gebhart/patrepeval huggingface dataset:
The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking (2014)

The implementation of an efficient program of the algebraic diagrammatic construction method for the polarisation propagator in third-order perturbation theory (ADC(3)) for the computation of excited states is reported. The accuracies of ADC(2) and ADC(3) schemes have been investigated with respect to Thiel's recently established benchmark set for excitation energies and oscillator strengths. The calculation of 141 vertical excited singlet and 71 triplet states of 28 small to medium-sized organic molecules has revealed that ADC(3) exhibits mean error and standard deviation of 0.12 ± 0.28 eV for singlet states and -0.18 ± 0.16 eV for triplet states when the provided theoretical best estimates are used as benchmark. Accordingly, the ADC(2)-s and ADC(2)-x calculations revealed accuracies of 0.22 ± 0.38 eV and -0.70 ± 0.37 eV for singlets and 0.12 ± 0.16 eV and -0.55 ± 0.20 eV for triplets, respectively. For a comparison of CC3 and ADC(3), only non-CC3 benchmark values were considered, which comprise 84 singlet states and 19 triplet states. For these singlet states CC3 exhibits an accuracy of 0.23 ± 0.21 eV and ADC(3) an accuracy of 0.08 ± 0.27 eV, and accordingly for the triplet states of 0.12 ± 0.10 eV and -0.10 ± 0.13 eV, respectively. Hence, based on the quality of the existing benchmark set it is practically not possible to judge whether ADC(3) or CC3 is more accurate, however, ADC(3) has a much larger range of applicability due to its more favourable scaling of O(N(6)) with system size.
Endoscopic Biliary Drainage without Endoscopic Sphincterotomy (1995)

Abstract: Endoscopic biliary drainage (EBD) is usually performed after endoscopic sphincterotomy (EST). In some patients, however, EBD without EST, so‐called nonEST‐EBD, is also effective. Thirty‐four patients treated from 1983 to the present, were investigated to estimate the usefulness, safety, and drawbacks of nonEST‐EBD. First, the reasons for adopting nonEST‐EBD were reviewed in each patient. The most common reason was to reduce jaundice so as to preserve the function of the papilla of Vater in patients with choledocholithiasis who were to undergo surgery. However, such patients were treated in the early period of the investigation, and most would have undergone EST just after endoscopic retrograde cholangiography (ERC), had they been treated more recently. The most important reason, at present, was, thus, to avoid bleeding in patients with general or local hemorrhagic diathesis, who accounted for 20.6% (7/34 of our subjects). Next, the effect of drainage was examined. Drainage in seven patients was judged to be excellent, while that in 15 patients was determined to be effective. In 10 patients without jaundice, nonEST‐EBD was performed to prevent jaundice. Therefore, in 91.7% of patients (22/24), nonEST‐EBD was considered to be useful. Changes in the serum amylase level were investigated to estimate the safety of nonEST‐EBD. Twenty‐seven patients with nonEST‐EBD, in whom the serum amylase level was within normal limits before treatment, and 57 patients with EBD after EST were evaluated. No statistically significant difference was recognized between these two groups in the degree of serum amylase elevation after drainage. NonEST‐EBD is concluded to be an effective and safe method of reducing jaundice, if appropriate patients are selected.
En guise de conclusion (1993)

Chevalier Yves. En guise de conclusion. In: Cahiers de sociologie économique et culturelle, n°19, 1993. pp. 170-172.
Ion and Molecular Recognition by Lower Rim 1,3-Di-conjugates of Calix[4]arene as Receptors (2011)

ADVERTISEMENT RETURN TO ISSUEPREVReviewNEXTIon and Molecular Recognition by Lower Rim 1,3-Di-conjugates of Calix[4]arene as ReceptorsRoymon Joseph and Chebrolu Pulla Rao*View Author Information Bioinorganic Laboratory, Department of Chemistry, Indian Institute of Technology, Bombay, Mumbai 400 076, IndiaPhone: +91 22 2576 7162. Fax: +91 22 2572 3480. E-mail: [email protected]Cite this: Chem. Rev. 2011, 111, 8, 4658–4702Publication Date (Web):April 22, 2011Publication History Received27 December 2010Published online22 April 2011Published inissue 10 August 2011https://doi.org/10.1021/cr1004524Copyright © 2011 American Chemical SocietyRequest reuse permissionsArticle Views6425Altmetric-Citations295LEARN 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 Read OnlinePDF (15 MB) Get e-AlertscloseSUBJECTS:Conjugate acid-base pairs,Fluorescence,Ions,Reaction products,Receptors Get e-Alerts
Maximizing film contrast for scanning equalization radiography (1990)

The results of a numerical simulation indicate that scanning equalization radiography (SER) provides the opportunity to use film/screen combinations of significantly higher contrast than currently practical in conventional chest radiography. These calculations which attempt to maximize overall image contrast while minimizing areas of over and under exposure demonstrate that optimum film gradient varies inversely with scanning beam area. Furthermore, we show that in an SER system which we have optimized for chest imaging that the peak film gamma gradient can be increased from that typical of conventional films (3.0-3.5) to approximately 7 with advantage.
Antigenicity of Carcinogen and Viral Induced Sarcomas in Inbred and Random Bred Guinea Pigs (1975)

Abstract A tumor specific transplantation antigen (TSTA) has been detected in a methylcholanthrene (MCA) induced guinea pig tumor. It was possible to induce resistance to rechallenge with the tumor by immunization with irradiated cells in CFA. In contrast, the same technique failed to detect TSTA in two viral (Kirsten strain mouse sarcoma virus, Ki-MSV) induced guinea pig tumors; these results are similar to observations made with mouse Ki-MSV-induced tumors. Transplantation studies with these tumors in both inbred and random-bred guinea pigs showed a complexity of growth and rejection patterns. The B alloantigen, a major serologically defined antigen of the guinea pig histocompatibility complex, seemed to play a central role in acting as a guinea pig transplantation antigen. In all cases studied, the absence of B antigens in the recipient led to tumor rejection and anti-B antibody protection.
Evaluating Thermographic Phosphors in an Operating Turbine Engine (1990)

The results of a field test in a commercial turbine engine showed that we can remotely measure the temperature of engine components in operating engines using thermographic phosphors. The remote-measurement method exploits the temperature dependence of the characteristic decay time of the laser-induced fluorescence of thermographic phosphors. This paper summarizes recent work leading up to and including a successful test of the thermographic-phosphor method in an operating turbine engine.
Privacy preserving electronic surveillance (2003)

Can protocols make privacy concerns no longer clash with security imperatives, by satisfying both? The former seems to preclude the widespread collection and sharing of data about individuals and their activities, whereas the latter (especially national security and law enforcement) seems to require it. This paper gives a step in the direction of satisfying both, by giving protocols that make the data-sharing about individuals and their actions conditional on these individuals being already on a list of known suspects, deadbeats, criminals, etc. More formally, if we call U the set of all identities, S the subset of U for which monitoring is authorized, Alice the monitoring agency (that alone knows S), Bob any of the data-collection entities, p e U the identity whose activity Bob has just observed, then the outcome of the protocol is that Alice learns the activity of p if and only if p e S, and Bob does not learn anything about the membership of p in S.
Atomistic deconstruction of clear performance advantages of a monolithically patterned wide-narrow-wide all-graphene FET (2009)

Experiments show that wide GNRs are all metallic while ultra thin ribbons (<10 nm in width) are all semiconducting [1] and the bandgap increases as the width get narrower. This leads us to design an all a graphene nanoribbon field effect transistor (GNRFET) and atomistically simulate its transport properties. We expect this system to benefit from the unique 2-D electrostatics of the source-drain regions and the covalent bonding at the contact-channel interfaces. Our device model is unique compared to standard treatments of all graphene nanoribbons with side gates [2], because our drain/source contacts and the channel are patterned from a single graphene sheet template. Also our top gate geometry is superior compared to the side gates that act through fringing fields and are susceptible to tunneling due to the absence of an interfacing oxide film. Simulations were conducted using orthogonal tight-binding (TB) and the bandstructures coupled with non-equilibrium Green's Function [3] (NEGF)-based quantum transport formalism. The simulated geometry includes a metallic gate approximately three times wider than the channel placed 1nm above it. A wide, finite, and grounded substrate is placed 3nm below the channel region to control the device I–V characteristics. We used HfO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> (k=16) as a high-k top-gate dielectric and SiO <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf> (k=3.9) as the substrate dielectric with grounded substrate contact.
Deficiency of the macrophage migration inhibitory factor gene has no significant effect on endotoxaemia (2000)

By targeted disruption of the MIF gene, we have established a mouse strain deficient in macrophage (Mphi) migration inhibitory factor (MIF). Despite previous reports indicating an essential role of MIF in endotoxaemia, an injection of lipopolysaccharide (LPS) into the MIF-deficient mice (maintained under specific pathogen-free conditions) caused shock. No significant difference was detected between the MIF-deficient mutant and normal mice in susceptibility to LPS for endotoxaemia or tumour necrosis factor-alpha (TNF-alpha) formation upon LPS injection. Peritoneal Mphi from the two strains produced TNF-alpha in response to LPS with similar dose responses. Dexamethasone suppressed the LPS-induced TNF-alpha response of Mphi, but no difference was detected between the Mphi from the two strains. These results suggest that endogenous MIF has no significant effect on the LPS-induced TNF-alpha production and no effect on suppression of the response by glucocorticoids. Thus, MIF is not crucial for LPS-induced immune responses leading to shock.
Live migration on ARM-based micro-datacentres (2018)

Live migration, underpinned by virtualisation technologies, has enabled improved manageability and fault tolerance for servers. However, virtualised server infrastructures suffer from significant processing overheads, system inconsistencies, security issues and unpredictable performance which makes them unsuitable for low-power and resource-constraint computing devices that processing latency-sensitive, “Big-data”-type data. Consequently, we ask: “How do we eliminate the overhead of virtualisation whilst still retaining its benefits?” Motivated by this question, we investigate a practical approach for a bare-metal live migration scheme for ARM-based instances low-power servers and edge devices. In this paper, we position ARM-based bare-metal live migration as a technique that will underpin the efficiency on edge-computing and on Micro-datacentres. We also introduce our early work on identifying three key technical challenges and discuss their solutions.
Newsletters and Adherence to a Weekly Home Spirometry Program after Lung Transplant (2010)

Context Newsletters are a common intervention for patients in clinical trials. However, it is not clear whether newsletters are associated with increased adherence to the health regimen, and if so, which aspects of the newsletter are reported as most helpful to patients. Objective To examine the association between patients' ratings of worthwhileness of a quarterly newsletter and adherence with a home spirometry regimen. Design Patients (n=48) were in a research-based spirometry program after lung transplant and had received at least 1 newsletter; 24 (50%) returned completed surveys via postal mail. Main Outcome Measures Adherence for forced vital pulmonary function tests for respondents versus nonrespondents, number of weeks they were adherent, ratings they gave the newsletter, and which components of the newsletters were helpful to the respondents. Results Respondents had more forced vital capacity pulmonary function tests (“blows”) overall, blew more times weekly, and blew more consistently from week to week than did nonrespondents. Although it was not statistically significant, a mild correlation was found between the number of weeks that the respondents were adherent and their ratings of the newsletter ( r = 0.36, P = .08). Most respondents reported that newsletter length was “about right,” and 86% reported that newsletters helped encourage regular spirometer use, maintain interest in the study, educate about general health, and alert readers to seasonal health risks. Implications for Practice High ratings for newsletters used to encourage participation among adults in our home spirometry study were associated with higher adherence.
Homeownership counseling performance: How can it be measured? (1996)

Abstract Homeownership counseling encompasses several educational activities. Early approaches focused on reducing the risk of default and foreclosure among participants in government‐assisted mortgage programs, but more recent approaches have focused on increasing homeownership opportunities among low‐income and minority households. Unfortunately, little is known about the effectiveness of these approaches in terms of the number of new homeowners and the mitigation of default risk. To address that gap, this article presents a theoretical and methodological framework to evaluate counseling efforts. A successful counseling program is defined as one that assists a household with a low long‐term probability of ownership in buying a home and reducing its default risk. We concede that the methodological requirements for evaluating counseling are somewhat restrictive. However, if we establish an evaluation procedure using these goals as a framework, we can more accurately determine the effects of counseling on the sustainability of low‐income homeownership.
Ascidiatrienolide A is a 10-membered lactone (1993)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAscidiatrienolide A is a 10-membered lactoneMiles S. Congreve, Andrew B. Holmes, Andrew B. Hughes, and Mark G. LooneyCite this: J. Am. Chem. Soc. 1993, 115, 13, 5815–5816Publication Date (Print):June 1, 1993Publication History Published online1 May 2002Published inissue 1 June 1993https://pubs.acs.org/doi/10.1021/ja00066a056https://doi.org/10.1021/ja00066a056research-articleACS PublicationsRequest reuse permissionsArticle Views651Altmetric-Citations64LEARN 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-AlertscloseSupporting Info (2)»Supporting Information Supporting Information Get e-Alerts
Long-term Results after Stereotactic Radiosurgery for Patients with Cavernous Malformations (2002)

Radiosurgery confers a reduction in the risk of hemorrhage for high-risk cavernous malformations. Risk reduction, although in evidence during initial follow-up, is most pronounced after 2 years. Given the difficulty of identifying high-risk patients, treatment after one major hemorrhage should be considered in selected younger patients. Such a strategy warrants further investigation.
Performance of a Reference Symbol Assisted Multistage Successive Interference Cancelling Receiver in a Multi-Cell CDMA Wireless System (1995)

The performance of a coherent multistage successive interference cancelling receiver using reference symbol as- sisted channel estimation is investigated for the reverse link of a multi-cell CDMA system. The transmitted signal struc- ture is designed to improve the accuracy of channel estimates in the presence of multi-user interference. The multi-cell results show that for hexagonal cell geometry with path loss exponent of 4 and without any forward error correction cod- ing, the capacity of the system is between 1.5 and 2.5 times that of a comparable commercial system. Traffic capacities with other path loss laws and cell geometries have also been determined and they show substantial improvement. The a results also demonstrate that insignificant gain can be ex- pected when the number of interference cancellation stages is increased beyond two.
Investigation on a three-stage hydrogen thermal compressor based on metal hydrides (2009)

In this paper we report our recent investigation about a there-stage hydrogen thermal compressor based on metal hydrides (HTC) in order to reach an overall compression ratio 28:1. The research was focused to: (i) elaborate hydride alloys with good storage capacity and higher thermodynamic characteristics acquired by tailoring of their properties; (ii) develop new technical solutions based on advanced materials, and fast mass and heat transfer for a hydrogen storage-compression reactor; (iii) built up a prototype of the HTC. Cyclic performance of the hydrogen compressor is studied following up the operating parameters: supply pressure, storage volumes, cold and hot fluid temperatures, cycle duration. The experiments show that the HTC can attain a high overall compression ratio 28:1, it will raise the hydrogen pressure from 2 bars to 56 bars, using three hydride compression stages working between 20 and 80°C. Cycling the compressor at a short absorption-desorption cycle, about 2 minutes, a satisfactory hydrogen flow rate was obtain 10 l/cycle, which ensures a hydrogen flow rate about 300l/hour using a small quantity of hydride alloy, about 360 g. To improve the efficiency and economics of compression process, HTC prototype based on metal hydrides must operate in conjunction with advanced hydrogen production technologies from renewable resources.
O‐Mannosylation of <i>Pichia pastoris</i> cellular and recombinant proteins (1998)

O-linked saccharides were released from a major cell wall glycoprotein and from cellular mannan-protein complexes obtained from Pichia pastoris cells. Analysis by a variety of chromatographic methods and exoglycosidase digestions revealed the presence of mannose and (alpha1-2)-linked dimer, trimer and tetramer saccharides of mannose. The recombinant kringle 1-4 domain of human plasminogen expressed in P. pastoris was subjected to hydrazinolysis of both O- and N-linked saccharides. Only a very small quantity of N-linked oligosaccharides was present on the Asn289 consensus site. The major products were O-linked (alpha1-2)-linked mannans, containing dimeric, trimeric, tetrameric and pentameric oligosaccharides with the major amount of the total saccharides being distributed approximately equally between the dimer and trimer components. These results show that short O-linked saccharides of mannose containing (alpha1-2) glycosidic linkages are present in P. pastoris cells and expressed proteins.
Matchsticks, Scramjets, and Black Holes: Numerical Simulation Faces Reality (2002)

The evolution of the science and art of numerical simulation of complex, complicated fluid flows has made enormous strides in the past 40 years. We have progressed from relatively simplified one-dimensional steady-state results to fully three-dimensional, time-dependent simulations including very complex physics. These advances have been driven by new computational hardware, new algorithms for solving the equations, and the real need for this technology. The broad range of applications that are possible are emphasized and some of what we can now do, what we have learned, and where we might go with this exciting technology in the future is described
Learning low-dimensional representations of shape data sets with diffeomorphic autoencoders (2019)

Auteur collectif : Alzheimer’s Disease Neuroimaging Initiative
Electron-beam lithography three-mark silicon automatic registration and its capabilities for process distortion compensation (1982)

Submicron e-beam lithography requires that successive levels be accurately registered to each previously processed pattern on a wafer. Using a Perkin–Elmer manufacturing electron-beam exposure system (MEBES)R, we estimate the ability of an automated three-mark registration system to correct for distortion created by typical silicon processing. The results show that this registration system is capable of tracking process-induced distortions typically to within 0.15 μm everywhere on 64-mm-diam silicon wafers.
Stability of a spatially inhomogeneous current-carrying plasma (1966)

The oscillation spectrum of a spatially inhomogeneous current-carrying plasma is analysed in conditions where all the plasma electrons are in motion relative to quiescent ions. Along with the density and temperature of the particles, the directed motion of the electrons, i.e. the plasma current, is considered to be inhomogeneous. The analysis shows that in certain cases this directed motion can be a cause of instability in a current-carrying plasma. The author establishes criteria for the instabilities of such a plasma in various frequency ranges and suggests ways of averting them. In particular, he draws attention to a dynamic method of suppressing instabilities by means of the current itself, in conditions where the plasma current is variable in time.