gebhart/patrepeval huggingface dataset:
Theoretical thermochemistry. 3. A modified procedure for ionization energies of AHn species (1987)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTheoretical thermochemistry. 3. A modified procedure for ionization energies of AHn speciesJohn A. Pople and Larry A. CurtissCite this: J. Phys. Chem. 1987, 91, 13, 3637–3639Publication Date (Print):June 1, 1987Publication History Published online1 May 2002Published inissue 1 June 1987https://pubs.acs.org/doi/10.1021/j100297a034https://doi.org/10.1021/j100297a034research-articleACS PublicationsRequest reuse permissionsArticle Views49Altmetric-Citations41LEARN 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
DESIGN OPTIMIZATION OF THE HEARTQUEST MAGLEV VAD (2001)

The HeartQuest VAD was designed by a mathematical optimization process, considering component physics, subsystem interactions, and system-level constraints and performance objectives. This innovative configuration required advanced magnetic suspension theory to predict static and dynamic forces and assure stability. In the course of our development, a versatile analytical solution to the boundary-value problems in magnetostatics was employed to determine the magnetic field produced by any combination of concentric magnetic rings. Fluid dynamic theory was used to create design equations for pumping performance prediction and motor design theory was used to create design equations for torque, speed, and power requirements. These equations, derived from first principles, computer simulation, and empirical data, were incorporated in spreadsheet format to facilitate design optimization. This optimization model enabled rapid evaluation of numerous design configurations. Intermediate analyses elucidated relationships between design parameters and performance, and helped the designers to balance tradeoffs, adjusting system constraints and objective weights. By combining localized optimization with a global scheme, the program furnished optimal dimensions, operating parameters and design parameters that were translated into component solid models and drawings. Overall objectives included (1) size and shape, (2) efficiency of pump motor, and levitation systems, (3) blood shear and exposure, and (4) rotordynamic stability. These equations were verified by finite Element Analysis (FEA) and Computational Fluid Dynamics (CFD) for accuracy. Prototype systems were built and tested and demonstrated performance results remarkably similar to those predicted. The design optimization model provides a powerful tool for the rapid design and development of a maglev blood pump.
Atomic oxygen effects on thin film space coatings studied by spectroscopic ellipsometry, atomic force microscopy, and laser light scattering (1992)

The University of Nebraska is currently evaluating Low Earth Orbit (LEO) simulation techniques as well as a variety of thin film protective coatings to withstand atomic oxygen (AO) degradation. Both oxygen plasma ashers and an electron cyclotron resonance (ECR) source are being used for LEO simulation. Thin film coatings are characterized by optical techniques including Variable Angle Spectroscopic Ellipsometry, Optical spectrophotometry, and laser light scatterometry. Atomic Force Microscopy (AFM) is also used to characterize surface morphology. Results on diamondlike carbon (DLC) films show that DLC degrades with simulated AO exposure at a rate comparable to Kapton polyimide. Since DLC is not as susceptible to environmental factors such as moisture absorption, it could potentially provide more accurate measurements of AO fluence on short space flights.
Versatile Auxiliary Classification and Regression With Generative Adversarial Networks (2021)

One of the most interesting challenges in Artificial Intelligence is to train conditional generators which are able to provide labeled adversarial samples drawn from a specific distribution. For a successful implementation of conditional generators, the created samples are constrained to a specific class. In this work, a new framework is presented to train a deep conditional generator by placing a classifier or regression model in parallel with the discriminator and back propagate the classification or regression error through the generator network. Special cases for binary classification, multi-class classification, and regression are studied. Experimental results on several data-sets are provided and the results are compared with similar state-of-the-art techniques. The main advantage of the method is that it is versatile and applicable to any variation of Generative Adversarial Network (GAN) implementation but also it is shown to obtain superior results compared to other methods. The mathematical proofs for the proposed scheme for both classification and regression are presented.
The Progression of Haze Formation in Rabbit Corneas Following Phototherapeutic Keratectomy (2013)

The initiation and spread of subepithelial haze begins shortly after reepithelialization. The haze then spreads from the loci of initiation and becomes more dense with time, maturing as early as 14 days after wounding. The improved temporal and spatial resolution provided by these data improve the current model of light-scattering haze formation in wounded corneas, which will improve the design of studies aimed at maintaining corneal clarity following acute injury or surgery.
GM-CSF–dependent pSTAT5 sensitivity is a feature with therapeutic potential in chronic myelomonocytic leukemia (2013)

Granulocyte-macrophage-colony-stimulating factor (GM-CSF) hypersensitivity is a hallmark of juvenile myelomonocytic leukemia (JMML) but has not been systematically shown in the related human disease chronic myelomonocytic leukemia (CMML). We find that primary CMML samples demonstrate GM-CSF-dependent hypersensitivity by hematopoietic colony formation assays and phospho-STAT5 (pSTAT5) flow cytometry compared with healthy donors. Among CMML patients, the pSTAT5 hypersensitive response positively correlated with high-risk disease, peripheral leukocytes, monocytes, and signaling-associated mutations. When compared with IL-3 and G-CSF, GM-CSF hypersensitivity was cytokine specific and thus a possible target for intervention in CMML. To explore this possibility, we treated primary CMML cells with KB003, a novel monoclonal anti-GM-CSF antibody, and JAK2 inhibitors. We found that an elevated proportion of immature GM-CSF receptor-α(R) subunit-expressing cells were present in the bone marrow myeloid compartment of CMML. In survival assays, we found that myeloid and monocytic progenitors were sensitive to GM-CSF signal inhibition. Our data indicate that a committed myeloid precursor expressing CD38 may represent the progenitor population with enhanced GM-CSF dependence in CMML, consistent with results in JMML. These preclinical data indicate that GM-CSF signaling inhibitors merit further investigation in CMML and that GM-CSFR expression on myeloid progenitors may be a biomarker for this therapy.
Accurate computation of mean power and astigmatism by means of Zernike polynominals (1998)

In the past few years considerable effort has been made to extract basic surface aberrations, such as mean surface power and surface astigmatism, from corneal surface-height data, e.g., as measured by videokeratoscopes. Two applications are corneal surgery and contact lens adjustment. Another primary application is the derivation of the mean power and astigmatism of a wave front, e.g., in interferometers and other wave-front sensors. Both surface and wave-front quantities can be computed by means of Zernike polynominals. One advantage of this computation is that Zernike polynominal expansion provides all the coefficients at once for calculating Seidel aberrations. We present accurate analytical formulas for computing the mean power and astigmatism of both surface and wave front from Zernike coefficients. Therefore, in general, those quantities are not a function of quadratic-order terms alone, as stated in M. Born E. Wolf , Principles of Optics (Pergamon, New York, 1975), Sec. 9.2, but include linear-order terms as well.
IL1B polymorphisms modulate cystic fibrosis lung disease (2020)

Rationale: Variability in pulmonary disease severity is found in patients with cystic fibrosis (CF) who have identical mutations in the CF transmembrane conductance regulator (CFTR) gene. We hypothesized that one factor accounting for heterogeneity in pulmonary disease severity is variation in the family of genes affecting the biology of interleukin-1 (IL-1), which impacts acquisition and maintenance of Pseudomonas aeruginosa infection in animal models of chronic infection. Methods: We genotyped 58 single nucleotide polymorphisms (SNPs) in the IL-1 gene cluster in 808 CF subjects from the University of North Carolina and Case Western Reserve University (UNC/CWRU) joint cohort. All were homozygous for ΔF508, and categories of “severe” (cases) or “mild” (control subjects) lung disease were defined by the lowest or highest quartile of forced expired volume (FEV1) for age in the CF population. After adjustment for age and gender, genotypic data were tested for association with lung disease severity. Odds ratios (ORs) comparing severe versus mild CF were also calculated for each genotype (with the homozygote major allele as the reference group) for all 58 SNPs. From these analyses, nine SNPs with a moderate effect size, OR ≤ 0.5or > 1.5, were selected for further testing. To replicate the case-control study results, we genotyped the same nine SNPs in a second population of CF parent-offspring trios (recruited from Children’s Hospital Boston), in which the offspring had similar pulmonary phenotypes. For the trio analysis, both family-based and population-based associations were performed. Results: SNPs rs1143634 and rs1143639 in the IL1B gene demonstrated a consistent association with lung disease severity categories (P < 0.10) and longitudinal analysis of lung disease severity (P < 0.10) in CF in both the case-control and family-based studies. In females, there was a consistent association (false discovery rate adjusted joint P-value < 0.06 for both SNPs) in both the analysis of lung disease severity in the UNC/CWRU cohort and the family-based analysis of affection status. Conclusion: Our findings suggest that IL1β is a clinically relevant modulator of CF lung disease.
Improved digital control scheme of synchronous rectification for resonant converter at light load conditions (2015)

This paper proposes a synchronous rectification (SR) control scheme for LLC resonant converter by digital controller. In the proposed SR control scheme, conduction detector circuit senses the drain-source voltage of secondary SR switches to detect the state of paralleled body diode. Digital controller tunes the turn-on and turn-off time of SR switches depending on conduction detector circuit output. Proposed SR control scheme can properly achieve SR at full load condition a simple implementation. Furthermore, it is capable of suppressing circulating current from output to input than conventional SR control scheme in light load condition. Thus, proposed SR control scheme can improve efficiency rather than conventional SR control scheme.
Observation of spatial variations in the resonance frequency of an optical resonator (1983)

The observation of a dependence of the measured resonance frequency of an optical cavity on the size and position of the detector is reported and attributed to the presence of higher-order transverse modes in the cavity. This effect, which is due to the nonorthogonality of these modes when averaged over a limited aperture or an inhomogeneous detector surface, has been carefully studied. The results of our calculations are in good agreement with experimental observations. Methods of minimizing such frequency-pulling effects are suggested.
Genital Prolapse Repair: Pubovaginal Sling Sacrospinous Ligament Suspension With Cadaveric Fascia (2000)

No AccessJournal of UrologyUrological Survey: Video Reviews: Female Urology/Laparoscopy1 Dec 2000Genital Prolapse Repair: Pubovaginal Sling Sacrospinous Ligament Suspension With Cadaveric Fascia Steven W. Siegel, andM.D. Ralph V. ClaymanM.D. Steven W. SiegelSteven W. Siegel More articles by this author , and Ralph V. ClaymanRalph V. Clayman More articles by this author View All Author Informationhttps://doi.org/10.1016/S0022-5347(05)66999-6AboutFull TextPDF ToolsAdd to favoritesDownload CitationsTrack CitationsPermissionsReprints ShareFacebookLinked InTwitterEmail "Genital Prolapse Repair: Pubovaginal Sling Sacrospinous Ligament Suspension With Cadaveric Fascia." The Journal of Urology, 164(6), p. 2200 © 2000 by American Urological Association, Inc.FiguresReferencesRelatedDetails Volume 164Issue 6December 2000Page: 2200 Advertisement Copyright & Permissions© 2000 by American Urological Association, Inc.MetricsAuthor Information Steven W. Siegel More articles by this author Ralph V. Clayman More articles by this author Expand All Advertisement PDF DownloadLoading ...
A Promising PET Tracer for Imaging of α7 Nicotinic Acetylcholine Receptors in the Brain: Design, Synthesis, and in Vivo Evaluation of a Dibenzothiophene-Based Radioligand (2015)

Changes in the expression of α₇ nicotinic acetylcholine receptors (α₇ nAChRs) in the human brain are widely assumed to be associated with neurological and neurooncological processes. Investigation of these receptors in vivo depends on the availability of imaging agents such as radioactively labelled ligands applicable in positron emission tomography (PET). We report on a series of new ligands for α₇ nAChRs designed by the combination of dibenzothiophene dioxide as a novel hydrogen bond acceptor functionality with diazabicyclononane as an established cationic center. To assess the structure-activity relationship (SAR) of this new basic structure, we further modified the cationic center systematically by introduction of three different piperazine-based scaffolds. Based on in vitro binding affinity and selectivity, assessed by radioligand displacement studies at different rat and human nAChR subtypes and at the structurally related human 5-HT₃ receptor, we selected the compound 7-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-fluorodibenzo-[b,d]thiophene 5,5-dioxide (10a) for radiolabeling and further evaluation in vivo. Radiosynthesis of [18F]10a was optimized and transferred to an automated module. Dynamic PET imaging studies with [18F]10a in piglets and a monkey demonstrated high uptake of radioactivity in the brain, followed by washout and target-region specific accumulation under baseline conditions. Kinetic analysis of [18F]10a in pig was performed using a two-tissue compartment model with arterial-derived input function. Our initial evaluation revealed that the dibenzothiophene-based PET radioligand [18F]10a ([18F]DBT-10) has high potential to provide clinically relevant information about the expression and availability of α₇ nAChR in the brain.
Non-invasive measurement of Valsalva-induced hemodynamic changes on a bathroom scale Ballistocardiograph (2008)

Unobtrusive and compact methods for monitoring time varying hemodynamic trends can allow physicians to monitor heart failure of outpatients at home. In this paper, the ballistocardiogram (BCG), measured on a modified commercial bathroom scale, is proposed as a viable option for this important need. The BCG measures the reaction force of the body to cardiac ejection of blood and is a non-invasive tool for evaluating cardiovascular function. The Valsalva maneuver was used to modulate the hemodynamics in a well documented manner, and BCG signals were acquired from 15 subjects. The electrocardiogram (ECG) was simultaneously obtained to measure the electrical to mechanical delay in ventricular contraction: the interval from the ECG R-wave peak to the BCG J-wave peak. This interval, called the RJ interval, decreased for all subjects following the release of intrathoracic strain compared to the resting value, suggesting that it is inversely correlated to cardiac contractility. The power spectrum magnitude of the BCGs showed that the high frequency content increased after release, also consistent with increased contractility (faster ejection). Additionally, J-wave amplitudes increased following release, suggesting that it is correlated to stroke volume. Since RJ interval computation required the ECG, BCG J-wave rise time was proposed as an alternative for evaluating cardiac contractility. The correlation between this rise time and RJ interval was high (R2=0.78).
Atypical stoichiometry for a 3D bimetallic oxalate-based long-range ordered magnet exhibiting high proton conductivity (2014)

The reproducible formation of a 3D oxalate based coordination compound of formula (NH4)5[Mn(II)2Cr(III)3(ox)9]·10H2O, with an unusual Mn(II)/Cr(III) ratio, is presented. The original topology of the anionic network leads to antiferromagnetic long-range ordering whereas its guests favour high humidity-dependent proton conductivity.
Iterative Learning Control for Coupled Temperature and Humidity in Buildings (2017)

This paper presents the design of a passivity-based iterative learning control (ILC) algorithm for coupled temperature and humidity in buildings. Since buildings are subjected to repeating diurnal patterns of disturbances, ILC algorithms can significantly improve performance. Moreover, since it is a feedforward control scheme, it can be used in conjunction with either model-free or model-based approaches such as the popular model predictive control techniques. However, model-based control is challenging for buildings because of the difficulty in identifying building thermohygrometric models. Furthermore, the control law should be designed in such a way as to address both temperature and humidity set points. We propose a model-free ILC design approach facilitated by the inherent passivity of building thermohygrometric dynamics. We first demonstrate that the building dynamics are strictly output-incremental passive. This property is then exploited to design ILC laws that guarantee convergence in the iteration domain, while being robust to model uncertainty. Since we wish to control both temperature and humidity using only one input - mass flow rate of supply air, convergence to a point is not guaranteed; instead convergence to an ellipse on the temperature-humidity plane is shown. The controller performance is demonstrated through simulation examples.
Comparative neuropathogenesis and neurovirulence of attenuated flaviviruses in non-human primates (2008)

Based on previous preclinical evaluation in mice and monkeys, the chimeric TBEV/DEN430 virus, carrying the prM and E protein genes from a highly virulent Far Eastern strain of tick-borne encephalitis virus (TBEV) on the backbone of a nonneuroinvasive dengue type 4 virus (DEN4), has been identified as a promising live attenuated virus vaccine candidate against disease caused by TBEV. However, prior to use of this vaccine candidate in humans, its neurovirulence in nonhuman primates needed to be evaluated. In the present study, we compared the neuropathogeneses of the chimeric TBEV/DEN430 virus; Langat virus (LGTV), a former live TBEV vaccine; and yellow fever 17D virus vaccine (YF 17D) in rhesus monkeys inoculated intracerebrally. TBEV/DEN430 and YF 17D demonstrated remarkably similar spatiotemporal profiles of virus replication and virus-associated histopathology in the central nervous system (CNS) that were high in cerebral hemispheres but progressively decreased toward the spinal cord. In contrast, the neurovirulence of LGTV exhibited the reverse profile, progressing from the site of inoculation toward the cerebellum and spinal cord. Analysis of the spatiotemporal distribution of viral antigens in the CNS of monkeys revealed a prominent neurotropism associated with all three attenuated viruses. Nevertheless, TBEV/DEN430 virus exhibited higher neurovirulence in monkeys than either LGTV or YF 17D, suggesting insufficient attenuation. These results provide insight into the neuropathogenesis associated with attenuated flaviviruses that may guide the design of safe vaccines.
Isoform-specific interaction of the alpha1A subunits of brain Ca2+ channels with the presynaptic proteins syntaxin and SNAP-25. (1996)

Presynaptic Ca2+ channels are crucial elements in neuronal excitation-secretion coupling. In addition to mediating Ca2+ entry to initiate transmitter release, they are thought to interact directly with proteins of the synaptic vesicle docking/fusion machinery. Here we report isoform-specific, stoichiometric interaction of the BI and rbA isoforms of the alpha1A subunit of P/Q-type Ca2+ channels with the presynaptic membrane proteins syntaxin and SNAP-25 in vitro and in rat brain membranes. The BI isoform binds to both proteins, while only interaction with SNAP-25 can be detected in vitro for the rbA isoform. The synaptic protein interaction ("synprint") site involves two adjacent segments of the intracellular loop connecting domains II and III between amino acid residues 722 and 1036 of the BI sequence. This interaction is competitively blocked by the corresponding region of the N-type Ca2+ channel, indicating that these two channels bind to overlapping regions of syntaxin and SNAP-25. Our results provide a molecular basis for a physical link between Ca2+ influx into nerve terminals and subsequent exocytosis of neurotransmitters at synapses that have presynaptic Ca2+ channels containing alpha1A subunits.
The Fragile X Protein binds mRNA s involved in cancer progression and modulates metastasis formation (2014)

The authors of the above research article regret two oversights. Second, the control image for Vimentin shown in Fig 4B should be replaced by the one presented here. Figure 4B. The results and conclusions of the article remain unchanged.