gebhart/patrepeval huggingface dataset:
Property-optimized Gaussian basis sets for molecular response calculations (2010)

With recent advances in electronic structure methods, first-principles calculations of electronic response properties, such as linear and nonlinear polarizabilities, have become possible for molecules with more than 100 atoms. Basis set incompleteness is typically the main source of error in such calculations since traditional diffuse augmented basis sets are too costly to use or suffer from near linear dependence. To address this problem, we construct the first comprehensive set of property-optimized augmented basis sets for elements H-Rn except lanthanides. The new basis sets build on the Karlsruhe segmented contracted basis sets of split-valence to quadruple-zeta valence quality and add a small number of moderately diffuse basis functions. The exponents are determined variationally by maximization of atomic Hartree-Fock polarizabilities using analytical derivative methods. The performance of the resulting basis sets is assessed using a set of 313 molecular static Hartree-Fock polarizabilities. The mean absolute basis set errors are 3.6%, 1.1%, and 0.3% for property-optimized basis sets of split-valence, triple-zeta, and quadruple-zeta valence quality, respectively. Density functional and second-order Møller-Plesset polarizabilities show similar basis set convergence. We demonstrate the efficiency of our basis sets by computing static polarizabilities of icosahedral fullerenes up to C(720) using hybrid density functional theory.
Exploring the connection (2002)

The portrayal of the family as a vital support mechanism is a notable feature of the literature on ethnic minority enterprise. Indeed, the family is seen as a veritable generator of entrepreneurial activity among immigrant-origin communities. By implication the family is a provider of crucial business resources not available to ‘ethnic majority’ enterprise. As such, it confers a competitive advantage over mainstream businesses, which in most other respects might be assumed to have the upper hand. One of the most emphatic statements of this relationship is proffered by Sanders and Nee (1996), who portray immigrant-origin business in the USA as rooted in the social capital derived from the kind of traditional close-knit family solidarity which, it might be thought, no longer plays a central part in mainstream modern urban society. At first sight, this seems a plausible explanation. In contemporary Britain as in the USA, ethnic minority entrepreneurs display a remarkably high profile among the ranks of the business-owning class, with self-employment rates among the South Asian (Indian, Pakistani, Bangladeshi) population, for example, standing at least 60 per cent higher than that of the white population (Barrett et al., 2001).
Cleavage of type II and III collagens with mammalian collagenase: site of cleavage and primary structure at the amino-terminal portion of the smaller fragment released from both collagens (1976)

Collagenase cleavage of human Type II and III collagens has been studied using a highly purified preparation of rabbit tumor collagenase. Progress of the reactions in solution was followed by viscometry and the results indicated that under the conditions employed Type III collagen molecules were cleaved at approximately five times the rate of Type II molecules. Cleavage products of the reactions were isolated in denatured form by agarose molecular sieve chromatography. The molecular weights and amino acid compositions of the products demonstrated that Type II and III molecules had been cleaved at the characteristic three-quarter, one-quarter locus, giving rise to a large fragment derived from the NH2-terminal portion of the molecule and a smaller fragment representing the COOH-terminal region. The amino acid sequence at the NH2-terminal portion of the smaller fragment derived from Type II collagen was determined to be Ile-Ala-Gly-Gln-Arg, and the corresponding region from Type III collagen was found to have the sequence Leu-Ala Gly-Leu-Arg. These sequences for alpha1(II) and alpha1(III) chains adjacent to the site of collagenase cleavage along with previous data for alpha1(I) and alpha2 chains indicate that the minimum specific sequence required for collagenase cleavage is Gly-Ile-Ala or Gly-Leu-Ala. Inspection of the available sequence data for collagen alpha chains indicates that the latter sequences are found in at least three additional locations at which collagenase cleavage does not occur. Each of the sequences which are apparently not substrates for collagenase, however, are followed by a Gly-X-Hyp sequence. We suggest, then, that a minimum of five residues in collagen alpha chains COOH-terminal to the cleavage site comprise the substrate recognition site.
Macrophage Infection by Dimorphic Fungi (2012)

Mammalian infection by dimorphic fungi occurs through the inhalation of asexual spores (conidia), which are phagocytosed by host pulmonary alveolar macrophages of the innate immune system. Once phagocytosed, fungal conidia germinate into the pathogenic cell type; unicellular yeast cells which divide by fission (Vanittanakom et al., 2006; Boyce et al., 2011). To investigate if mutation of a particular fungal gene affects macrophage phagocytosis or the production of yeast cells, a murine macrophage cell culture assay can be utilized. This protocol was developed for Penicillium marneffei but is applicable to most dimorphic fungi., 两形态真菌的哺乳动物感染通过吸入无性孢子（分生孢子）发生，所述无性孢子被先天免疫系统的宿主肺泡巨噬细胞吞噬。 一旦被吞噬，真菌分生孢子萌发成致病细胞类型; 通过裂变分裂的单细胞酵母细胞（Vanittanakom et al。，2006; Boyce et al。，2011）。 为了研究特定真菌基因的突变是否影响巨噬细胞吞噬作用或酵母细胞的产生，可以利用鼠巨噬细胞培养测定法。 该方案是为马尼埃青霉开发的，但适用于大多数二形真菌。
Dysregulated T Cell Activation and Aberrant Cytokine Expression Profile in Systemic Lupus Erythematosus (2019)

Accumulating evidence indicates a critical role for T cells and relevant cytokines in the pathogenesis of systemic lupus erythematosus (SLE). However, the specific contribution of T cells together with the related circulating cytokines in disease pathogenesis and organ involvement is still not clear. In the current study, we investigated relevant molecule expressions and cytokine levels in blood samples from 49 SLE patients and 22 healthy control subjects. The expression of HLA-DR and costimulatory molecules on T cells was evaluated by flow cytometry. Concentrations of serum C-reactive protein, erythrocyte sedimentation rate, anti-double-stranded DNA (anti-dsDNA) antibody, total lgG, complement 3, and complement 4 were measured. Serum cytokines and chemokines were measured by a cytometric bead array assay. Elevated frequencies of HLA-DR<sup>+</sup> T cells and ICOS<sup>+</sup> T cells were observed in SLE patients with positive anti-dsDNA antibodies compared with those in healthy controls (<i>P</i> < 0.001). The expression of HLA-DR<sup>+</sup> T cells was positively correlated with SLEDAI (<i>r</i> = 0.15, <i>P</i> < 0.01). Furthermore, levels of serum IL-6, MCP-1, TNFRI, IL-10, IL-12, and CCL20 were higher in SLE patients compared with healthy controls. In addition, patients with hematologic manifestations displayed elevated frequencies of HLA-DR<sup>+</sup> T cells and ICOS<sup>+</sup> T cells. Patients with renal manifestations had a decreased frequency of TIGIT<sup>+</sup> T cells. These results suggested a dysregulated T cell activity and cytokine expression profiles in SLE subjects. We also developed a chemokine and cytokine profiling strategy to predict the activity of SLE, which has clinical implication for better monitoring the flares and remission during the course of SLE and for assessing therapeutic interventions.
Fatty acid esters of glycidol in refined fats and oils (2010)

Abstract Discrepancies in the analysis of 3‐chloropropane‐1,2‐diol (3‐MCPD) esters can be explained by the hypothesis that in some refined oils significant amounts of fatty acid esters of glycidol (glycidyl esters) are present in addition to 3‐MCPD esters. Glycidyl esters were separated from triacylglycerols by gel permeation chromatography (GPC) and detected by gas chromatography‐mass spectrometry (GC‐MS). Six samples of palm oil and palm oil‐based fats were analyzed by GPC and GC‐MS. In chromatograms of all samples, significant peaks, retention time and mass spectra in conformity with self‐synthesized glycidyl palmitate and glycidyl oleate were detectable. Quantification of individual glycidyl esters was not possible because of a lack of pure standards. Concentration of ester‐bound glycidol in different samples of fats and oils was estimated using an indirect difference method. Glycidyl esters could be detected only in refined, but not in crude or native, fats and oils. The highest concentrations were detected in palm oil and palm oil‐based fats. In a palm oil sample, glycidyl ester concentration varied according to different deodorization parameters, temperature, and time, while 3‐MCPD ester concentration was relatively constant, indicating that mitigation of glycidyl esters possibly may be achieved by optimizing refining parameters.
The evolution of hospitalist programs. (2000)

In just a few years, hospitalist programs have evolved to a third generation, affording key participants an opportunity to reduce inpatient healthcare costs. Because the method of inpatient payment determines the economic winners and losers in the program, the key participants will benefit from the implementation of a program that includes shared incentives. Even though reduced payments for inpatient services might be offset by reduced variable costs for hospitals and increased office revenues for primary care physicians, a hospitalist program is more likely to achieve sustained success if it is structured so that financial rewards are distributed fairly among the participants.
Celiac Disease (2009)

Celiac disease is a common multisystemic disorder that may be diagnosed at any age. Owing to the increasing prevalence, prevention strategies, including encouragement of breastfeeding and introduction of small amounts of gluten whereas still on breastfeeding at fourth to sixth month of age, become more important than before. For avoiding complications of celiac disease, a strict gluten-free diet is essential. A lifelong gluten-free diet may bring about difficulties as avoiding gluten completely is problematic owing to the contamination with gluten of presumably gluten free foods. New therapeutic approaches include enzyme supplementation, correction of the intestinal barrier defect against gluten entry, blocking of gliadin presentation by human leukocyte antigen blockers and tissue transglutaminase inhibitors.
Nonnegative OPLS for Supervised Design of Filter Banks: Application to Image and Audio Feature Extraction (2017)

Audio or visual data analysis tasks usually have to deal with high-dimensional and nonnegative signals. However, most data analysis methods suffer from overfitting and numerical problems when data have more than a few dimensions needing a dimensionality reduction preprocessing. Moreover, interpretability about how and why filters work for audio or visual applications is a desired property, especially when energy or spectral signals are involved. In these cases, due to the nature of these signals, the nonnegativity of the filter weights is a desired property to better understand its working. Because of these two necessities, we propose different methods to reduce the dimensionality of data while the nonnegativity and interpretability of the solution are assured. In particular, we propose a generalized methodology to design filter banks in a supervised way for applications dealing with nonnegative data, and we explore different ways of solving the proposed objective function consisting of a nonnegative version of the orthonormalized partial least-squares method. We analyze the discriminative power of the features obtained with the proposed methods for two different and widely studied applications: texture and music genre classification. Furthermore, we compare the filter banks achieved by our methods with other state-of-the-art methods specifically designed for feature extraction.
Amyloid β Regulates the Expression and Function of AIP1 (2014)

Apoptosis signal-regulating kinase 1-interacting (ASK1-interacting) protein-1 (AIP1) is a newly identified novel member of the Ras GTPase-activating protein family, which has been implicated in cell growth inhibition and cell apoptosis. However, the effects of AIP1 in Alzheimer's disease (AD) are unknown. In the present study, we found that AIP1 was elevated in the brain of AD Tg2576 mice and Aβ1-42 treated brain cerebral microvascular endothelial cells (CECs). Aβ1-42 treatment induced the interaction of AIP1 and apoptosis signal-regulating kinase 1 (ASK1), which led to dissociation of ASK1 and its inhibitor 14-3-3. Dissociation of ASK1 from 14-3-3 leads to ASK1 activation. Indeed, Aβ1-42 dephosphorylated ASK1 at Ser-967, suggesting that Aβ1-42 increased ASK1 activity. Importantly, disassociation of ASK1 and 14-3-3 induced by Aβ1-42 could be rescued by silence of AIP1. In addition, down-regulation of AIP1 also led to attenuation of the activation of JNK, as well as p53, downstream signaling targets of ASK1. AIP1 silencing attenuated the pro-apoptotic effects of Aβ1-42 on CECs. We propose that AIP1 mediates Aβ induced ASK1 activation by facilitating dissociation of 14-3-3, suggesting a novel mechanism for Aβ-induced apoptosis in CECs.
Managing Learning and Turnover in Employee Staffing (2002)

We study the employee staffing problem in a service organization that uses employee service capacity to meet random, nonstationary service requirements. The employees experience learning and turnover on the job, and we develop a Markov Decision Process (MDP) model which explicitly represents the stochastic nature of these effects. Theoretical results show that the optimal hiring policy is of a state-dependent “hire-up-to” type, similar to an inventory “order-up-to” policy. For two important special cases, a myopic policy is optimal. We also test a linear programming (LP) based heuristic, which uses average learning and turnover behavior, in stationary environments. In most cases, the LP-based policy performs quite well, within 1% of optimality. When flexible capacity—in the form of overtime or outsourcing—is expensive or not available, however, explicit modeling of stochastic learning and turnover effects may improve performance significantly.
ON THE MECHANISM OF TEMPERATURE INDEPENDENCE IN A BIOLOGICAL CLOCK (1957)

Diurnal rhythms which persist under constant conditions have been found in a variety of plants and animals (see Bunning;(1) Pittendrigh (2)). Most of the evidence points to the conclusion that diurnal rhythmicity is endogenous and results from oscillations of physiological processes of one sort or another. An unusual feature of many rhythms, however, is their temperature independence. In instances where study has been directed toward the temperature characteristics (Wahl;(3) Brown and Webb;(4) Pittendrigh;(5) Bruce and Pittendrigh;(6) Buihnemann(7)), it has been found that the period, or duration of a cycle, is unaffected or only slightly affected by temperature changes. The way in which this is achieved in organisms which are otherwise markedly temperature-sensitive is not known. It is possible that some uncontrolled environmental variable might be involved, i.e., that there is an exogenous factor which plays a role in determining the period in rhythmic organisms. Another possibility is that temperature compensation is incorporated as a part of the rhythmic mechanism. In either case, it may be noted that temperature independence constitutes support for the idea that a diurnal rhythm could be related to an accurate biological timing device, or clock. If, in fact, the rhythms are related to a chronometer mechanism, the significance of temperature independence is clear.
Performance analysis and tuning for a single-chip multiprocessor DSP (1997)

A new generation of high performance programmable digital signal processors has a highly integrated parallel architecture, incorporating special purpose hardware features, on-chip memory, and multiple processors into a single chip. Such single chip multiprocessor DSPs, however, require a sophisticated performance monitoring tool to achieve maximum performance. The authors discuss the requirements and functionality of performance monitoring tools suitable for single chip multiprocessor DSPs. Specifically, they describe a performance monitoring tool that satisfies these requirements and functionality: the MVP Performance Monitor, developed for the Texas Instruments' TMS320C80 Multimedia Video Processor. They present an overview of the MPM and a general performance tuning approach using the MPM. An 8/spl times/8 block based 2D discrete cosine transform (DCT) implementation demonstrates the MPM's effectiveness. The authors achieved an overall speedup of 4.67 by tuning the performance based on the monitoring results from the MPM.
Acylation Studies in the Thiophene and Furan Series. II. Zinc Chloride Catalyst (1947)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAcylation Studies in the Thiophene and Furan Series. II. Zinc Chloride CatalystHoward D. Hartough and Alvin I. KosakCite this: J. Am. Chem. Soc. 1947, 69, 5, 1012–1013Publication Date (Print):May 1, 1947Publication History Published online1 May 2002Published inissue 1 May 1947https://doi.org/10.1021/ja01197a010Request reuse permissionsArticle Views628Altmetric-Citations32LEARN 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 InReddit PDF (237 KB) Get e-Alertsclose Get e-Alerts
Graphical Models for Genetic Analyses (2003)

This paper introduces graphical models as a natural environment in which to formulate and solve problems in genetics and related areas. Particular emphasis is given to the relationships among various local computation algorithms which have been developed within the hitherto mostly separate areas of graphical models and genetics. The potential of graphical models is explored and illustrated through a number of example applications where the genetic element is substantial or dominating.
Parking Space Recognition for Autonomous Valet Parking Using Height and Salient-Line Probability Maps (2015)

An autonomous valet parking (AVP) system is designed to locate a vacant parking space and park the vehicle in which it resides on behalf of the driver, once the driver has left the vehicle. In addition, the AVP is able to direct the vehicle to a location desired by the driver when requested. In this paper, for an AVP system, we introduce technology to recognize a parking space using image sensors. The proposed technology is mainly divided into three parts. First, spatial analysis is carried out using a height map that is based on dense motion stereo. Second, modelling of road markings is conducted using a probability map with a new salient-line feature extractor. Finally, parking space recognition is based on a Bayesian classifier. The experimental results show an execution time of up to 10 ms and a recognition rate of over 99%. Also, the performance and properties of the proposed technology were evaluated with a variety of data. Our algorithms, which are part of the proposed technology, are expected to apply to various research areas regarding autonomous vehicles, such as map generation, road marking recognition, localization, and environment recognition.
Palliation of Malignant Gastric Outlet Obstruction with Self-Expanding Metal Stents (1996)

These preliminary results suggest that self-expanding stents can effectively relieve malignant gastric outlet obstruction.
Photochemical Pinacolization (1943)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTPhotochemical PinacolizationFelix Bergmann and Yehuda HirshbergCite this: J. Am. Chem. Soc. 1943, 65, 7, 1429–1430Publication Date (Print):July 1, 1943Publication History Published online1 May 2002Published inissue 1 July 1943https://pubs.acs.org/doi/10.1021/ja01247a501https://doi.org/10.1021/ja01247a501research-articleACS PublicationsRequest reuse permissionsArticle Views112Altmetric-Citations15LEARN 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
A study on liquid culture of Pleurotus florid Mutant L-456 using waste vegetable oil containing high fatty acid (2013)

This research was to investigate the liquid culture of Pleurotus florid Mutant L-456 using waste vgetable oil containing high fatty acid for mycelial growth and exopolysaccharde production. The optimal temperature ranges for mycelial growth werefound to be 25-30 . The optimal initial pH ranges of medium ℃ for mycelial growth and exopolysaccharide production were found to be 6.5-7.0. When glucose (2%) and vegetable oil (0.5%) mixture as the carbon source was used, the maximum mycelium growth and exopolysaccharide production were obtained, 4.9 and 3.0mg/L, respectively. Among various nitrogen sources, when peptone and yeast extract were used, the maximum mycelial growth and exopolysaccharide production were 5.1-5.2 and 3.1-3.6/L, respectively. This results shows that waste vgetable oil can be used as carbon source for effective mycelial growth and exopolysaccharde production from Pleurotus florid Mutant L-456.