gebhart/patrepeval huggingface dataset:
Cross‐sex shifts in two brain imaging phenotypes and their relation to polygenic scores for same‐sex sexual behavior: A study of 18,645 individuals from the UK Biobank (2021)

Genetic and hormonal factors have been suggested to influence human sexual orientation. Previous studied proposed brain differences related to sexual orientation and that these follow cross-sex shifted patterns. However, the neurobiological correlates of sexual orientation and how genetic factors relate to brain structural variation remains largely unexplored. Using the largest neuroimaging-genetics dataset available on same-sex sexual behavior (SSB) (n = 18,645), we employed a data-driven multivariate classification algorithm (PLS) on magnetic resonance imaging data from two imaging modalities to extract brain covariance patterns related to sex. Through analyses of latent variables, we tested for SSB-related cross-sex shifts in such patterns. Using genotype data, polygenic scores reflecting the genetic predisposition for SSB were computed and tested for associations with neuroimaging outcomes. Patterns important for classifying between males and females were less pronounced in non-heterosexuals. Predominantly in non-heterosexual females, multivariate brain patterns as represented by latent variables were shifted toward the opposite sex. Complementary univariate analyses revealed region specific SSB-related differences in both males and females. Polygenic scores for SSB were associated with volume of lateral occipital and temporo-occipital cortices. The present large-scale study demonstrates multivariate neuroanatomical correlates of SSB, and tentatively suggests that genetic factors related to SSB may contribute to structural variation in certain brain structures. These findings support a neurobiological basis to the differences in human sexuality.
The Neonatal Fc Receptor Is Elevated in Monocyte-Derived Immune Cells in Pancreatic Cancer (2022)

The neonatal Fc receptor (FcRn) is responsible for recycling of IgG antibodies and albumin throughout the body. This mechanism has been exploited for pharmaceutic delivery across an array of diseases to either enhance or diminish this function. Monoclonal antibodies and albumin-bound nanoparticles are examples of FcRn-dependent anti-cancer therapeutics. Despite its importance in drug delivery, little is known about FcRn expression in circulating immune cells. Through time-of-flight mass cytometry (CyTOF) we were able to characterize FcRn expression in peripheral blood mononuclear cell (PBMC) populations of pancreatic ductal adenocarcinoma (PDAC) patients and non-cancer donors. Furthermore, we were able to replicate these findings in an orthotopic murine model of PDAC. Altogether, we found that in both patients and mice with PDAC, FcRn was elevated in migratory and resident classical dendritic cell type 2 (cDC2) as well as monocytic and granulocytic myeloid-derived suppressor cell (MDSC) populations compared to tumor-free controls. Furthermore, PBMCs from PDAC patients had elevated monocyte, dendritic cells and MDSCs relative to non-cancer donor PBMCs. Future investigations into FcRn activity may further elucidate possible mechanisms of poor efficacy of antibody immunotherapies in patients with PDAC.
Comprehensive Finite Element Modeling for Pulsed Magnet Design Using COMSOL and Java (2020)

Ultra-high field pulsed magnets must simultaneously satisfy a number of often competing electrical, electromagnetic, structural, thermal, and economic constraints. To produce the highest field possible, nondestructive pulsed magnets are designed to operate at the limits of mechanical strength and electrical capacity of conductors. In this presentation, we will introduce a coupled multi-engineering finite element method (FEM) implemented in COMSOL Multiphysics package for detailed and accurate calculations of the mechanical, thermal and electromagnetic performances in entire longitudinal cross-section of the pulsed magnet. These transient FEM simulations are performed for entire pulse length and take into account the temperature and magnetic field dependences of electrical conductivity and mechanical properties of all the materials to provide better accuracy. Application Programming Interface (API) feature of COMSOL was used to automate repetitive modeling steps to significantly reduce the necessary time to create FEM models for a pulsed magnet which may consists up to thousands of turns and insulation/reinforcement layers. Computational results for our signature 100T non-destructive pulsed magnet will be presented.
Numerical simulation of Gaussian chains near hard surfaces (2010)

We present a coarse grain representation for Gaussian chains in the presence of hard surfaces. Whereas a Gaussian chain in the bulk can be represented by a bead-spring model with a quadratic potential between adjacent beads, the presence of a surface reduces the number of allowed chain configurations and modifies the effective potential between the beads. We derive the corrected potentials for several surface geometries: a single wall, two parallel walls (slit), and a spherical or cylindrical object (nanoparticle). Those potentials can be used in any model that includes a Gaussian chain, regardless of the simulation method. As an illustration, we consider a coarse grain model of a polymeric melt and, using Monte Carlo simulations, we compute the density profiles for (i) a melt confined in a slit and (ii) a melt in the vicinity of a nanoparticle. The case of a polymeric solution confined within a slit is also addressed, and the proposed approach is shown to yield results in qualitative agreement with those obtained with field-theoretic simulations.
SUN-003 Targeting Androgen Receptor-CXCR7-MARK Signaling Axis in CRPC (2019)

Prostate cancer (PC) is the most commonly diagnosed cancer among males in the US. The standard of care for patients with metastatic PC is based on androgen-depletion therapy (ADT), including a first-line chemical castration, and a second-line, treatment with high-affinity antagonists for androgen receptor (AR), e.g. enzalutamide (Enz). Unfortunately, most of the patients eventually relapse with castration-resistant metastatic PC (CRPC). Further, use of Enz is thought to cause a growing concern for prevalence of highly aggressive AR-independent CRPC. Therefore, the molecular mechanisms of Enz-resistant (EnzR) CRPC are need to be understood urgently in order to identify novel targeted therapies for deadly CRPC. To approach Enz-resistant CRPC we have created EnzRPC cell lines by passaging cells in the presence of sub-lethal doses of Enz for over 6 months Analyzing the global profiles of expressed genes, we determined chemokine receptor CXCR7 (also known as atypical chemokine receptor ACKR3) as one of the top upregulated genes in EnzRcells. Utilizing molecular techniques we found that AR directly binds to promotor and enhancer regions of CXCR7 gene and inhibits its expression. EnzR PC cells depends on CXCR7-activated signaling in order to survive anti-AR therapy in vitroand in vivowhen injected in immuno-deficient mice. Moreover, we found that patients with metastatic CRPC increase CXCR7 expression comparing to localized PC tumors, and patients who relapse on second-line ADT further increase CXCR7 expression. CXCR7 is a 7-transmembrane (7TM) receptor, which when activated recruits ARRB2, a cytoplasmic scaffold protein. This leads to receptor internalization and activation of MAPK kinases. Normally, CXCR7 is activated by CXCL12 (SDF1a), CXCL11 (ITAC), and MIF. However, we observed that in EnzR PC cells upregulated CXCR7 signaling is constitutive, causing sustained ERK activation. Thus, when we combined MAPKK small molecule inhibitor with enzalutamide we observed superior therapeutic efficacy for CRPC in pre-clinical studies. Besides MAPK, CXCR7 can cross-activate other pro-survival signaling cascades, such as Akt and EGFR. Moreover, GSEA analysis reveals that EnzRPC cells further reduce AR signaling upon CXCR7 knock down suggesting another level of communication between CXCR7 and AR. Currently, CXCR7 lacks known potent antagonists, which would entirely cancel downstream signal activation, thereby, we are searching for novel small molecule CXCR7 inhibitors. Taken together our data suggest that AR and CXCR7 form a multilevel signaling axis, important for EnzR CRPC progression. Currently, we are focusing on further understanding the molecular mechanisms of CXCR7 tumor-promoting activity. In parallel we are developing novel anti-CXCR7 therapies that will be translatable into the clinics as a targeted therapy for patients with deadly CRPC.
Engineering the Substitution Position of Diphenylphosphine Oxide at Carbazole for Thermal Stability and High External Quantum Efficiency Above 30% in Blue Phosphorescent Organic Light‐Emitting Diodes (2014)

A carbazole derivative substituted with two diphenylphosphine oxide groups at asymmetric positions of carbazole is synthesized and the substitution position is correlated with the photophysical properties and device performances of blue phosphorescent organic light‐emitting diodes. The carbazole type host with substituents at 2‐ and 5‐ positions of carbazole shows the merits of low driving voltage of 2‐position substitution, and high thermal stability and high quantum efficiency of 5‐ position substitution. Therefore, the carbazole type host exhibits excellent thermal and morphological stability up to 140 °C and record high quantum efficiency of 31.4% and power efficiency of 53.1 lm W ‐1 without any outcoupling enhancement and p‐ or n‐doped charge transport layer in blue phosphorescent organic light‐emitting diodes.
Proteomic analysis reveals platelet factor 4 and beta‐thromboglobulin as prognostic markers in severe acute respiratory syndrome (2012)

Previously, we reported that proteomic fingerprints were present in sera of patients with severe acute respiratory syndrome (SARS), and could separate patients into subgroups with different prognoses. In the present study, we examined the prognostic values of the SARS-associated proteomic features by biostatistical analysis, and deciphered the identities of those with prognostic values. Data of 20 SARS-associated serum proteomic features and ten serological variables from 38 SARS adult patients before treatment were subjected to multivariate logistic regression. Proteomic features of m/z 6634, m/z 7769, m/z 8635, and m/z 8865 were identified as independent prognostic markers. After purification by cation-exchange chromatography and gel electrophoresis, proteomic features of m/z 7769 and m/z 8865 were found to be platelet factor 4 (PF4) and beta-thromboglobulin (beta-TG) by tandem mass spectrometry, respectively. The associations of decreased serum PF4 and increased serum beta-TG levels with poor prognosis were confirmed by Western blot. Previous studies suggest that PF4 and beta-TG are involved in the pathogenesis of acute respiratory distress syndrome (ARDS) in a negative and positive way, respectively. Our results suggest that PF4 and beta-TG may also play similar roles in the development of ARDS in SARS patients.
Single and Multilevel Lumbar Total Disc Replacement Adjacent to L5-S1 ALIF (Lumbar Hybrid): 6 Years of Follow-up (2021)

Multilevel TDR above an L5-S1 ALIF (hybrid procedure) preserves ROM at the individual TDR levels and does not reduce the fusion rate of the L5-S1 fused level. Most significantly, the nonoperative adjacent level maintains its preoperative ROM at 2-6 years postoperatively.
Optimum Aerodynamic Design of Centrifugal Compressor Impeller Using an Inverse Method Based on Meridional Viscous Flow Analysis (2017)

An optimum aerodynamic design method for centrifugal compressor impeller has been developed. The present optimum design method is using a genetic algorithm (GA) and a two-dimensional inverse blade design method based on a meridional viscous flow analysis. In the meridional viscous flow analysis, an axisymmetric viscous flow is numerically analyzed on a two-dimensional meridional grid to determine the flow distribution around the impeller. Full and splitter blade effects to the flow field are successfully evaluated in the meridional viscous flow analysis by a blade force modeling. In the inverse blade design procedure, blade loading distribution is given as the design variable. In the optimization procedure, the total pressure rise and adiabatic efficiency obtained from the meridional viscous flow analysis are employed as objective functions. Aerodynamic performance and three-dimensional flow fields in the Pareto-optimum design and conventional design cases have been investigated by three-dimensional Reynolds averaged Navier-Stokes (3D-RANS) and experimental analyses. The analyses results show performance improvements and suppressions of flow separations on the suction surfaces in the optimum design cases. Therefore, the present aerodynamic optimization using the inverse method based on the meridional viscous flow analysis is successfully achieved.
Supplementary Table 4 from RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer (2023)

&lt;p&gt;PDF file, 56K, Percent mouse weight change after vehicle treatment. ErbB2 mammary tumor transgenic mice were treated with Vehicle (20% HPCD) as described under Materials and Methods. Final percent change in weight was calculated for each mouse using the following formula; (Wf-W0)/W0*100; where W0= Initial weight (at the beginning of treatment) and Wf= Final weight (at the end of treatment).&lt;/p&gt;
Supplementary Movie 11 from Ovarian Cancer Spheroids Use Myosin-Generated Force to Clear the Mesothelium (2023)

&lt;p&gt;File Type: .mov; File Size: 2 MB.&lt;/p&gt;
The evolution of H5N1 influenza viruses in ducks in southern China (2004)

The pathogenicity of avian H5N1 influenza viruses to mammals has been evolving since the mid-1980s. Here, we demonstrate that H5N1 influenza viruses, isolated from apparently healthy domestic ducks in mainland China from 1999 through 2002, were becoming progressively more pathogenic for mammals, and we present a hypothesis explaining the mechanism of this evolutionary direction. Twenty-one viruses isolated from apparently healthy ducks in southern China from 1999 through 2002 were confirmed to be H5N1 subtype influenza A viruses. These isolates are antigenically similar to A/Goose/Guangdong/1/96 (H5N1) virus, which was the source of the 1997 Hong Kong "bird flu" hemagglutinin gene, and all are highly pathogenic in chickens. The viruses form four pathotypes on the basis of their replication and lethality in mice. There is a clear temporal pattern in the progressively increasing pathogenicity of these isolates in the mammalian model. Five of six H5N1 isolates tested replicated in inoculated ducks and were shed from trachea or cloaca, but none caused disease signs or death. Phylogenetic analysis of the full genome indicated that most of the viruses are reassortants containing the A/Goose/Guangdong/1/96-like hemagglutinin gene and the other genes from unknown Eurasian avian influenza viruses. This study is a characterization of the H5N1 avian influenza viruses recently circulating in ducks in mainland China. Our findings suggest that immediate action is needed to prevent the transmission of highly pathogenic avian influenza viruses from the apparently healthy ducks into chickens or mammalian hosts.
Viterbi detector architectures for magnetic recording (2004)

Viterbi detectors are at the heart of the data detection in magnetic recording. They are used to detect the user bits read from the disk that are impaired by intersymbol interference and noise. However, the non-linear, recursive nature of the Viterbi algorithm makes the implementation for magnetic recording with data throughputs in excess of 1 Gb/s non-trivial. This paper will survey various Viterbi detector architectures that allow keeping pace with the speed dynamics of the storage industry.
Isomerically Pure Benzothiophene-Incorporated Acceptor: Achieving Improved Voc and Jsc of Nonfullerene Organic Solar Cells via End Group Manipulation (2019)

Benzene-based 1,1-dicyanomethylene-3-indanone (IC) derivatives have been widely utilized as the end-group to construct acceptor-donor-acceptor type nonfullerene acceptors (A-D-A type NFAs). The extension of the end-group conjugation of nonfullerene acceptors (NFAs) is a rational strategy to facilitate intermolecular stacking of the end-groups which are responsible for efficient electron transportation. A bicyclic benzothiophene-based end-group acceptor, 2-(3-oxo-2,3-dihydro-1<i>H</i>-benzo[<i>b</i>]cyclopenta[<i>d</i>]thiophen-1-ylidene)malononitrile, denoted as α-BC was designed and synthesized. The Knoevenagel condensation of the unsymmetrical 1,3-diketo-precursor with one equivalent of malononitrile selectively reacts with the keto group attached at the α-position of the thiophene unit, leading to the isomerically pure benzothiophene-fused α-BC. The well-defined α-BC with extended conjugation was condensed with three different ladder-type diformylated donors to form three new A-D-A NFAs named BDCPDT-BC, DTCC-BC, and ITBC, respectively. The corresponding IC-based BDCPDT-IC, DTCC-IC, and ITIC model compounds were also synthesized for comparison. The incorporation of the electron-rich benzothiophene unit in the end-group upshifts the lowest unoccupied molecular orbital energy levels of the NFAs, which beneficially enlarges the <i>V</i><sub>oc</sub> values. On the other hand, the benzothiophene unit in α-BC not also imparts an optical transition in the shorter wavelengths around 340-400 nm for a better light harvesting ability but also promotes the antiparallel π-π stacking of the end-groups for efficient electron transport. The organic photovoltaic cell devices using a PBDB-T polymer and BC-based NFAs all showed the improved <i>V</i><sub>oc</sub> and <i>J</i><sub>sc</sub> values. The BDCPDT-BC- and DTCC-BC-based devices exhibited a power conversion efficiency (PCE) of 10.82 and 10.74%, respectively, which outperformed the corresponding BDCPDT-IC-, and DTCC-IC-based devices (9.33 and 9.25%). More importantly, the ITBC-based device delivered the highest PCE of 12.07% with a <i>J</i><sub>sc</sub> of 19.90 mA/cm<sup>2</sup>, a <i>V</i><sub>oc</sub> of 0.94 V, and an fill factor of 64.51%, representing a 14% improvement relative to the traditional ITIC-based device (10.05%).
Nucleic Acids and Nucleotides: Mono‐Nucleotides (2007)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Visualizing the Molecular and Cellular Basis of Heparin Induced Thrombocytopenia. (2009)

Abstract Abstract 228 Heparin-induced thrombocytopenia (HIT) is an iatrogenic complication of heparin therapy caused by antibodies that recognize the platelet chemokine, Platelet Factor 4 (PF4), complexed to heparin or to cellular glycosaminoglycans (GAG). The origin of the sentinel feature of HIT - high propensity for thrombosis in the setting of mild thrombocytopenia - remains undefined. We have shown previously that monocytes are particularly susceptible to activation by HIT antibody because unlike platelets, whose surface glycosaminoglycans (GAGs) consist almost entirely of chondroitin sulfates (CS), monocytes express heparan and dermatan sulfates that bind to PF4 with greater affinity. Therefore, antigenic complexes form at lower concentrations of PF4 on monocytes than on platelets and are more resistant to removal by exogenous heparin. We now provide 2 lines of visual evidence in support of this model of the prothrombotic state in HIT: 1) We demonstrate by scanning electron microscopy that spheroidal particles indicative of PF4/GAG complexes are present on the surface of human monocytes upon addition of PF4. 2) Thrombus formation has been visualized in a previously described murine HIT model involving the infusion of the HIT-like monoclonal antibody KKO into mice double-transgenic for human PF4 (hPF4+) and FcγRIIA receptor (FcγRIIA+) on their platelets. After KKO infusion, hPF4+/FcγRIIA+ mice developed vigorous and concurrent accumulation of HIT antigenic complexes and fibrin at sites of laser-induced endothelial injury, not present in similarly treated single transgenic mice. Accumulation of PF4 and fibrin at sites of injury was not increased by a polyclonal anti-hPF4 antibody that does not induce thrombocytopenia in hPF4+/FcγRIIA+ mice. Monocytes and/or monocyte microparticles accumulated at sites of laser-induced injury in KKO-infused hPF4+/FcγRIIA+ mice, but not in KKO-infused single transgenic mice or hPF4+/FcγRIIA+ mice infused with an isotype control, beginning 2.5 min after formation of HIT antigenic complexes and fibrin deposition, accumulating preferentially at the upstream end of developing thrombi. These results provide new insights into the potential role of monocytes in the prothrombotic sequelae of HIT. Antigenic complexes form on monocytes exposed to PF4 and accumulate in HIT antibody-induced thrombi. Monocytes appear to reinforce thrombus formation initiated by injured endothelial cells and activated platelets. Disclosures: Poncz: Diagnostica Stago: Patents &amp; Royalties.
Silanes as Chain Transfer Agents in Metallocene-Mediated Olefin Polymerization. Facile in Situ Catalytic Synthesis of Silyl-Terminated Polyolefins (1995)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSilanes as Chain Transfer Agents in Metallocene-Mediated Olefin Polymerization. Facile in Situ Catalytic Synthesis of Silyl-Terminated PolyolefinsPeng-Fei Fu and Tobin J. MarksCite this: J. Am. Chem. Soc. 1995, 117, 43, 10747–10748Publication Date (Print):November 1, 1995Publication History Published online1 May 2002Published inissue 1 November 1995https://pubs.acs.org/doi/10.1021/ja00148a019https://doi.org/10.1021/ja00148a019research-articleACS PublicationsRequest reuse permissionsArticle Views782Altmetric-Citations94LEARN 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
Molten salt electrolytes. I. Experimental and theoretical studies of LiI/AlCl3 (2001)

Molten LiI/AlCl3 with different molar ratios of LiI to AlCl3 were prepared and characterized by Raman spectroscopy, thermal analysis, and impedance measurements. The LiI/AlCl3 adducts melt at 70–80 °C and the Raman spectrum indicates that a variety of haloaluminates exist in the system. The 1:1 adduct has the highest ionic conductivity, 2×10−6 S/cm at 25 °C, and the conductivity increases dramatically as the temperature is increased. Molecular dynamics (MD) simulations suggest that several haloaluminates are present in the adducts. Ab initio calculations were carried out on the species that were predicted by MD simulations and these results were compared with Raman spectra, and good agreement was obtained. Several-ns-long MD simulations allowed us to study the conductivity and relaxation processes in the 1:1 and 1:2 melts at higher temperatures.