gebhart/patrepeval huggingface dataset:
Proton Transport in Triflic Acid Hydrates Studied via Path Integral Car−Parrinello Molecular Dynamics (2009)

The mono-, di-, and tetrahydrates of trifluoromethanesulfonic acid, which contain characteristic H(3)O(+), H(5)O(2)(+), and H(9)O(4)(+) structures, provide model systems for understanding proton transport in materials with high perfluorosulfonic acid density such as perfluorosulfonic acid membranes commonly employed in hydrogen fuel cells. Ab initio molecular dynamics simulations indicate that protons in these solids are predisposed to transfer to the water most strongly bound to sulfonate groups via a Grotthuss-type mechanism, but quickly return to the most solvated defect structure either due to the lack of a nearby species to stabilize the new defect or a preference for the proton to be maximally hydrated. Path integral molecular dynamics of the mono- and dihydrate reveal significant quantum effects that facilitate proton transfer to the "presolvated" water or SO(3)(-) in the first solvation shell and increase the Zundel character of all the defects. These trends are quantified in free energy profiles for each bonding environment. Hydrogen bonding criteria for HOH-OH(2) and HOH-O(3)S are extracted from the two-dimensional potential of mean force. The quantum radial distribution function, radius of gyration, and root-mean-square displacement position correlation function show that the protonic charge is distributed over two or more water molecules. Metastable structural defects with one excess proton shared between two sulfonate groups and another Zundel or Eigen type cation defect are found for the mono- and dihydrate but not for the tetrahydrate crystal. Results for the tetrahydrate native crystal exhibit minor differences at 210 and 250 K. IR spectra are calculated for all native and stable defect structures. Graph theory techniques are used to characterize the chain lengths and ring sizes in the hydrogen bond network. Low conductivities when limited water is present may be attributable to trapping of protons between SO(3)(-) groups and the increased probability that protons transfer to waters bridging two different sulfonate groups.
Electronic and optical properties of nanocrystalline WO<sub>3</sub>thin films studied by optical spectroscopy and density functional calculations (2013)

The optical and electronic properties of nanocrystalline WO3 thin films prepared by reactive dc magnetron sputtering at different total pressures (Ptot) were studied by optical spectroscopy and density functional theory (DFT) calculations. Monoclinic films prepared at low Ptot show absorption in the near infrared due to polarons, which is attributed to a strained film structure. Analysis of the optical data yields band-gap energies Eg ≈ 3.1 eV, which increase with increasing Ptot by 0.1 eV, and correlate with the structural modifications of the films. The electronic structures of triclinic δ-WO3, and monoclinic γ- and ε-WO3 were calculated using the Green function with screened Coulomb interaction (GW approach), and the local density approximation. The δ-WO3 and γ-WO3 phases are found to have very similar electronic properties, with weak dispersion of the valence and conduction bands, consistent with a direct band-gap. Analysis of the joint density of states shows that the optical absorption around the band edge is composed of contributions from forbidden transitions (>3 eV) and allowed transitions (>3.8 eV). The calculations show that Eg in ε-WO3 is higher than in the δ-WO3 and γ-WO3 phases, which provides an explanation for the Ptot dependence of the optical data.
Integrated reservoir characterization of a fractured basement reservoir (2011)

It is a considerable challenge to effectively develop hetero-geneous fractured reservoirs in complex structural settings. Here we present a case study of a fractured basement reservoir hosted in structural highs formed by fault-controlled blocks in a rift setting. A wide range of data were available to study the current reservoir. The seismic database includes a wide-azimuth data set, as well as an extensive set of derived attributes and structural interpretation. Azimuthal anisotropy, automatic fault detection, and rms amplitude proved to be most useful in the description of the fracture network, the fracture corridors, and a thin, permeable sandstone layer above the basement, respectively. An additional advantage of the wide-azimuth survey was that it provided an optimum illumination in complex structural settings such as the current case. To complete this large-scale data set, conventional log suites and image logs were acquired in most of the wells. Borehole image-log studies were conducted to interpret and recognize fracture features. Regarding dynamic information, flowmeter logs were acquired in addition to the production history. The main objectives of this integrated study were the creation of a conceptual model for well planning and to constrain the static and dynamic properties of the reservoir model.
Lymphokine Production by B Cells from Normal and HIV‐Infected Individuals (1992)

Interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-alpha) are both secreted by in vivo-activated normal B cells and by in vivo-activated B cells from patients with polyclonal B-cell activation, including individuals infected with the human immunodeficiency virus (HIV). Furthermore, IL-6 and TNF-alpha are involved in autocrine and paracrine regulation of human B-cell differentiation. Following in vitro stimulation of normal B cells with Staphylococcus aureus Cowan strain I and IL-2, there is a rapid but brief increase in supernatant levels of TNF-alpha. There is also an initial increase followed by a subsequent and more sustained increase in IL-6 production. The secondary rise in IL-6 production is dependent upon the prior production of TNF-alpha. There is no significant difference in IL-6 and TNF-alpha secretion by CD5 positive versus CD5 negative tonsillar B cells. Ig production by normal in vitro-activated B cells and freshly isolated B cells from patients with hypergammaglobulinemia is largely dependent upon TNF-alpha and IL-6 production. As another measure of B-cell TNF-alpha and IL-6 production, freshly isolated B cells from HIV-infected individuals induce virus production by chronically HIV-infected cells in which HIV production is known to be triggered by a variety of cytokines. By contrast, freshly isolated B cells from normal controls fail to increase HIV production unless they are stimulated in vitro. Thus, the spontaneous production of IL-6 and TNF-alpha by B cells from individuals infected with HIV may contribute to viral expression as well as to the hypergammaglobulinemia often associated with HIV infection.
Social interaction patterns for learning in serious games (2014)

Serious games usually refer to games used for purpose other than entertainment. Designing serious games for learning proves to be a very difficult task, as it requires knowledge not only about the content, but also about game design and pedagogy. Therefore there have been efforts to create collections of design patterns that help to create initial designs or improve existing ones. However those collections neglect the role of social interactions within games. But integrating social interaction as a core mechanic of a serious game can massively improve the game along several dimensions. In this paper we want to show how social interactions can enrich serious games. Furthermore we describe several patterns with concrete examples on how to achieve this exactly.
Activation of the JAK1-STAT5 pathway by binding of the Friend virus gp55 glycoprotein to the erythropoietin receptor. (1997)

Friend spleen focus forming-virus (F-SFFV) induces acute erythroleukemia in susceptible mice. Initiation of the erythroleukemia is due to binding of the env-related glycoprotein gp55 encoded by F-SFFV to the erythropoietin receptor (EPOR). The gp55/EPOR interaction induces prolonged and growth factor independent proliferation in a factor-dependent cell line. In erythropoietin (EPO) signaling, the JAK2/STAT5 pathway was shown to be activated downstream of the EPOR to transmit the signal to the cells. To determine members of the JAK family and the STAT transcription factor family involved in the gp55/EPOR signaling, we examined tyrosine phosphorylation of JAKs and STATs in F-SFFV-infected erythroid or erythroleukemic cells. JAK1 and STAT5 were constitutively tyrosine-phosphorylated but the DNA binding activity of STAT5 was not induced without EPO stimulation in erythroblastoid cells from spleens of F-SFFV-infected mice and erythroleukemia cell lines derived from gp55-transgenic mice. These results indicate that JAK1 is involved in the gp55/EPOR signaling but STAT5 is not playing an essential role in the growth of those erythroid cells.
Isolated Bilateral Anterior Inferior Cerebellar Artery Infarction (2010)

Our website uses cookies to enhance your experience. By continuing to use our site, or clicking "Continue," you are agreeing to our Cookie Policy | Continue
A disease‐specific quality of life instrument for non‐alcoholic fatty liver disease and non‐alcoholic steatohepatitis: <scp>CLDQ</scp>‐<scp>NAFLD</scp> (2017)

The Chronic Liver Disease Questionnaire-Non-Alcoholic Fatty Liver Disease version is a disease-specific health-related quality of life instrument developed and validated using an established methodology and useful for clinical trials of non-alcoholic fatty liver disease.
Enhanced Backscatter with a Structured Laser Pulse (1977)

A large-amplitude backscatter instability, consistent with Brillouin, occurs when a prepulse plasma is formed ahead of a high-irradiance (${10}^{15}$-${10}^{16}$ W/${\mathrm{cm}}^{2}$) Nd-laser pulse. These results indicate that temporally structured laser pulses suggested for laser pellet implosion may also encounter large backscatter.
ChemInform Abstract: SYNTHESIS OF THE 2‐AZA‐7‐OXATRICYCLO(4.3.2.04,8)UNDECANE: NUCLEUS OF SOME GELSEMIUM ALKALOIDS (1979)

Abstract Aus dem Tetrahydrophthalsäureanhydrid (I) erhält man nach Hydrolyse zu (II) und Hydroxylierung die Diole (IIIa) und (IIIb),die zum Lacton (IVa) cyclisiert und zu (IVb) reduziert werden.
What Are We Missing? False-Negative Cancers at Multiparametric MR Imaging of the Prostate (2017)

Purpose To characterize clinically important prostate cancers missed at multiparametric (MP) magnetic resonance (MR) imaging. Materials and Methods The local institutional review board approved this HIPAA-compliant retrospective single-center study, which included 100 consecutive patients who had undergone MP MR imaging and subsequent radical prostatectomy. A genitourinary pathologist blinded to MP MR findings outlined prostate cancers on whole-mount pathology slices. Two readers correlated mapped lesions with reports of prospectively read MP MR images. Readers were blinded to histopathology results during prospective reading. At histopathologic examination, 80 clinically unimportant lesions (<5 mm; Gleason score, 3+3) were excluded. The same two readers, who were not blinded to histopathologic findings, retrospectively reviewed cancers missed at MP MR imaging and assigned a Prostate Imaging Reporting and Data System (PI-RADS) version 2 score to better understand false-negative lesion characteristics. Descriptive statistics were used to define patient characteristics, including age, prostate-specific antigen (PSA) level, PSA density, race, digital rectal examination results, and biopsy results before MR imaging. Student t test was used to determine any demographic differences between patients with false-negative MP MR imaging findings and those with correct prospective identification of all lesions. Results Of the 162 lesions, 136 (84%) were correctly identified with MP MR imaging. Size of eight lesions was underestimated. Among the 26 (16%) lesions missed at MP MR imaging, Gleason score was 3+4 in 17 (65%), 4+3 in one (4%), 4+4 in seven (27%), and 4+5 in one (4%). Retrospective PI-RADS version 2 scores were assigned (PI-RADS 1, n = 8; PI-RADS 2, n = 7; PI-RADS 3, n = 6; and PI-RADS 4, n = 5). On a per-patient basis, MP MR imaging depicted clinically important prostate cancer in 99 of 100 patients. At least one clinically important tumor was missed in 26 (26%) patients, and lesion size was underestimated in eight (8%). Conclusion Clinically important lesions can be missed or their size can be underestimated at MP MR imaging. Of missed lesions, 58% were not seen or were characterized as benign findings at second-look analysis. Recognition of the limitations of MP MR imaging is important, and new approaches to reduce this false-negative rate are needed. <sup>©</sup> RSNA, 2017 Online supplemental material is available for this article.
Involvement of calcium in retinal pigment epithelial cell proliferationand pigmentation (1998)

Calcium signalling plays a role in the co-regulation of RPE cells by vitreous substrate and platelet mitogens. Drugs that lower intracellular calcium or inhibit calmodulin may offer an additional approach to preventing the hyperproliferation of RPE cells in PVR.
The impact of laterally coupled grating microstructure on effective coupling coefficients (2010)

Lithographic fabrication may be used to define laterally coupled gratings of high refractive index contrast on waveguide ridges, eliminating the need for regrowth steps in such distributed feedback lasers. These may be made more amenable to fabrication by employing higher-order gratings. Reliable exploration of the laser design space requires that the radiating partial waves be accurately incorporated in numerical simulations. We modify the coupled-mode approach to fully consider the two-dimensional cross section, analyzing rectangular, sinusoidal, triangular and trapezoidal grating shapes. Effective coupling coefficients are determined for grating orders from first to third. We show that, by tailoring the grating microstructure, effective coupling coefficients up to double that of a 0.5 duty cycle rectangular grating can be achieved. The actual grating microstructure of an as-fabricated grating was analyzed and its effective coupling coefficient predicted as [Formula: see text]. This was found to be in excellent agreement with the value extracted from the amplified spontaneous emission spectrum, [Formula: see text].
Autoimmune Pancreatitis: Pathological, Clinical, and Immunological Features (2003)

As the ability to diagnose autoimmune pancreatitis on the basis of clinical, imaging, and laboratory findings improves, it seems likely that fewer patients with this diagnosis will undergo resection. Thus, there is a need to accumulate and study additional retrospective series of patients undergoing resection because of mass-forming chronic pancreatitis.
THE ATOM TRANSFER RADICAL POLYMERIZATION OF LAURYL ACRYLATE (2001)

Abstract The atom transfer radical polymerization (ATRP) of dodecyl (or lauryl) acrylate (LA) has been studied and optimized to yield polymers with predetermined molecular weights and low polydispersities. The poor solubility of the catalyst complex formed with linear tridentate amines and Cu(I)Br in both LA and the non-polar solvents required for the formed poly(lauryl acrylate) (pLA) resulted in poor control of the polymer molecular weights and high polydispersity. The use of a soluble catalyst formed by complexing copper with 4,4′-di(5-nonyl)-2,2′-bipyridine, improved both molecular weight control and polydispersities. The experimental conditions were further optimized by adding deactivating Cu(II) complex to the initial reaction mixture to compensate qualitatively for differences in the rate of termination relative to other acrylates. Keywords: Controlled/living radical polymerizationAtom transfer radical polymerizationATRPLigandsLauryl acrylate ACKNOWLEDGMENTS We would like to thank the industrial sponsors of the ATRP Consortium at CMU for their financial support. We are also grateful to Dr. Kelly Davis for helpful discussions.
ChemInform Abstract: A New Route to 3‐Amino Sugars. A Concise Synthesis of L‐Daunosamine and D‐Ristosamine Derivatives. (1998)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Exposición del Sr. Enrique V. Iglesias, Secretario Ejecutivo de la CEPAL, ante la segunda sesión regular del ECOSOC en Ginebra, 7 al 30 de julio de 1982 (1982)

In carrying out iny traditional duty of reporting to this Council on the recent economic evolution of Latin America, I would like to make some remarks on the international economic situation and its implications for the region, as well as on the policy options available to the Latin American countries. In view of the responsibilities incumbent on thisCouncil, the highest economic body of the Organization, and of the mobilization of the General Assembly with a view to holding a new round of global economic negotiations, it is particularly pertinent to report to you on the economic prospects of a region as our Secretariat sees them.The economic policies of the region have become increasingly linked with the international scene.Our countries should therefore be vitally interested in the course and the outcome of this indispensable effort of the United Nations at a particularly critical moment in economic history.I. THE CURRENT INTERNATIONAL ECONOMIC SITUATION: CRISIS, INSECURITY AI^ID CONFUSION The general characteristics of the current interniational economic situation are well known; they have already been described at this session of the Council.The crisis is a serious and profound one which simply cannot be dismissed as a mere inflection of a conjunctural nature.The stagnation of economic activity has continued for a much longer period than was the case during previous recessions in almost all the industrial countries.Unemployment is the highest it has been since the Great Depression, with estimates showing around 30 million uneii5)loyed in the OECD countries.Recently, certain favourable indicators have shown that inflation has gone down in the United States and during the last quarter there have been signs of a slight but encouraging recovery in that country's gross product.These indicators, however, are not duplicated in other industrial centres.Thus, the May communique from the OECD Ministers points out that we may expect soon to see a moderate expansion of economic activity in the OECD zone, possibly including an improvement in the emplojnatient situation during the coming year, but that this expansion will not be sufficient to bring about a rapid drop in the present high level of unemployment./The large
Three Rigid Frames Walking Planetary Rovers: a New Concept (1999)

Abstract The rovers designed for planetary exploration and exploitation are usually wheeled vehicles and the many proposals advocating the use of walking machines never materialised in actual applications. This is mainly due to the complexity and lower reliability of many prototypes and demonstrators. A twin rigid-frames layout allows to simplify the machine without sacrificing performances, at least in the case of very slow rovers. In the present paper a slightly more complex configuration, obtained by adding a third frame to what is essentially a twin-frame machine, is proposed with the aim of extending the applicability of rigid-frames walking machines to applications requiring higher velocities.
Bulletin épigraphique (2014)

Dubois Laurent, Rousset Denis, Sève Michel, Minon Sophie, Feyel Christophe, Fröhlich Pierre, Hamon Patrice, Knoepfler Denis, Lhôte Eric, Avram Alexandre, Decourt Jean-Claude, Helly Bruno, Hatzopoulos Miltiade, Feissel Denis, Gatier Pierre-Louis, Kayser François, Dobias-Lalou Catherine. Bulletin épigraphique. In: Revue des Études Grecques, tome 127, fascicule 2, Juillet-décembre 2014. pp. 397-602.
A tutorial on compensation tables (1979)

The generation of computer-shaded pictures requires that a program calculate intensities for each pixel. These intensities are then viewed on a monitor or transferred to film. It is desirable that the intensity values on the monitor or the reflectance values on the film have a linear relationship with the original calculated intensities both to give the user fine control over the appearance of the object and to do anti-aliasing properly. However, after the calculated intensity values are sent to the DAC'c some nonlinear distortions occur both in the CRT and on film. We can compensate for this by adjusting the intensity number just before digital-to-analog conversion. This compensation can be accomplished by a table lookup using the intensity as an index into the table and the corresponding value as the new intensity. Fortunately, most hardware manufacturers have made table lookup features part of their equipment. However, the entries in the table must still be generated. The methods for doing this are not well known in the computer graphics community. This paper presents an algorithm for generating a compensation table.
Improvement of signal-to-noise ratio of a write-once optical disk (1986)

To improve the SNR of a plastic optical disk, on- land recording has been examined.1 By using on- land recording, additional advantages are confirmed, such as the decrease of crosstalk signal level from adjacent track and irrelavance of the groove depth to the signal level. The latter advantage makes groove depth optimization easy.
MODEL STUDIES OF BONDED ORGANOMETALLIC SYSTEMS. Mn-C5H9 AND Mn-C2H4 (1976)

An improved understanding of the structural and energetic aspects of transition metal-carbon bonds is essential to progress in surface chemistry, catalysis, and organometallic chemistry.-Asa possible route to this goal, ab initio electronic structure theory has been applied to two very simple systems, Mn-c 2 H 2 and Mn-C 2 H 4 .Single configuration self-consistent-field theory was used in conjunction with a better than double zeta basis set of contracted gaussian functions.For the manganese-acetylene system, potential energy curves were predicted for electronic states arising from Mn+(4s3d 5 ) . 2 5 5 6 1 + and Mn (4s 3d , 4s4p3d , and 4s3d ) interacting with the E ground state g of c 2 H 2 .For the first three dissociation limits, the present results are consistent with those based on the earlier studied Be-C 2 H 2 model system.The latter model assumes that metal 3d orbitals play a relatively passive role in the bonding.The 4s3d 6 dissociation limit has no counterpart for the Be-C 2 H 2 system, and the predicted potential energy curves are very sensitive to basis set.As one approaches the Hartree-Fock limit the latter curves become quite flat.6 The lowest of these, the .. 2 state, appears unlikely to be bound by more than 10 kcal/mole.Thus it seetns that additional ligands (e.g.CO) will play an essential role in the binding of unsaturated hydrocarbons to the Mn atom.Alternatively the building up of a cluster or surface of Mn atoms might serve to provide a more appealing resting place for acetylene.Less detailed calculations on Mn-C 2 H 4 suggest that the same interpretation is applicable.