gebhart/patrepeval huggingface dataset:
Mapping and Fitting the Peripheral Benzodiazepine Receptor Binding Site by Carboxamide Derivatives. Comparison of Different Approaches to Quantitative Ligand−Receptor Interaction Modeling (2001)

The synthetic-computational approach to the study of the binding site of peripheral benzodiazepine receptor (PBR) ligands related to 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide (PK11195, 1) within their receptor (Cappelli et al. J. Med. Chem. 1997, 40, 2910-2921) has been extended. A series of carboxamide derivatives endowed with differently substituted planar aromatic or heteroaromatic systems was designed with the aim of getting further information on the topological requisites of the carbonyl and aromatic moieties for interaction with the PBR binding site. The synthesis of most of these compounds involves Weinreb amidation of the appropriate lactone as the key step. The most potent compound, among the newly synthesized ones, shows a nanomolar PBR affinity similar to that shown by 1 and the presence of a basic N-ethyl-N-benzylaminomethyl group in 3-position of the quinoline nucleus. Thus, it may be considered the first example of a new class of water soluble derivatives of 1. Several computational methods were used to furnish descriptors of the isolated ligands (indirect approaches) able to rationalize the variation in the binding affinity of the enlarged series of compounds. Sound QSAR models are obtained by size and shape descriptors (volume approach) which codify for the short-range contributions to ligand-receptor interactions. Molecular descriptors which explicitly account for the electrostatic contribution to the interaction (CoMFA, CoMSIA, and surface approaches) perform well, but they do not improve the quantitative models. Moreover, useful hints for the identification of the antagonist binding site in the three-dimensional modeling of the receptor (direct approach) were provided by the receptor hypothesis derived by the pharmacophoric approach. The ligand-receptor complexes obtained provided a detailed description of the modalities of the interaction and interesting suggestions for further experiments.
Electrets (2014)

Abstract Electrets are materials that have a permanent electric field at their surface, analogous to how magnets have a permanent magnetic field. Their electric field arises from a net electrical charge or polarization. This article focuses on the former: electrets that bear a net charge. This charge can develop and dissipate in various ways; this article briefly describes advances in our understanding of how charge develops by contact electrification, corona charging, and direct charging from electrodes, and how charge dissipates by electrostatic discharge and charge decay. We also describe ways to pattern charge, including electrostatic microcontact printing, atomic force microscope‐assisted nanolithography, and new techniques for forming three‐dimensional structures. Lastly, we highlight several relatively new or still‐developing uses for electrets, including electrostatic self‐assembly for sub‐micron xerography, electrostatic generators for harvesting energy or for self‐powered sensing, sources of X‐rays that do not require high‐voltage sources of power, bioactive materials for implants, and electret‐driven chemical reactions.
Benchmarking of particle-in-cell simulations with monte carlo collisions (2012)

Summary form only given. As a direct solution of the Boltzmann equation, particle-in-cell simulation potentially yields highly accurate descriptions of low-temperature plasma. However, this accuracy is realised only with correct implementation and appropriately chosen numerical parameters. Particle-in-cell simulation is a computationally intensive procedure. Consequently, efficient implementations that take full advantage of the resources of modern computer hardware are highly desirable. Such hardware typically offers some degree of parallelisation, such as is found in multicored processors and graphical processing units. Implementations exploiting these facilities can be orders of magnitude faster than traditional serialized approaches. However, parallelisation introduces a great increase in algorithmic complexity, and thereby intensifies concerns about correct implementation. In this report we describe a suite of benchmark calculations for particle-in-cell simulations, making use of LXcat cross section data. These bench marks have three aims: (1) verification, i.e, to demonstrate correct implementation (2) to facilitate performance comparisons of different implementations and (3) to provide a baseline for other simulation methods. We will discuss the benchmarks, which include measurements of plasma kinetic properties, transport coefficients and discharge simulations, together with the results obtained from a variety of particle-in-cell implementations.
Shadow Radiation Iterative Physical Optics Method for High-Frequency Scattering (2017)

A shadow-radiation-based fast iterative physical optics (IPO) scheme, for the analysis of the scattering from large complex geometries involving multiple reflection and occlusion effects, is proposed. By employing a “shadow-radiation” mechanism, the scheme alleviates the need for expensive computation and storage of a geometric visibility function. In a nested fashion, shadow radiation iterations are performed for each “bounce” in the conventional multiple reflection IPO scheme. The resulting method makes use of simple field integrals which are all accelerable using a multilevel nonuniform grid-based field evaluation algorithm, with a modification tailored to the scheme's integral kernels. The proposed scheme is also shown analytically to be a more stable (faster converging) equivalent of existing IPO schemes. The method is studied in terms of accuracy and performance for representative examples and compared with alternative physical optics and numerically exact solution techniques.
Grasp Recognition with Uncalibrated Data Gloves - A Comparison of Classification Methods (2007)

This paper presents a comparison of various classification methods for the problem of recognizing grasp types involved in object manipulations performed with a data glove. Conventional wisdom holds that data gloves need calibration in order to obtain accurate results. However, calibration is a time-consuming process, inherently user-specific, and its results are often not perfect. In contrast, the present study aims at evaluating recognition methods that do not require prior calibration of the data glove, by using raw sensor readings as input features and mapping them directly to different categories of hand shapes. An experiment was carried out, where test persons wearing a data glove had to grasp physical objects of different shapes corresponding to the various grasp types of the Schlesinger taxonomy. The collected data was analyzed with 28 classifiers including different types of neural networks, decision trees, Bayes nets, and lazy learners. Each classifier was analyzed in six different settings, representing various application scenarios with differing generalization demands. The results of this work are twofold: (1) We show that a reasonably well to highly reliable recognition of grasp types can be achieved - depending on whether or not the glove user is among those training the classifier - even with uncalibrated data gloves. (2) We identify the best performing classification methods for recognition of various grasp types. To conclude, cumbersome calibration processes before productive usage of data gloves can be spared in many situations.
Recognizing GSM digital speech (2005)

The Global System for Mobile (GSM) environment encompasses three main problems for automatic speech recognition (ASR) systems: noisy scenarios, source coding distortion, and transmission errors. The first one has already received much attention; however, source coding distortion and transmission errors must be explicitly addressed. In this paper, we propose an alternative front-end for speech recognition over GSM networks. This front-end is specially conceived to be effective against source coding distortion and transmission errors. Specifically, we suggest extracting the recognition feature vectors directly from the encoded speech (i.e., the bitstream) instead of decoding it and subsequently extracting the feature vectors. This approach offers two significant advantages. First, the recognition system is only affected by the quantization distortion of the spectral envelope. Thus, we are avoiding the influence of other sources of distortion as a result of the encoding-decoding process. Second, when transmission errors occur, our front-end becomes more effective since it is not affected by errors in bits allocated to the excitation signal. We have considered the half and the full-rate standard codecs and compared the proposed front-end with the conventional approach in two ASR tasks, namely, speaker-independent isolated digit recognition and speaker-independent continuous speech recognition. In general, our approach outperforms the conventional procedure, for a variety of simulated channel conditions. Furthermore, the disparity increases as the network conditions worsen.
Coupling of Mine Grounds to Surface Grounds (1986)

The mining industry in the United States is unique in utilizing a separate mine ``safety ground'' for the working area of the mine which is kept isolated from other ground systems used to ground lightning arrestors, static lines, or equipment frames in surface substations. It is kept isolated from the other grounds to prevent potentials which appear on these grounds as the result of lightning activity or faults outside the mine from energizing the frames of mining equipment, thereby posing a shock hazard to workers using that equipment. Although this separation of grounds is desirable and is required by MSHA regulations for many types of mining operations, the goal of preventing the coupling of potentials from one ground to the other can be difficult or almost impossible to achieve in some rather typical mine environments. Several ways in which coupling has been observed to occur are documented, and the extent of such coupling is estimated. The difficulties inherent in reducing this coupling are reviewed, along with some specific new hazards which may arise in so doing. Finally, estimates are presented which indicate that the absolute potentials of large structures are not as hazardous as similar potentials on much smaller structures.
Gabapentin: A New Agent for the Management of Epilepsy (1994)

Gabapentin appears to be a useful new AED. Further studies evaluating its use as monotherapy, in higher dosages, and in pediatric and elderly patients are required to better delineate its therapeutic role relative to that of other AEDs.
Crucial role for the LSP1–myosin1e bimolecular complex in the regulation of Fcγ receptor–driven phagocytosis (2015)

Actin cytoskeleton remodeling is fundamental for Fcγ receptor-driven phagocytosis. In this study, we find that the leukocyte-specific protein 1 (LSP1) localizes to nascent phagocytic cups during Fcγ receptor-mediated phagocytosis, where it displays the same spatial and temporal distribution as the actin cytoskeleton. Down-regulation of LSP1 severely reduces the phagocytic activity of macrophages, clearly demonstrating a crucial role for this protein in Fcγ receptor-mediated phagocytosis. We also find that LSP1 binds to the class I molecular motor myosin1e. LSP1 interacts with the SH3 domain of myosin1e, and the localization and dynamics of both proteins in nascent phagocytic cups mirror those of actin. Furthermore, inhibition of LSP1-myosin1e and LSP1-actin interactions profoundly impairs pseudopodial formation around opsonized targets and their subsequent internalization. Thus the LSP1-myosin1e bimolecular complex plays a pivotal role in the regulation of actin cytoskeleton remodeling during Fcγ receptor-driven phagocytosis.
Explaining Family Caregiver Role Strain Following Autologous Blood and Marrow Transplantation (2006)

This research project explores family caregiving processes during the first 100 days following autologous blood and marrow transplantation (ABMT). In this paper, we (1) explore patterns in caregiving, and ABMT recipient function early recovery from ABMT; (2) examine the relationships among caregiver demographics, relationship quality, preparedness, ABMT recipient function, predictability of caregiving, caregiver role strain and rewards of caregiving; and (3) examine the relative contribution of caregiver age, preparedness, relationship quality, and ABMT recipient function on caregiver role strain, and rewards of caregiving. Fifty-two family caregivers of ABMT recipients completed questionnaires about caregiving at hospital discharge, and again 2, 6, and 12 weeks following discharge. The amount of caregiving activities performed, and caregiver role strain, declined steadily from 2 weeks to 12 weeks of recovery. The caregiving situation was relatively predictable during recovery, and caregivers reported that caregiving was consistently rewarding. The caregiving activities rated as most difficult were those related to supporting recipients' emotional well-being. Strain from caregiving, although low, was explained by disruption in recipients' emotional and physical functioning, while caregiving rewards were explained by caregivers' preparedness for caregiving. Relationship quality, a significant predictor of strain in other samples, did not influence caregiving strain or rewards in this population. Caregiving processes delineated in studies of caregivers of persons with chronic illness are quite different from those described in this study. The acuity of the recipients' illness, the life threatening nature of the treatment, and the younger age of caregivers, and recipients, may underlie these differences.
High sensitivity low dark current 10 μm GaAs quantum well infrared photodetectors (1990)

By increasing the quantum well barrier width, we have dramatically reduced the tunneling dark current by an order of magnitude and thereby significantly increased the blackbody detectivity D*BB. For a GaAs quantum well infrared detector having a cutoff wavelength of λc=10.7 μm, we have achieved D*BB =1.0×1010 cm (Hz)1/2/W at T=68 K, a temperature which is readily achievable with a cryogenic cooler.
Guided self-assembly of molecular dipoles on a substrate surface (2003)

Molecules adsorbed on a substrate surface can self-assemble into a monolayer. This article models the process of self-assembly guided by an external object. The molecules are electric dipoles, diffusing on the surface at an elevated temperature. Pre-pattern a flat mask with a submonolayer of immobile atoms, which gives rise to a patterned contact potential field. Bring the mask to a small distance above the substrate. The electrostatic interaction transfers the pattern on the mask to a molecular pattern on the substrate. Similarly, one can place above the molecules a charged conducting tip, or a mask that is pre-patterned with a topographic surface. Our model includes the mobile molecular dipoles on the substrate surface, the guiding object, and the electrostatic field in the intervening space. A nonlinear diffusion equation simulates the pattern transfer process. Numerical results are presented when the guiding object is a flat metal, patterned with a submonolayer of immobile atoms.
Design for Stable Lasing of an Indirect Injection THz Quantum Cascade Laser Operating at Less Than 2 THz (2017)

In order to realize high temperature lasing of low frequency (&lt; 2 THz) terahertz quantum cascade lasers (THz QCLs), selective carrier injection into an upper lasing level using an indirect injection (II) scheme is an effective method for inducing population inversion. The II scheme is realized with a four-level system. However, a three-level system that operates at low applied bias voltages causes additional lasing at higher frequencies (4～5 THz). By detuning the wave functions at the three lasing levels operating at low bias voltages, we were able to operate an II scheme THz QCL at a single stable frequency. Utilizing the higher injection selectivity, achieved through an indirect scattering-assisted injection process combined with diagonal emission, we were able to demonstrate stable operation of an AlGaAs/GaAs QCL operating at 1.89 THz at temperatures up to 160 K.
Preparation and Properties of Linoleate Esters of Sucrose (1963)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPreparation and Properties of Linoleate Esters of SucroseE. G. Bobalek, A. P. de Mendoza, A. G. Causa, W. J. Collings, and George KapoCite this: Ind. Eng. Chem. Prod. Res. Dev. 1963, 2, 1, 9–16Publication Date (Print):March 1, 1963Publication History Published online1 May 2002Published inissue 1 March 1963https://pubs.acs.org/doi/10.1021/i360005a003https://doi.org/10.1021/i360005a003research-articleACS PublicationsRequest reuse permissionsArticle Views139Altmetric-Citations3LEARN 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 options Get e-Alerts
Research on the Gap Flow Simulation of Debris Removal Process for Small Hole EDM Machining with Ti Alloy (2015)

In EDM, especially in small holes EDM machining, there will be a lot of debris produced which is difficult to remove from narrow gap. If the debris can't be removed in time, it will affect the machining accuracy and efficiency, and sometimes even unable to complete the processing. In this paper, the debris movement and escaping process in gap flow between electrodes in the case of Ti alloy small hole EDM machining were studied by combining the means of simulation analysis and experiment study. The perturbation generated by the movement of self-adaptive tool in the gap flow were taken into consideration and the methods of smoothing and remeshing were also applied in order to build a model for the debris movement in the gap flow. And then, the law of debris movement under different depths was analyzed and the distribution rules about pressure field and velocity vector were summarized. Finally, the model was verified by the experiment result showing that the appearances of uneven wear at the bottom of hole and the taper wall are both in accordance with simulating conclusions.
A harmonized resource of integrated prostate cancer clinical, -omic, and signature features (2023)

Genomic and transcriptomic data have been generated across a wide range of prostate cancer (PCa) study cohorts. These data can be used to better characterize the molecular features associated with clinical outcomes and to test hypotheses across multiple, independent patient cohorts. In addition, derived features, such as estimates of cell composition, risk scores, and androgen receptor (AR) scores, can be used to develop novel hypotheses leveraging existing multi-omic datasets. The full potential of such data is yet to be realized as independent datasets exist in different repositories, have been processed using different pipelines, and derived and clinical features are often not provided or not standardized. Here, we present the curatedPCaData R package, a harmonized data resource representing >2900 primary tumor, >200 normal tissue, and >500 metastatic PCa samples across 19 datasets processed using standardized pipelines with updated gene annotations. We show that meta-analysis across harmonized studies has great potential for robust and clinically meaningful insights. curatedPCaData is an open and accessible community resource with code made available for reproducibility.
The Effect of Live Yeast and Yeast Extracts on Antimicrobial Susceptibilities of Fecal Escherichia coli of Nursery Pigs Weaned from Sows Fed Diets with or without Yeast Additives (2021)

A total of 340 weaned pigs (Line 241 × 600, DNA; initially 11.2 lb BW) were used in a 45-d study to evaluate previous sow treatment (control vs. yeast additives) and nursery diets with or without added yeast-based pre- and probiotics (Phileo by Lesaffre, Milwaukee, WI) on antimicrobial resistance (AMR) patterns of fecal Escherichia coli. At placement in the nursery, pigs were housed by pen based on sow treatment and randomly assigned to 1 of 2 dietary treatments with 5 pigs per pen and 17 pens per treatment. Treatments were arranged in a 2 × 2 factorial with main effects of sow treatment (control vs. yeast-based pre- and probiotic diet; 0.10% ActiSaf Sc 47 HR+ and 0.025% SafMannan) and nursery treatment (control vs. yeast-based pre- and probiotic diet; 0.10% ActiSaf Sc 47 HR+, 0.05% SafMannan, and 0.05% NucleoSaf from d 0 to 7, then concentrations were lowered by 50% from d 7 to 24). All pigs were fed a common diet from d 24 to 45 post-weaning. The E. coli was isolated from fecal samples and species confirmation was accomplished by PCR detection of uidA and clpB genes. Microbroth dilution method (Sensititre CMV3AGNF panel plates) was used to determine the minimum inhibitory concentrations (MIC) of E. coli isolates to 14 different antimicrobials. Isolates were categorized as either susceptible, intermediate, or resistant based on Clinical and Laboratory Standards Institute guidelines. A three-way interaction of sow treatment × nursery treatment × sampling day was observed (P < 0.05) for ciprofloxacin, gentamicin, sulfisoxazole, and trimethoprim/ sulfamethoxazole. Fecal E. coli isolated from pigs of the yeast-supplemented sow group had increased (P = 0.034) MIC to nalidixic acid and a tendency for increased MIC to ciprofloxacin (P = 0.065) and gentamicin (P = 0.054). Yet, when yeast additives were fed in the nursery there was reduced (P < 0.05) fecal E. coli AMR to azithromycin and chloramphenicol. All fecal E. coli isolates were considered susceptible to all antimicrobials, except tetracycline on d 5. In conclusion, feeding sows live yeast and yeast extracts could potentially impact fecal E. coli AMR in their progeny. Furthermore, feeding live yeast and yeast additives in the nursery may alleviate the AMR of azithromycin and chloramphenicol of E. coli isolated from nursery pig fecal material.
Organ‐Cultured Human Skin for the Study of Epithelial Cell Invasion of Stroma (2012)

This chapter contains sections titled: Introduction Technical and logistical considerations Use of organ-cultured human skin to study skin physiology and pathophysiology Epithelial cell invasion of the stroma in organ-cultured skin EGF-induced invasion in normal skin: relationship to malignant invasion Summary References
New Antifungal 1,2,4-Triazoles with Difluoro(heteroaryl)methyl Moiety. (2000)

New 1,2,4-triazoles (1) having a difluoro(heteroaryl)methyl moiety were designed and synthesized via 1-aryl-2,2-difluoro-2-(heteroaryl)ethanones (2), which were prepared by two routes starting from the reaction of ethyl 2,2-difluoro(heteroaryl)acetate with phenyllithiums (Route A) and from the reaction of chlorodifluoro(heteroaryl)methane with benzaldehydes (Route B). The compounds 1 except for 1g show antifungal activities against yeasts and filamentous fungi in vitro, especially (+)-1f have equal or superior activities compared to those of itraconazole.