, 1987Publication History Published online1 May 2002Published inissue 1 September 1987https://pubs.acs.org/doi/10.1021/ma00175a030https://doi.org/10.1021/ma00175a030research-articleACS PublicationsRequest reuse permissionsArticle Views7240Altmetric-Citations333LEARN 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