cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Long-Lived, Colour-Triplet Scalars from Unnaturalness
Creators: name: Barnard, James
name: Cox, Peter
name: Gherghetta, Tony
name: Spray, Andrew
Publisher: name: arXiv
Year: 2015
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: Long-lived, colour-triplet scalars are a generic prediction of unnatural, or split, composite Higgs models where the spontaneous global-symmetry breaking scale $f \gtrsim 10$ TeV and an unbroken $SU(5)$ symmetry is preserved. Since the triplet scalars are pseudo Nambu-Goldstone bosons they are split from the much heavier composite-sector resonances and are the lightest exotic, coloured states. This makes them ideal to search for at colliders. Due to discrete symmetries the triplet scalar decays via a dimension-six term and given the large suppression scale $f$ is often metastable. We show that existing searches for collider-stable R-hadrons from Run-I at the LHC forbid a triplet scalar mass below 845 GeV, whereas with $300\,\mathrm{fb}^{-1}$ at 13 TeV triplet scalar masses up to 1.4 TeV can be discovered. For shorter lifetimes displaced-vertex searches provide a discovery reach of up to 1.8 TeV. In addition we present exclusion and discovery reaches of future hadron colliders as well as indirect limits that arise from modifications of the Higgs couplings.
description: 29 pages, 8 figures; v2: version published in JHEP
Vibrational Heat Transport in Molecular Junctions
Creators: name: Segal, Dvira
name: Agarwalla, Bijay Kumar
Publisher: name: arXiv
Year: 2015
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: We review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular electronics, thermoelectrics, and nanophononics, and for addressing basic questions in the theory of classical and quantum transport. Calculations show that system size, disorder, structure, dimensionality, internal anharmonicities, contact interaction, and quantum coherent effects, are factors that interplay to determine the predominant mechanism (ballistic/diffusive), effectiveness (poor/good) and functionality (linear/nonlinear) of thermal conduction at the nanoscale. We review recent experiments and relevant calculations of quantum heat transfer in molecular junctions. We recount the Landauer approach, appropriate for the study of elastic (harmonic) phononic transport, and outline techniques which incorporate molecular anharmonicities. Theoretical methods are described along with examples illustrating the challenge of reaching control over vibrational heat conduction in molecules.
description: review, submitted to Annual Review of Physical Chemistry
HIV primary care providers—Screening, knowledge, attitudes and behaviors related to alcohol interventions
Creators: name: McCaul, Mary E.
name: Saag, Michael S.
name: Moore, Richard D.
name: Cropsey, Karen
name: Rodriquez, Benigno
name: Chander, Geetanjali
name: Geng, Elvin
name: Kitahata, Mari M.
name: Quinlivan, E. Byrd
name: Hutton, Heidi E.
name: Monroe, Anne K.
name: Mathews, William Christopher
name: Ellison, Megan
name: Boswell, Stephen
name: Eron, Joseph J.
name: Crane, Heidi M.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: Alcohol has particularly harmful health effects in HIV-infected patients; therefore, HIV clinics are an important setting for integration of brief alcohol intervention and alcohol pharmacotherapy to improve patient outcomes. Current practices of alcohol screening, counseling, and prescription of pharmacotherapy by HIV providers are unknown.
Physiological response to reward and extinction predicts alcohol, marijuana, and cigarette use two years later
Creators: name: Lynam, Donald R.
name: Roberts, Walter
name: Peters, Jessica R.
name: Milich, Richard
name: Derefinko, Karen J.
name: Walsh, Erin C.
name: Eisenlohr-Moul, Tory A.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: Physiological responses to reward and extinction are believed to represent the Behavioral Activation System (BAS) and Behavioral Inhibition System (BIS) constructs of Reinforcement Sensitivity Theory and underlie externalizing behaviors, including substance use. However, little research has examined these relations directly.
Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: in silico study
Creators: name: Ayipo, Yusuf Oloruntoyin
name: Ahmad, Iqrar
name: Najib, Yahaya Sani
name: Sheu, Sikirat Kehinde
name: Patel, Harun
name: Mordi, Mohd Nizam
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: The nsp3 macrodomain and nsp12 (RdRp) enzymes are strongly implicated in the virulent regulation of the host immune response and viral replication of SARS-CoV-2, making them plausible therapeutic targets for mitigating infectivity. Remdesivir remains the only FDA-approved small-molecule inhibitor of the nsp12 in clinical conditions while none has been approved yet for the nsp3 macrodomain. In this study, 69,067 natural compounds from the IBScreen database were screened for efficacious potentials with mechanistic multitarget-directed inhibitory pharmacology against the dual targets using in silico approaches. Standard and extra precision (SP and XP) Maestro glide docking analyses were employed to evaluate their inhibitory interactions against the enzymes. Four compounds, STOCK1N-45901, 03804, 83408, 08377 consistently showed high XP scores against the respective targets and interacted strongly with pharmacologically essential amino acid and RNA residues, in better terms than the standard, co-crystallized inhibitors, GS-441524 and remdesivir. Further assessments through the predictions of ADMET and mutagenicity distinguished STOCK1N-45901, a natural derivative of o-hydroxybenzoate as the most promising candidate. The ligand maintained a good conformational and thermodynamic stability in complex with the enzymes throughout the trajectories of 100 ns molecular dynamics, indicated by RMSD, RMSF and radius of gyration plots. Its binding free energy, MM-GBSA was recorded as –54.24 and –31.77 kcal/mol against the respective enzyme, while its structure-activity relationships confer high probabilities as active antiviral, anti-inflammatory, antiinfection, antitussive and peroxidase inhibitor. The IBScreen database natural product, STOCK1N-45901 (2,3,4,5,6-pentahydroxyhexyl o-hydroxybenzoate) is thus recommended as a potent inhibitor of dual nsp3 and nsp12 of SARS-CoV-2 for further study. Communicated by Ramaswamy H. Sarma
Polygenic risk scores for cigarettes smoked per day do not generalize to a Native American population
Creators: name: Ehlers, Cindy L.
name: Otto, Jacqueline M.
name: Wilhelmsen, Kirk C.
name: Gizer, Ian R.
name: Bizon, Chris
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: Recent studies have demonstrated the utility of polygenic risk scores (PRSs) for exploring the genetic etiology of psychiatric phenotypes and the genetic correlations between them. To date, these studies have been conducted almost exclusively using participants of European ancestry, and thus, there is a need for similar studies conducted in other ancestral populations. However, given that the predictive ability of PRSs are sensitive to differences in linkage disequilibrium (LD) patterns and minor allele frequencies across discovery and target samples, the applicability of PRSs developed in European ancestry samples to other ancestral populations has yet to be determined. Therefore, the current study derived PRSs for cigarettes per day (CPD) from predominantly European-ancestry samples and examined their ability to predict nicotine dependence (ND) in a Native American (NA) population sample.
Berberine chloride (dual topoisomerase I and II inhibitor) modulate mitochondrial uncoupling protein (UCP1) in molecular docking and dynamic with in-vitro cytotoxic and mitochondrial ATP production
Creators: name: Ferdous, Md. Reyad-ul
name: Abdalla, Mohnad
name: Yang, Mengjiao
name: Xiaoling, Li
name: Song, Yongfeng
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Cancer
subject: Computational Biology

description: Obesity initiates numerous diseases like cardiovascular, metabolic, and type 2 diabetes, and obesity is a vital cause of death worldwide. Plants are necessary to the source of life. Several drug compounds isolated from plants are called phytochemicals which are safe, effective drug moieties to treat several diseases. Berberine chloride is a dual topoisomerase I and II inhibitor, that exhibited potent antitumor activities against several malignancies. However, the effect of Berberine on mitochondria remains unknown. The focus of this study was to determine the role of Berberine on mitochondrial uncoupling protein (UCP1), ATP production, and cytotoxic effect of HEK293T cell at a time and dose-dependent manner analysis by CCK8 assay. The upregulation of mitochondrial UCP1 gene expression reduces adipocyte content by initiating thermogenesis. In this study, berberine chloride significantly up-regulates UCP1 gene expression in brown adipocytes. AT 10 µM concentration of Berberine 48 h treatment demonstrated significant cell death. The decreased level of ATP production leads to mitochondrial uncoupling. Initiate thermogenesis reducing fat droplets in adipocytes. The first time, we used molecular docking and dynamic of Berberine with UCP1 gene in this study and revealed therapeutic potential of Berberine via modulation of mitochondrial UCP1 gene. Further investigation will reveal new insight into mechanisms to treat metabolic-related diseases. Communicated by Ramaswamy H. Sarma
Molecular dynamics simulations and in vitro studies of hybrid decellularized leaf-peptide-polypyrrole composites for potential tissue engineering applications
Creators: name: Mitchell, Saige M.
name: Pajovich, Harrison T.
name: Broas, Sarah M.
name: Hugo, Mindy M.
name: Banerjee, Ipsita A.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Space Science
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Cell Biology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Developmental Biology
subject: Cancer

description: Tissue engineering (TE) aims to repair and regenerate damaged tissue by an assimilation of optimal combination of cells specific to the tissue with an appropriate biomaterial. In this work, a new biomaterial for potential cardiac TE applications was developed by utilizing a combination of in silico studies and in vitro experiments. Molecular dynamics (MD) simulations for the formation of the novel composite prepared from the decellularized leaf components cellulose and pectin along with the VEGF derived peptide (NYLTHRQ) and polypyrrole (PPy) was carried out to assess self-assembly, mechanical properties, and interactions with integrin and NPR-C receptors which are commonly found in cells of cardiac tissue. Results of molecular dynamics simulations indicated the successful formation of stable assemblies. MD simulations also revealed that the scaffold successfully interacted with integrin and NPR-C receptors. As a proof of concept, beet leaves were decellularized (DC) and cross-linked with NYLTHRQ and PPy using layer-by-layer assembly. Decellularization (DC) was confirmed by DNA and protein quantification. Incorporation of the NYLTHRQ peptide and polypyrrole was confirmed by FTIR spectroscopy and SEM imaging. The DC-NYLTHRQ-PPy scaffold was seeded with co-cultured cardiomyocytes and vascular smooth muscle cells. The scaffold promoted cell proliferation and adhesion. Actin and Troponin T immunofluorescence staining showed the presence of these critical cardiomyocyte markers. Thus, for the first time we have developed a decellularized leaf-peptide-PPy composite scaffold by a combination of in silico studies and laboratory analyses that may have potential applications in cardiac TE. Communicated by Ramaswamy H. Sarma
The continuum of fetal alcohol spectrum disorders in a community in South Africa: Prevalence and characteristics in a fifth sample
Creators: name: Robinson, Luther K.
name: Tabachnick, Barbara
name: Hoyme, H. Eugene
name: Jones, Kenneth Lyons
name: de Vries, Marlene M.
name: Buckley, David
name: Adnams, Colleen M.
name: Manning, Melanie A.
name: Bezuidenhout, Heidre
name: Marais, Anna-Susan
name: Cloete, Marise
name: Joubert, Belinda
name: Barnard, Ronel
name: May, Philip A.
name: Hasken, Julie M.
name: Seedat, Soraya
name: Parry, Charles D.H.
name: Kalberg, Wendy O.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: The prevalence and characteristics of the continuum of diagnoses within fetal alcohol spectrum disorders (FASD) were researched in a fifth sample in a South African community.
The continuum of fetal alcohol spectrum disorders in four rural communities in south africa: Prevalence and characteristics
Creators: name: Hasken, Julie M.
name: Hoyme, H. Eugene
name: Hoyme, Derek
name: Robinson, Luther K.
name: de Vries, Marlene M.
name: Tabachnick, Barbara
name: Kalberg, Wendy O.
name: May, Philip A.
name: Adnams, Colleen M.
name: Jones, Kenneth Lyons
name: Manning, Melanie A.
name: Parry, Charles D.H.
name: Marais, Anna-Susan
name: Seedat, Soraya
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: Prevalence and characteristics of the continuum of diagnoses within fetal alcohol spectrum disorders (FASD) were researched in previously unstudied rural, agricultural, lower socioeconomic populations in South Africa (ZA).
Sparse approximation based on a random overcomplete basis
Creators: name: Nakanishi-Ohno, Yoshinori
name: Obuchi, Tomoyuki
name: Okada, Masato
name: Kabashima, Yoshiyuki
Publisher: name: arXiv
Year: 2015
Subjects: subject: Information Theory (cs.IT)
subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Computer and information sciences
subject: FOS: Physical sciences

description: We discuss a strategy of sparse approximation that is based on the use of an overcomplete basis, and evaluate its performance when a random matrix is used as this basis. A small combination of basis vectors is chosen from a given overcomplete basis, according to a given compression rate, such that they compactly represent the target data with as small a distortion as possible. As a selection method, we study the $\ell_0$- and $\ell_1$-based methods, which employ the exhaustive search and $\ell_1$-norm regularization techniques, respectively. The performance is assessed in terms of the trade-off relation between the representation distortion and the compression rate. First, we evaluate the performance analytically in the case that the methods are carried out ideally, using methods of statistical mechanics. Our result clarifies the fact that the $\ell_0$-based method greatly outperforms the $\ell_1$-based one. Second, we examine the practical performances of two well-known algorithms, orthogonal matching pursuit and approximate message passing, when they are used to execute the $\ell_0$- and $\ell_1$-based methods, respectively. Our examination shows that orthogonal matching pursuit achieves a much better performance than the exact execution of the $\ell_1$-based method, as well as approximate message passing. However, regarding the $\ell_0$-based method, there is still room to design more effective greedy algorithms than orthogonal matching pursuit. Finally, we evaluate the performances of the algorithms when they are applied to image data compression.
description: 35 pages, 11 figures
The impact of an alcohol harm reduction intervention on interpersonal violence and engagement in sex work among female sex workers in Mombasa, Kenya: Results from a randomized controlled trial
Creators: name: Green, Sherri
name: Parcesepe, Angela M.
name: L'Engle, Kelly L.
name: Kingola, Nzioki
name: Martin, Sandra L.
name: Sinkele, William
name: Suchindran, Chirayath
name: Mwarogo, Peter
name: Speizer, Ilene S.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: To evaluate whether an alcohol harm reduction intervention was associated with reduced interpersonal violence or engagement in sex work among female sex workers (FSWs) in Mombasa, Kenya.
Disagreeable Neighbors in Online Advertising: How Content of Adjacent Ads can Affect Consumers’ Attitudes and Behavior
Creators: name: Brekke, Madeleine
name: Grahe, Jon
name: Jackson, James
name: Cook, Chloe
name: Haehlen, Andrew
name: Robson, Chris
name: Gibbs, Jonathan
name: Luplow, Chase
name: Gillard, Riley
name: Carter, Ramy
name: Stenger, David
name: McKay, Kevin
name: Mickelson, Scott
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Advertising
subject: Attitudes
subject: Click Rate
subject: Consumer Behavior
subject: Content Congruence
subject: Contextual Targeting
subject: Marketing Research
subject: Online
subject: Online Avertising

description: Class project for the Master of Science and Marketing Research at Pacific Lutheran University. Topic: Online Advertisement
Bovine serum albumin interaction, molecular docking, anticancer and antimicrobial activities of Co(II) Schiff base complex derived from Nophen ligand
Creators: name: Rani, J. Jeevitha
name: Jayaseeli, A. Mary Imelda
name: Sankarganesh, M.
name: Asha, R. Nandini
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Cancer

description: In this report, synthesis, characterization, biological and molecular modeling studies of Nophen Schiff base [N,N-bis(2-hydroxy-1-naphthaldehyde)-o-phenylenediamine] and Co(II)-Nophen complex have been furnished. BSA binding affinities of the ligand and Co(II)-Nophen complex have been appraised by UV-visible, fluorescence and cyclic voltammetric techniques. Spectroscopic measurements indicate strong binding of the complex with BSA protein through static quenching mechanism with binding constant in the order of 104 M−1. The negative shift of the peak potential in cyclic voltammetry suggested an electrostatic interaction. Molecular docking analysis reveals significant binding affinity (-6.3 kcal/mol) of the complex towards BSA protein. It is amazing that the in vitro cytotoxicity of Co(II)-Nophen complex against A549 cell lines (Human lung carcinoma cells) has remarkable potentials with 29 ± 1.2 µM as IC50 value. Comparing the biological activity towards microorganisms, Co(II)-Nophen complex show substantial response than the Nophen ligand. Communicated by Ramaswamy H. Sarma Synthesis and Characterization of Co(II)-Nophen complex derived from Nophen ligand Analytical, computational and spectral techniques are performed BSA binding and molecular modeling of ligand and Co(II)-Nophen complex are studied Antimicrobial activity and cytotoxicity of synthesized compounds are examined In vitro cytotoxicity against A549 cell lines is notable for Co(II)-Nophen complex
Auditory caching behaviour in Eurasian jays: A replication study
Creators: name: Danby, Emily
name: DuBois, Jamie
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Comparative cognition
subject: Corvids
subject: Eurasian jays
subject: Social cognition

description: This study is replicating experiment 1 from Shaw & Clayton 2013 using a different cohort of Eurasian jays.
The male factor: Outcomes from a cluster randomized field experiment with a couples-based HIV prevention intervention in a South African township
Creators: name: Myers, Bronwyn
name: Doherty, Irene A.
name: Carney, Tara
name: Wechsberg, Wendee M.
name: Zule, William A.
name: El-Bassel, Nabila
name: Novak, Scott D.
name: Minnis, Alexandra M.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: This study examined the effects of the Couples Health CoOp intervention on heavy drinking, condom use, and HIV incidence.
Risk Factors for Ovarian Cancer: An Umbrella Review of the Literature
Creators: name: Whelan, Eilbhe
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Clinical Epidemiology
subject: Female Urogenital Diseases and Pregnancy Complications
subject: Women's Health
subject: Diseases
subject: Public Health
subject: Medicine and Health Sciences
subject: Epidemiology

description: This is an umbrella review of non-genetic risk factors for ovarian cancer. An umbrella review assesses all current, relevant published evidence for a particular exposure-outcome pair. Meta-analyses of the exposure-outcome are examined using strict grading criteria to evaluate the robustness of the evidence, looking specifically at the summary effects, number of cases, heterogeneity, 95% prediction intervals, small study effects and excess significant bias. The evidence is then graded into strong, highly suggestive, suggestive or weak. Many meta-analyses may not achieve any grading. Sensitivity analysis is also performed. Each included paper is also quality assessed.
title: Monitoring neo-adjuvant chemotherapy: comparison of contrast-enhanced spectral mammography (CESM) and MRI versus breast cancer characteristics
Creators: name: Iotti, Valentina
Publisher: name: European Congress of Radiology
Year: 2016
Subjects: subject: Breast
subject: Oncology
subject: Mammography
subject: MR
subject: Treatment effects
subject: Chemotherapy
subject: Cancer

description: Purpose Methods and materials Results Conclusion Personal information References
description: Purpose: To compare Contrast-Enhanced Spectral Mammography (CESM) and Contrast-Enhanced MRI (MRI) in assessing response to Neo-Adjuvant Chemotherapy (NAC) as a function of breast cancer histological and biological characteristics. Breast Cancer is the most...
Peptide Technologies in the Development of Chemical Tools for Chromatin‐Associated Machinery
Creators: name: Lamb, Kelsey N.
name: Frye, Stephen V.
name: James, Lindsey I.
name: Barnash, Kimberly D.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2017

description: Discerning a mechanistic understanding of the cause‐and‐effect relationships between chromatin post‐translational modifications (PTMs) and DNA accessibility for replication, transcription, and repair is an elusive goal being pursued using molecular and cellular biology, biochemistry, and more recently chemical inhibition. Chemical intervention of the chromatin‐associated complexes that regulate PTM maintenance and chromatin structure faces numerous challenges due to the broad surface‐groove interactions between many of these proteins and histones; yet, the increasing interest in understanding chromatin‐modifying complexes suggests tractable lead compounds will be critical for elucidating the mechanisms of chromatin dysregulation in disease states and validating the druggability of these domains. Peptides and peptidomimetics afford several advantages to efficient inhibitor development including a rational starting point, modular assembly, and retention of secondary structure. Numerous peptide technologies have been employed in the chromatin field to characterize substrate interactions, evaluate ligand selectivity, and optimize potent peptidomimetic inhibitors. We describe the progress and advantages of these efforts, and provide a perspective on their implications for future chemical probe and drug discovery efforts. Drug Dev Res 78 : 300–312, 2017. © 2017 Wiley Periodicals, Inc.
Measurement of the differential cross-section of highly boosted top quarks as a function of their transverse momentum in $\sqrt{s}$ = 8 TeV proton-proton collisions using the ATLAS detector
Creators: name: ATLAS Collaboration
Publisher: name: arXiv
Year: 2015
Subjects: subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: The differential cross-section for pair production of top quarks with high transverse momentum is measured in 20.3 fb$^{-1}$ of proton-proton collisions at a center-of-mass energy of 8 TeV. The measurement is performed for $t\bar{t}$ events in the lepton+jets channel. The cross-section is reported as a function of the hadronically decaying top quark transverse momentum for values above 300 GeV. The hadronically decaying top quark is reconstructed as an anti-$k_t$ jet with radius parameter $R=1.0$ and identified with jet substructure techniques. The observed yield is corrected for detector effects to obtain a cross-section at particle level in a fiducial region close to the event selection. A parton-level cross-section extrapolated to the full phase space is also reported for top quarks with transverse momentum above 300 GeV. The predictions of a majority of next-to-leading-order and leading-order matrix-element Monte Carlo generators are found to agree with the measured cross-sections.
description: 34 pages plus author list (51 pages total), 10 figures, 8 tables, published version, all figures including auxiliary figures are available at https://atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/TOPQ-2014-15/
title: Noise estimation for diffusion weighted MR image
Creators: name: Kanazawa, Yuki
Publisher: name: European Congress of Radiology
Year: 2016
Subjects: subject: MR physics
subject: MR-Diffusion/Perfusion
subject: MR
subject: Physics
subject: Technical aspects
subject: Education
subject: Image verification
subject: Quality assurance

description: Aims and objectives Methods and materials Results Conclusion Personal information References
description: Aims and objectives: Diffusion weighted (Dw) magnetic resonance image (MRI) is used for analysis of tissue characterization, i.e., intravoxel incoherent motion [1]. Some reports have been published being demonstrated the analysis method, e.g., q -space-analyzed Dw MRI...
Bioactivation of Trimethoprim to Protein-Reactive Metabolites in Human Liver Microsomes
Creators: name: Leeder, James S.
name: Hanzlik, Robert P.
name: Rogers, Steven A.
name: Goldman, Jennifer L.
name: Koen, Yakov M.
name: Li, Kelin
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: The formation of drug-protein adducts via metabolic activation and covalent binding may stimulate an immune response or may result in direct cell toxicity. Protein covalent binding is a potentially pivotal step in the development of idiosyncratic adverse drug reactions (IADRs). Trimethoprim (TMP)-sulfamethoxazole (SMX) is a combination antibiotic that commonly causes IADRs. Recent data suggest that the contribution of the TMP component of TMP-SMX to IADRs may be underappreciated. We previously demonstrated that TMP is bioactivated to chemically reactive intermediates that can be trapped in vitro by N-acetyl cysteine (NAC), and we have detected TMP-NAC adducts (i.e., mercapturic acids) in the urine of patients taking TMP-SMX. However, the occurrence and extent of TMP covalent binding to proteins was unknown. To determine the ability of TMP to form protein adducts, we incubated [14C]TMP with human liver microsomes in the presence and absence of NADPH. We observed protein covalent binding that was NADPH dependent and increased with incubation time and concentration of both protein and TMP. The estimated covalent binding was 0.8 nmol Eq TMP/mg protein, which is comparable to the level of covalent binding for several other drugs that have been associated with covalent binding–induced toxicity and/or IADRs. NAC and selective inhibitors of CYP2B6 and CYP3A4 significantly reduced TMP covalent binding. These results demonstrate for the first time that TMP bioactivation can lead directly to protein adduct formation, suggesting that TMP has been overlooked as a potential contributor of TMP-SMX IADRs.
title: Renal vasculature evaluation through 3.0T MR angiography in potential renal donors in Mexico.
Creators: name: Barragan Campos, Hector Manuel
Publisher: name: European Congress of Radiology
Year: 2016
Subjects: subject: Kidney
subject: Vascular
subject: MR-Angiography
subject: Intraoperative
subject: Imaging sequences
subject: Transplantation

description: Learning objectives Background Findings and procedure details Conclusion Personal information References
description: Learning objectives: a) The main objective of this study is to instruct radiologists about the use of magnetic resonance angiography (MRA) as a non-invasive diagnostic method in potential renal donors; with the aim to show the advantages and disadvantages that this...
In silico screening-based discovery of inhibitors against glycosylation proteins dysregulated in cancer
Creators: name: Alvarez, Michael Russelle S.
name: Grijaldo, Sheryl Joyce B.
name: Nacario, Ruel C.
name: Rabajante, Jomar F.
name: Heralde, Francisco M.
name: Lebrilla, Carlito B.
name: Completo, Gladys C.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 20199 Astronomical and Space Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Hematology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Targeting enzymes associated with the biosynthesis of aberrant glycans is an under-utilized strategy in discovering potential inhibitors or drugs against cancer. The formation of cancer-associated glycans is mainly due to the dysregulated expression of glycosyltransferases and glycosidases, which play crucial roles in maintaining cellular structure and function. We screened a database of more than 14,000 compounds consisting of natural products and drugs for inhibition against four glycosylation enzymes - Alpha1-6FucT, ST6Gal1, ERMan1, and GlcNAcT-V. The top inhibitors identified against each enzyme were subsequently analyzed for potential binding against all four enzymes. In silico screening results show several promising candidates that could potentially inhibit all four enzymes: (1) Amb20622156 (demethylwedelolactone) [ERMan1: −9.3 kcal/mol; Alpha1-6FucT: −7.3 kcal/mol; ST6Gal1: −8.4 kcal/mol; GlcNAcT-V: −7.2 kcal/mol], (2) Amb22173588 (1,2-dihydrotanshinone I) [ERMan1: −9.3 kcal/mol; Alpha1-6FucT: −6.1 kcal/mol; ST6Gal1: −9.2 kcal/mol; GlcNAcT-V: −7.9 kcal/mol], and (3) Amb22173591 (tanshinol B) [ERMan1: −9.3 kcal/mol; Alpha1-6FucT: −6.0 kcal/mol; ST6Gal1: −9.8 kcal/mol; GlcNAcT-V: −7.7 kcal/mol]. Drug-enzyme active site residue interaction analyses show that the putative inhibitors form non-covalent bonding interactions with key active site residues in each enzyme, suggesting critical target residues in the four enzymes’ active sites. Furthermore, pharmacokinetic property prediction analysis using pkCSM indicates that all of these inhibitors have good ADMETox properties (i.e., log P < 5, Caco-2 permeability > 0.90, intestinal absorption > 30%, skin permeability>-2.5, CNS permeability <-3, maximum tolerated dose < 0.477, minnow toxicity<-0.3). The in silico docking approach to glycosylation enzyme inhibitor prediction could help guide and streamline the discovery of novel inhibitors against enzymes involved in aberrant protein glycosylation. Communicated by Ramaswamy H. Sarma
Services for crime protection and crime analysis for the peace of mankind in an international platform
Creators: name: Hossain, Anowar
Publisher: name: Zenodo
Year: 2023
Subjects: Quality services for crime protection, crime analysis, peace of mankind, international platform

description: Cite: Md. Anowar Hossain; Services for crime protection and crime analysis for the peace of mankind in an international platform, Professor Dr. Anowar Hossain’s Knowledge Industry, a first PhD entrepreneur all over the world on 22 August 2023, engr.anowar@yahoo.com Profile of Professor (Dr.) Engr. Md. Anowar Hossain http://dx.doi.org/10.13140/RG.2.2.18182.34883/1 https://orcid.org/0000-0003-2880-6287 https://www.researchgate.net/profile/Engr-Md-Hossain www.linkedin.com/in/engr-md-anowar-hossain-PhD-RMIT Keywords Quality services for crime protection, crime analysis, peace of mankind, international platform
Assessing Relative Coronavirus Disease 2019 Mortality During the Second Wave: A Prospective Swiss Population-based Study
Creators: name: Hothorn, Torsten
name: Siegfried, Sandra
name: Bopp, Matthias
name: Günthard, Huldrych
name: Keiser, Olivia
name: Weibull, Caroline
name: Crowther, Michael
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Medicine and Health Sciences
subject: Relative risk; case-fatality rate; hazard ratio; SARS-CoV-2; covid-19

description: As most European countries experience a second wave of the covid-19 pandemic and report rising death tolls, the assessment of the burden of disease remains of key interest. Case-fatality rates and excess deaths are frequently reported. However, comparisons across countries or time-spans, due to differences in demographics, testing strategies and public health interventions, remain challenging. A relative quantification of covid-19 mortality risk addressing some of these issues was reported using data from the first wave in spring 2020 for Switzerland. During this first wave, the short term mortality risk increased at least nine-fold for females and males between 35 and 95 years.
Antiproliferative studies of transition metal chelates of a pyrazolone based hydrazone derivative
Creators: name: Philip, Surya
name: Jayasree, Elambalassery G.
name: Mohanan, Kochukittan
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Molecular Biology
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Cancer

description: Pyrazolone derivatives play a significant role in the treatment of cancer. The synergic effect which emerges from the combination of pyrazolone moiety with hydrazone functionality was investigated. The objective of this study was to explore the antiproliferative potential of copper(II), cobalt(II), nickel(II) and zinc(II) metal chelates synthesized from pyrazolone based hydrazone derivative. The ligand and the metal chelates were characterized by various spectroscopic and analytical studies. The ligand was characterized by single crystal X-ray diffraction analysis.The results were in line with the spectroscopic methods. The geometry optimization of ligand and metal chelates were performed using density functional theory (DFT). The invitro cytotoxicity of ligand and metal chelates against different cancer cell lines was investigated by MTT assay. The cell-viability experiments showed that copper(II) complex is an efficient cytotoxic agent against HeLa cell line. Moreover, possible inhibition mechanism of synthesized compounds was evaluated in silico against HPV16-E6 receptor. Communicated by Ramaswamy H. Sarma
In-class smartphone use and academic performance: Is the impact moderated by psychological and socioeconomic factors?
Creators: name: Olesen, Christoffer
name: Andersen, Asger
name: Bjerre-Nielsen, Andreas
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Social and Behavioral Sciences
subject: Academic performance
subject: Conscientiousness
subject: Locus of control
subject: Personality
subject: Smartphone
subject: Socioeconomic status

description: A secondary analysis of heterogeneity in the effect of smartphone use on academic performance in a population of university students.
Vorticity, Shocks and Magnetic Fields in Subsonic, ICM-like Turbulence
Creators: name: Porter, David H.
name: Jones, T. W.
name: Ryu, Dongsu
Publisher: name: arXiv
Year: 2015
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: We analyze high resolution simulations of compressible, MHD turbulence with properties resembling conditions in galaxy clusters. The flow is driven to turbulence Mach number $\mathcal{M}_t \sim 1/2$ in an isothermal medium with an initially very weak, uniform seed magnetic field ($β= P_g/P_B = 10^6$). Since cluster turbulence is likely to result from a mix of sheared (solenoidal) and compressive forcing processes, we examine the distinct turbulence properties for both cases. In one set of simulations velocity forcing is entirely solenoidal ($\nabla\cdot δ{\vec u} = 0$), while in the other it is entirely compressive ($\nabla\times δ{\vec u} = 0$). Both cases develop a mixture of solenoidal and compressive turbulent motions, since each generates the other. The development of compressive turbulent motions leads to shocks, even when the turbulence is solenoidally forced and subsonic. Shocks, in turn, produce and amplify vorticity, which is especially important in compressively forced turbulence. To clarify those processes we include a pair of appendices that look in detail at vorticity evolution in association with shocks. From our simulation analyses we find that magnetic fields amplified to near saturation levels in predominantly solenoidal turbulence can actually enhance vorticity on small scales by concentrating and stabilizing shear. The properties, evolution rates and relative contributions of the kinetic and magnetic turbulent elements depend strongly on the character of the forcing. Specifically, shocks are stronger, but vorticity evolution and magnetic field amplification are slower and weaker when the turbulence is compressively forced. We identify a simple relation to estimate characteristic shock strengths in terms of the turbulence Mach number and the character of the forcing. Our results will be helpful in understanding flow motions in galaxy clusters.
description: 46 pages, 14 figures. Accepted for publication in the Astrophysical Journal
Biotransformation Capacity of Carboxylesterase in Skin and Keratinocytes for the Penta-Ethyl Ester Prodrug of DTPA
Creators: name: Fu, Jing
name: Jay, Michael
name: Sadgrove, Matthew
name: Marson, Lesley
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: The penta-ethyl ester prodrug of the chelating agent diethylene triamine pentaacetic acid (DTPA), referred to as C2E5, effectively accelerated clearance of americium after transdermal delivery. Carboxylesterases (CESs) play important roles in facilitating C2E5 hydrolysis. However, whether CESs in human skin hydrolyze C2E5 remains unknown. We evaluated the gene and protein expression of CESs in distinctive human epidermal cell lines: HEKa, HEKn, HaCaT and A431. The substrates, p-nitrophenyl acetate (pNPA) and 4-nitrophenyl valerate (4-NPV), were used to access esterase and CES activity. C2E5 hydrolysis was measured by radiometric HPLC after incubating [(14)C]-C2E5 with S9 fractions prepared from skin cell lines with analysis. CESs specific inhibitors were used to access metabolism in human skin S9 fractions with analysis by LC/MS/MS. We identified the CES1 and CES2 bands in the western blot. The gene expression of these enzymes was supported by a real-time polymerase chain reaction (RT-qPCR). pNPA and 4-NPV assays demonstrated esterases and CESs activity in all the cell lines that were comparable to human skin S9 fractions. The prodrug C2E5 was hydrolyzed by skin S9 fractions resulting in a primary metabolite, C2E4. In human skin S9 fractions, inhibition of C2E5 hydrolysis was greatest with a pan CES inhibitor (benzil). CES1 inhibition (troglitazone) was greater than CES2 (loperamide), suggesting a primary metabolic role for CES1. These results indicate that human keratinocyte cell lines are useful for the evaluation of human cutaneous metabolism and absorption of ester-based prodrugs. However, keratinocytes from skin provide a small contribution to the overall metabolism of C2E5.
Molecular bonding with the RPAx: from weak dispersion forces to strong correlation
Creators: name: Colonna, Nicola
name: Hellgren, Maria
name: de Gironcoli, Stefano
Publisher: name: arXiv
Year: 2015
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: Chemical Physics (physics.chem-ph)
subject: FOS: Physical sciences

description: In a recent article [Phys. Rev. B 90, 125102 (2014)] we showed that the random phase approximation with exchange (RPAx) gives accurate total energies for a diverse set of systems including the high and low density regime of the homogeneous electron gas, the N$_2$ molecule, and the H$_2$ molecule at dissociation. In this work, we present results for the van der Waals bonded Ar$_2$ and Kr$_2$ dimers and demonstrate that the RPAx gives superior dispersion forces as compared to the RPA. We then show that this improved description is crucial for the bond formation of the Mg$_2$ molecule. In addition, the RPAx performs better for the Be$_2$ dissociation curve at large nuclear separation but, similar to the RPA, fails around equilibrium due to the build up of a large repulsion hump. For the strongly correlated LiH molecule at dissociation we have also calculated the RPAx potential and find that the correlation peak at the bond mid-point is overestimated as compared to the RPA and the exact result. The step feature is missing and hence the delocalisation error is comparable to the RPA. This is further illustrated by a smooth energy versus fractional charge curve and a poor description of the LiH dipole moment at dissociation.
Hepatocellular Disposition and Transporter Interactions with Tolvaptan and Metabolites in Sandwich-Cultured Human Hepatocytes
Creators: name: Brouwer, Kim L. R.
name: Brock, William J.
name: Slizgi, Jason R.
name: Freeman, Kimberly M.
name: Pan, Maxwell
name: Brouwer, Kenneth R.
name: Lu, Yang
name: St Claire, Robert L.
Publisher: name: The University of North Carolina at Chapel Hill University Libraries
Year: 2016

description: Tolvaptan is a selective V2-receptor antagonist primarily metabolized by CYP 3A. The present study investigated the hepatocellular disposition of tolvaptan and the generated tolvaptan metabolites, DM-4103 and DM-4107, as well as the potential for drug-drug interactions (DDIs) with metabolic and transport proteins in sandwich-cultured human hepatocytes (SCHH). Tolvaptan was incubated with SCHH and quantified by liquid chromatography–tandem mass spectrometry. Pioglitazone, verapamil, MK-571, and elacridar were used as inhibitors to investigate mechanisms of transport and metabolism of tolvaptan and metabolites. Taurocholate (TCA), pravastatin, digoxin, and metformin were used as transporter probes to investigate which transport proteins were inhibited by tolvaptan and metabolites. Cellular accumulation of tolvaptan (0.15–50 μM), DM-4103, and DM-4107 in SCHH was concentration-dependent. Tolvaptan accumulation (15 μM) in SCHH was not altered markedly by 50 μM pioglitazone, verapamil, MK-571, or 10 μM elacridar. Coincubation of tolvaptan with pioglitazone, verapamil, MK-571, and elacridar reduced DM-4107 accumulation by 45.6, 79.8, 94.5, and 23.0%, respectively, relative to control. Coincubation with increasing tolvaptan concentrations (0.15–50 μM) decreased TCA (2.5 μM) cell+bile accumulation and the TCA biliary excretion index (BEI; from 76% to 51%), consistent with inhibition of the bile salt export pump (BSEP). Tolvaptan (15 μM) had no effect on the cellular accumulation of 2.5 μM pravastatin or metformin. Digoxin cellular accumulation increased, and the BEI of digoxin decreased from 23.9 to 8.1% in the presence of 15 μM tolvaptan, consistent with inhibition of P-glycoprotein. In summary, SCHH studies revealed potential metabolic- and transporter-mediated DDIs involving tolvaptan and metabolites.
The Impacts of COVID-19 Related Mental Health Factors on Birth Outcomes - A Scoping Review Protocol
Creators: name: Zhao, Tianqi
name: Zuo, Hanxiao
name: Campbell, Sandra
name: Jhangri, Gian
name: Yamamoto, Shelby
Publisher: name: Open Science Framework
Year: 2022
Subjects: subject: Public Health
subject: Epidemiology
subject: Maternal and Child Health
subject: Mental and Social Health
subject: Women's Health
subject: Medicine and Health Sciences
subject: Social and Behavioral Sciences

description: The aim of this scoping review is to assess the state of the literature related to the impacts of COVID-19 related stress, anxiety and depressive symptoms during pregnancy on adverse birth outcomes, including preterm birth, low birth weight, small for gestational age, macrosomia, neonatal death and congenital anomaly among mothers who have given birth during the COVID-19 pandemic.