cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
E-pharmacophore based virtual screening for identification of dual specific PDE5A and PDE3A inhibitors as potential leads against cardiovascular diseases
Creators: name: Arooma Maryam
name: Khalid, Rana Rehan
name: Siddiqi, Abdul Rauf
name: Ece, Abdulilah
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Medicine
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences

description: The need of circumventing life-threatening cardiovascular disorders (CVDs) and pulmonary hypertension (PHT) worldwide prompts researchers to develop effective therapeutic agents. Crucial role of cyclic nucleotide phosphodiesterase-5 (PDE5A) and cyclic nucleotide phosphodiesterase-3 (PDE3A) in cardiovascular signaling makes them potential drug targets for the treatment of CVDs and PHT. In this study, one-drug-multiple-target strategy has been employed to screen inhibitors exhibiting dual specificity through Phase-generated and statistically validated e-pharmacophore models of PDE5A and PDE3A. An extensive CoCoCo database of 7 million compounds with ∼150,000,000 conformations was virtually screened by sequential e-pharmacophore mapping followed by Lipinski Rule of Five (RO5) evaluation and hierarchical docking simulations. Finally, docked hits were subjected to rigorous MMGBSA analysis to estimate the relative spatial affinity of the drug-like compounds. The hits (354 and 366 ligands against PDE5A and PDE3A, respectively) were further optimized through 2D clustering followed by a comprehensive 2D and 3D interaction analysis. Five structurally diverse hits mapped equally well with the e-pharmacophore models and showed promising inhibitory interactions with conserved four catalytic features of PDE5A and PDE3A, thus exhibiting dual specificity. Proposed lead compounds exhibited the lowest MMGBSA binding energies and were found to be in agreement with Lipinski Rule of Five (RO5) and ADME/Tox criteria as compared to sildenafil. The proposed dual inhibitors could thus provide promising outcomes for the discovery of dual as well as multipotent drug like compounds after lead optimization and primary therapeutic interventions. Communicated by Ramaswamy H. Sarma
Additional file 4 of Effect of Daesiho-tang on obesity with non-alcoholic fatty liver disease: a study protocol for a randomised, double-blind, placebo-controlled pilot trial
Creators: name: Kyungsun Han
name: Ojin Kwon
name: Hyo-Ju Park
name: Jung, So-Young
name: Changsop Yang
name: Chang-Gue Son
Publisher: name: figshare
Year: 2020
Subjects: subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Science Policy

description: Additional file 4. Standard Protocol Items: Recommendations for Interventional Trials (SPIRIT) 2013 checklist.
Extracting photoelectron spectra from the time-dependent wave function: Comparison of the projection onto continuum states and window-operator methods
Creators: name: Fetić, B.
name: Becker, W.
name: Milošević, D. B.
Publisher: name: arXiv
Year: 2019
Subjects: subject: Atomic Physics (physics.atom-ph)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Over the last three decades numerous numerical methods for solving the time-dependent Schrödinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an intense laser field. In addition, various numerical techniques for extracting the photoelectron spectra from the time-dependent wave function have emerged. In this paper we compare photoelectron spectra obtained by either projecting the time-dependent wave function at the end of the laser pulse onto the continuum state having proper incoming boundary condition or by using the window-operator method. Our results for three different atomic targets show that the boundary condition imposed onto the continuum states plays a crucial role for obtaining correct spectra accurate enough to resolve fine details of the interference structures of the photoelectron angular distribution.
Free planar isotropic-nematic interfaces in binary hard-rod fluids
Creators: name: Shundyak, Kostya
name: van Roij, Rene
Publisher: name: arXiv
Year: 2003
Subjects: subject: Soft Condensed Matter (cond-mat.soft)
subject: FOS: Physical sciences

description: Within the Onsager theory we study free planar isotropic-nematic interfaces in binary mixtures of hard rods. For sufficiently different particle shapes the bulk phase diagrams of these mixtures exhibit a triple point, where an isotropic (I) phase coexists with two nematic phases ($N_1$ and $N_2$) of different composition. For all explored mixtures we find that upon approach of the triple point the $IN_2$ interface shows complete wetting by an intervening $N_1$ film. We compute the surface tensions of isotropic-nematic interfaces, and find a remarkable increase with fractionation, similar to the effect in polydisperse hard-rod fluids.
description: 14 pages, 11 figures
Rapidity and Centrality Dependence of Proton and Anti-proton Production from Au+Au Collisions at sqrt(sNN) = 130GeV
Creators: name: Adams, J.
Publisher: name: arXiv
Year: 2003
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: We report on the rapidity and centrality dependence of proton and anti-proton transverse mass distributions from Au+Au collisions at sqrt(sNN) = 130GeV as measured by the STAR experiment at RHIC. Our results are from the rapidity and transverse momentum range of |y|<0.5 and 0.35
description: 4 pages, 3 figures, 1 table, submitted to PRL
Additional file 3 of Effect of Daesiho-tang on obesity with non-alcoholic fatty liver disease: a study protocol for a randomised, double-blind, placebo-controlled pilot trial
Creators: name: Kyungsun Han
name: Ojin Kwon
name: Hyo-Ju Park
name: Jung, So-Young
name: Changsop Yang
name: Chang-Gue Son
Publisher: name: figshare
Year: 2020
Subjects: subject: Biochemistry
subject: Physiology
subject: FOS: Biological sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Computational Biology

description: Additional file 3. Obesity pattern identification questionnaire.
Stock Price Prediction Using Convolutional Neural Networks on a Multivariate Timeseries
Creators: name: Mehtab, Sidra
name: Sen, Jaydip
Publisher: name: arXiv
Year: 2020
Subjects: subject: Statistical Finance (q-fin.ST)
subject: Machine Learning (cs.LG)
subject: Computational Finance (q-fin.CP)
subject: FOS: Economics and business
subject: FOS: Computer and information sciences

description: Prediction of future movement of stock prices has been a subject matter of many research work. In this work, we propose a hybrid approach for stock price prediction using machine learning and deep learning-based methods. We select the NIFTY 50 index values of the National Stock Exchange of India, over a period of four years, from January 2015 till December 2019. Based on the NIFTY data during the said period, we build various predictive models using machine learning approaches, and then use those models to predict the Close value of NIFTY 50 for the year 2019, with a forecast horizon of one week. For predicting the NIFTY index movement patterns, we use a number of classification methods, while for forecasting the actual Close values of NIFTY index, various regression models are built. We, then, augment our predictive power of the models by building a deep learning-based regression model using Convolutional Neural Network with a walk-forward validation. The CNN model is fine-tuned for its parameters so that the validation loss stabilizes with increasing number of iterations, and the training and validation accuracies converge. We exploit the power of CNN in forecasting the future NIFTY index values using three approaches which differ in number of variables used in forecasting, number of sub-models used in the overall models and, size of the input data for training the models. Extensive results are presented on various metrics for all classification and regression models. The results clearly indicate that CNN-based multivariate forecasting model is the most effective and accurate in predicting the movement of NIFTY index values with a weekly forecast horizon.
description: The paper will be published in the Proceedings of the "National Conference on Machine Learning and Artificial Intelligence" which will be organized in New Delhi, India, during February 1 - 3, 2020. It contains 7 pages, 3 figures, and 19 tables. arXiv admin note: substantial text overlap with arXiv:1912.07700
Deeveyidae Kornicker & Iliffe 1985
Creators: name: Kornicker, Louis S.
name: Iliffe, Thomas M.
name: Harrison-Nelson, Elizabeth
Publisher: name: Zenodo
Year: 2007
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Ostracoda
Halocyprida
Deeveyidae

description: Family Deeveyidae Kornicker & Iliffe 1985, elevation from subfamily rank  Deeveyinae Kornicker & Iliffe 1985:476.— Angel & Iliffe 1987:543.— Angel 1993:45.
 Composition. This family contains the subfamilies Deeveyinae Kornicker & Iliffe 1985 and Spelaeoeciinae, new subfamily.
description: Published as part of Kornicker, Louis S., Iliffe, Thomas M. & Harrison-Nelson, Elizabeth, 2007, Ostracoda (Myodocopa) from Anchialine Caves and Ocean Blue Holes, pp. 1-151 in Zootaxa 1565 (1) on page 34, DOI: 10.11646/zootaxa.1565.1.1, http://zenodo.org/record/5095810
Observational evidence for a connection between supermassive black holes and dark matter haloes
Creators: name: Baes, Maarten
name: Buyle, Pieter
name: Hau, George K. T.
name: Dejonghe, Herwig
Publisher: name: arXiv
Year: 2003
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We present new velocity dispersion measurements of sample of 12 spiral galaxies for which extended rotation curves are available. These data are used to refine a recently discovered correlation between the circular velocity and the central velocity dispersion of spiral galaxies. We find a slightly steeper slope for our larger sample, we confirm the negligible intrinsic scatter on this correlation, and we find a striking agreement with a corresponding relation for elliptical galaxies. We combine this correlation with the well-known MBH-sigma relation to obtain a tight correlation between the circular velocities of galaxies and the masses of the supermassive black holes they host. This correlation is the observational evidence for an intimate link between dark matter haloes and supermassive black holes. Apart from being an important ingredient for theoretical models of galaxy formation and evolution, the relation between MBH and circular velocity can serve as a practical tool to estimate black hole masses in spiral galaxies.
description: 5 pages, 2 figures, accepted for publication in MNRAS pink pages
Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine cluster
Creators: name: Celik, Sefa
name: Albayrak, Ali Tugrul
name: Akyuz, Sevim
name: Aysen E. Ozel
name: Belgi Diren Sigirci
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Density functional theory calculations were performed with DFT method using both b3lyp/6-311++G(d,p) and wb97xd/6-311++G(d,p) levels of theory to predict the molecular geometry, to evaluate the molecular electrostatic potential and frontier molecular orbitals of synthesized a new compound: caprolactam-glysine cluster (CL-Gly). Molecular docking study of the CL-Gly was carried out to clarify the interaction and the probable binding modes, between the title compound and DNA. The antibacterial activities of CL-Gly cluster against Gram-positive and Gram-negative bacteria was determined. In silico ADMET study was also performed for predicting pharmacokinetic and toxicity profile of the synthesized cluster which expressed good drug-like behavior and non-toxic nature. It was revealed that the compound has importance in drug discovery process. Communicated by Ramaswamy H. Sarma
title: AI3SD Video: Deep Learning Enhanced Quantum Chemistry: Pushing the limits of Materials Discovery
Creators: name: Maurer, Reinhard J.
Publisher: name: University of Southampton
Year: 2021
Subjects: subject: AI, AI3SD Event, Artificial Intelligence, Chemical Discovery, Chemistry, Machine Intelligence, Machine Learning, Materials Discovery, ML, Molecules Discovery, Quantum Chemistry

description: Atomistic simulation based on quantum mechanics (QM) is currently being revolutionized by machine-learning (ML) methods. Many existing approaches use ML to predict molecular properties from quantum chemical calculations. This has enabled molecular property prediction within vast chemical compound spaces and the high-dimensional parametrization of energy landscapes for the efficient molecular simulation of measurable observables. However, as all properties derive from the QM wave function, an ML model that is able to predict the wave function also has the potential to predict all other molecular properties. In this talk, I will explore ML approaches that directly represent wave functions and QM Hamiltonians and their derivatives for developing methods that use ML and QM in synergy. [1] Using examples from molecular dynamics [1] and heterogeneous catalysis, [2,3] I will discuss the challenges associated with encoding physical symmetries and invariance properties into deep learning models. Upon overcoming these challenges, integrated ML-QM methods offer the combined benefits of big-data-driven parametrization and first-principles-based methods. I will discuss several opportunities associated with building ML-augmented quantum chemical methods, including Inverse Chemical Design based on ML-predicted wave functions and the development of efficient and accurate semi-empirical methods to study hybrid metal-organic materials. [4] [1] KT SchÃ¼tt, M Gastegger, A Tkatchenko, K-R MÃ¼ller & RJ Maurer, Nature Communications 10, 5024 (2019). [2] Y Zhang, RJ Maurer, and B Jiang, J. Phys. Chem. C 124, 186-195 (2020); [3] Y Zhang, RJ Maurer, H Guo, and B Jiang, Chem. Sci. 10, 1089-1097 (2019). [4] M Gastegger, A McSloy, M Luya, KT SchÃ¼tt, RJ Maurer, J. Chem. Phys. 153, 044123 (2020).
X-rays from Stars and Planetary Systems
Creators: name: Drake, Jeremy J.
Publisher: name: arXiv
Year: 2019
Subjects: subject: High Energy Astrophysical Phenomena (astro-ph.HE)
subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: The Chandra X-ray Observatory has completed a remarkable twenty years in orbit. A large part of the science program of Chandra during this time has involved the study of stars and their planetary systems. This primer aims to give the reader a taste of the enormous range of stellar and planetary astrophysics that Chandra has enabled. Beginning with a tour of the X-ray solar system zoo, including the stunning pulsating X-ray aurorae of Jupiter, we then move on to the hot million-degree outer atmospheres of stars like our own Sun, whose X-ray emission is driven by an internal magnetic dynamo. The same emission processes are also vigorously present in the youngest stars, and we highlight some Chandra observations and results on nascent stellar and planetary systems. Chandra surveys and high-resolution spectroscopy of massive stars have provided a new window on the means by which they scavenge X-ray emission from their radiatively-driven winds, sometimes modulating this output by strong underlying stellar magnetic fields. We touch upon the evanescent X-radiation from intermediate-mass stars before arriving at the inevitable evolutionary endpoints of all but massive stars, first in energized X-ray emitting planetary nebulae, then in the slowly cooling, soft-X-ray emitting photospheres of white dwarfs. We conclude with white dwarfs in close binary systems, rejuvenated by interaction with a companion and where accretion gives play to a new range of energetic behavior even more spectacular and cataclysmic than the coruscant astrophysical road down which they have travelled.
description: A primer on Chandra contributions to X-ray studies of stars and planetary systems. 96 pages
Lifting of level-1 states in the D1D5 CFT
Creators: name: Guo, Bin
name: Mathur, Samir D.
Publisher: name: arXiv
Year: 2019
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: The D1D5 CFT has a large set of states that are supersymmetric at the `free' orbifold point in moduli space. When we perturb away from this point, some of these states join into long multiplets and lift in energy, while others remain supersymmetric. The count of unlifted states can be bounded below by an index, but the index does not yield the pattern of lifting; i.e., which states join into a long multiplet and how much this multiplet lifts. In this paper we consider the simple case of the D1D5 CFT where the orbifold CFT is a sigma model with targets space $(T^4)^2/S_2$ and consider states at energy level $1$. There are $2688$ states at this level. The lifted states form a triplet of long multiplets, and we compute their lift at second order in perturbation theory. Half the members of the long multiplet are in the untwisted sector and half are in the twisted sector. This and other similar studies should help in the understanding of fuzzball states that describe extremal holes, since CFT sectors with low twist describe shallow throats in the dual gravity solution while sectors with high twist describe deep throats.
description: 36 pages
Additional file 7 of Movement behaviour of two social urticating caterpillars in opposite hemispheres
Creators: name: Uemura, Mizuki
name: Perkins, Lynda
name: Zalucki, Myron
name: Battisti, Andrea
Publisher: name: figshare
Year: 2020
Subjects: subject: Space Science
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Marine Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Additional file 7 Images PDF. A Thaumetopoea pityocampa pre-pupation procession route from first sighting along the footpath at Monte Garzon, Veneto Italy. The procession was studied from the first sighting (yellow circle) and every grey (A)/white (B) arrow represents a change in orientation in search for a pupation site. The thick grey line represents the human attended area of a 10â€‰m radius from the first sighting of the procession. Additional file 7 A and B represents the same T. pityocampa pre-pupation procession with different geographic layers, A being the simplest and B being the most complex with the satellite image.
Orthogonal polynomials, special functions and mathematical physics
Creators: name: Lorente, M.
Publisher: name: arXiv
Year: 2004
Subjects: subject: Mathematical Physics (math-ph)
subject: FOS: Physical sciences

description: In the 6th Int. Symposium on OPSFA there were several communications dealing with concrete applications of orthogonal polynomials to experimental and theoretical physics, chemistry, biology and statistics. Here I make suggestions concerning the use of powerful apparatus of orthogonal polynomials and special functions in several lines of research in mathematical physics
description: LaTeX, 4 pages, Comunication presented to the 6th International Symposium on Orthogonal Polynomials, Special Functions and their Applications, Rome, June 2001 (late submission to arxiv.org)
Braginskii viscosity on an unstructured, moving mesh accelerated with super-time-stepping
Creators: name: Berlok, Thomas
name: Pakmor, Ruediger
name: Pfrommer, Christoph
Publisher: name: arXiv
Year: 2019
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: We present a method for efficiently modelling Braginskii viscosity on an unstructured, moving mesh. Braginskii viscosity, i.e., anisotropic transport of momentum with respect to the direction of the magnetic field, is thought to be of prime importance for studies of the weakly collisional plasma that comprises the intracluster medium (ICM) of galaxy clusters. Here anisotropic transport of heat and momentum has been shown to have profound consequences for the stability properties of the ICM. Our new method for modelling Braginskii viscosity has been implemented in the moving mesh code Arepo. We present a number of examples that serve to test the implementation and illustrate the modified dynamics found when including Braginskii viscosity in simulations. These include (but are not limited to) damping of fast magneto-sonic waves, interruption of linearly polarized Alfvén waves by the firehose instability and the inhibition of the Kelvin-Helmholtz instability by Braginskii viscosity. An explicit update of Braginskii viscosity is associated with a severe time step constraint that scales with $(Δx)^2$ where $Δx$ is the grid size. In our implementation, this restrictive time step constraint is alleviated by employing 2nd order accurate Runge-Kutta-Legendre super-time-stepping. We envision including Braginskii viscosity in future large-scale simulations of Kelvin-Helmholtz unstable cold fronts in cluster mergers and AGN-generated bubbles in central cluster regions.
description: 21 pages, 11 figures, accepted for publication in MNRAS
Thermodynamic and kinetic aspects of RNA pulling experiments
Creators: name: Manosas, Maria
name: Ritort, Felix
Publisher: name: arXiv
Year: 2004
Subjects: subject: Statistical Mechanics (cond-mat.stat-mech)
subject: Biomolecules (q-bio.BM)
subject: FOS: Physical sciences
subject: FOS: Biological sciences

description: Recent single-molecule pulling experiments have shown how it is possible to manipulate RNA molecules using optical tweezers force microscopy. We investigate a minimal model for the experimental setup which includes a RNA molecule connected to two polymers (handles) and a bead, trapped in the optical potential, attached to one of the handles. Initially, we focus on small single-domain RNA molecules which unfold in a cooperative way. The model qualitatively reproduces the experimental results and allow us to investigate the influence of the bead and handles on the unfolding reaction. A main ingredient of our model is to consider the appropriate statistical ensemble and the corresponding thermodynamic potential describing thermal fluctuations in the system. We then investigate several questions relevant to extract thermodynamic information from the experimental data. Next, we study the kinetics using a dynamical model. Finally, we address the more general problem of a multidomain RNA molecule with Mg2+-tertiary contacts that unfolds in a sequential way and propose techniques to analyze the breakage force data in order to obtain the reliable kinetics parameters that characterize each domain.
description: 36 pages, 37 figures. Submitted to Biophysical Journal
MOESM2 of Transcriptome analysis reveals key genes involved in the regulation of nicotine biosynthesis at early time points after topping in tobacco (Nicotiana tabacum L.)
Creators: name: Qin, Yan
name: Bai, Shenglong
name: Li, Wenzheng
name: Sun, Ting
name: Galbraith, David
name: Yang, Zefeng
name: Zhou, Yun
name: Sun, Guiling
name: Wang, Bingwu
Publisher: name: figshare
Year: 2020
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Plant Biology
subject: Computational Biology

description: Additional file 2: Figure S2. Correlation of different biological replicates across all samples.
Spelaeoeciinae Kornicker & Iliffe & Harrison-Nelson 2007, new subfamily
Creators: name: Kornicker, Louis S.
name: Iliffe, Thomas M.
name: Harrison-Nelson, Elizabeth
Publisher: name: Zenodo
Year: 2007
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Ostracoda
Halocyprida
Deeveyidae

description: Subfamily Spelaeoeciinae, new subfamily   Type genus: Spelaeoecia Angel & Iliffe 1987.
 Diagnosis. Carapace with rostrum. First antenna with 8 articles, article 1 without bristles, article 2 with 1 dorsal bristle. Endopod of adult male 2 nd antenna with clasper generally developed better on right limb. Sixth limb with lobe-like exopod bearing 5 bristles. Bellonci Organ bifid. Copulatory limb of male with two processes, posterior process with either narrow or broad tip.
 Composition. At present this subfamily includes only the genus Spelaeoecia Angel & Iliffe 1987. The great differences in the morphology of the carapaces of species of Spelaeocia and Deeveya are deemed sufficient evidence to require that each genus be referred to a different subfamily.
description: Published as part of Kornicker, Louis S., Iliffe, Thomas M. & Harrison-Nelson, Elizabeth, 2007, Ostracoda (Myodocopa) from Anchialine Caves and Ocean Blue Holes, pp. 1-151 in Zootaxa 1565 (1) on page 34, DOI: 10.11646/zootaxa.1565.1.1, http://zenodo.org/record/5095810
Improved axion haloscope search analysis
Creators: name: Ahn, S.
name: Lee, S.
name: Choi, J.
name: Ko, B. R.
name: Semertzidis, Y. K.
Publisher: name: arXiv
Year: 2020
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: One of the most significant and practical figures of merit in axion haloscope searches is the scanning rate, because of the unknown axion mass. Under the best experimental parameters, the only way to improve the figure of merit is to increase the experimentally designed signal to noise ratio in the axion haloscope search analysis procedure. In this paper, we report an improved axion haloscope search analysis using the data taken by the CAPP-8TB haloscope. By correcting for the background biased by the background parametrizations in the presence of axion signals, we realized a signal to noise ratio efficiency of about 100\%. Given the axion haloscope search analyses to date, the scanning rate can be improved by 21\%, with about a 10\% improvement in the signal to noise ratio. This improvement is another low cost innovation in axion haloscope searches, where all the experimental parameters are currently at their best.
description: 15 pages, 11 figures, JHEP accepted
Synthesis, antimicrobial activity, molecular docking and ADMET study of a caprolactam-glycine cluster
Creators: name: Celik, Sefa
name: Albayrak, Ali Tugrul
name: Akyuz, Sevim
name: Aysen E. Ozel
name: Belgi Diren Sigirci
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
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: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Density functional theory calculations were performed with DFT method using both b3lyp/6-311++G(d,p) and wb97xd/6-311++G(d,p) levels of theory to predict the molecular geometry, to evaluate the molecular electrostatic potential and frontier molecular orbitals of synthesized a new compound: caprolactam-glysine cluster (CL-Gly). Molecular docking study of the CL-Gly was carried out to clarify the interaction and the probable binding modes, between the title compound and DNA. The antibacterial activities of CL-Gly cluster against Gram-positive and Gram-negative bacteria was determined. In silico ADMET study was also performed for predicting pharmacokinetic and toxicity profile of the synthesized cluster which expressed good drug-like behavior and non-toxic nature. It was revealed that the compound has importance in drug discovery process.
Bounds on Photon Spheres and Shadows of Charged Black Holes in Einstein-Gauss-Bonnet-Maxwell Gravity
Creators: name: Ma, Liang
name: Lu, H.
Publisher: name: arXiv
Year: 2019
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: We consider spherically symmetric and static charged black holes in Einstein-Gauss-Bonnet-Maxwell gravities in general $D\ge 5$ dimensions and study their photon spheres and black hole shadows. We show that they all satisfy the sequence of inequalities recently proposed relating a black hole's horizon, photon sphere, shadow and its mass.
description: Latex, 11 pages
Additional file 6 of Movement behaviour of two social urticating caterpillars in opposite hemispheres
Creators: name: Uemura, Mizuki
name: Perkins, Lynda
name: Zalucki, Myron
name: Battisti, Andrea
Publisher: name: figshare
Year: 2020
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Evolutionary Biology
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: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology

description: Additional file 6 Images PDF A sub-sample of three Ochrogaster lunifer pre-pupation procession routes from one host tree at the University of Queensland, Gatton campus, Australia. Every procession starts from the host tree (yellow circle) and each arrow represents a change in procession orientation in search for a pupation site (grey/white arrows)/had human contact (red arrows). The tip of the last arrow is the last point. Red arrows represent the procession that was run over by a car on the road (human contact). Grey (A and B)/white (C) arrows represent processions that successfully went into a bivouac. In B and C, various shades of grey circles starting from the host tree is the amount of human attended areas (urban structures) there are for a given radius of various increments (5, 10, 20, 40â€‰m). Additional file 6 A, B and C represents the same three O. lunifer pre-pupation processions with different geographic layers, starting from A being the simplest to C being the most complex with the satellite image.
Improving Dynamical Domain-Wall Fermion Simulations
Creators: name: Levkova, L.
name: Mawhinney, R.
Publisher: name: arXiv
Year: 2003
Subjects: subject: High Energy Physics - Lattice (hep-lat)
subject: FOS: Physical sciences

description: We report on studies of the chiral properties of dynamical domain wall fermions combined with the DBW2 gauge action for different gauge couplings and fermion masses. For quenched theories, the DBW2 action gives a residual chiral symmetry breaking much smaller than what was found with more traditional choices for the gauge action. Our goal is to investigate the possibilities which this and further improvements provide for the study of QCD thermodynamics and other simulations at stronger couplings.
description: 3 pages, 4 figures, 3 tables, Lattice2003(improve)
Investigation of low spin states in 48-Cr with the MINIBALL spectrometer
Creators: name: Jessen, K.
name: Dewald, A.
name: Eberth, J.
name: Gersch, G.
name: Jolie, J.
name: Pietralla, N.
name: Steinhardt, T.
name: Warr, N.
name: Weisshaar, D.
name: Werner, V.
name: von Brentano, P.
name: Lenzi, S. M.
Publisher: name: arXiv
Year: 2003
Subjects: subject: Nuclear Experiment (nucl-ex)
subject: FOS: Physical sciences

description: Low spin states in the self-conjugate even-even nucleus 48-Cr were investigated using the MINIBALL gamma-ray spectrometer. At the FN tandem accelerator in Cologne the 46-Ti(3-He,n) reaction was used for the measurement of gamma-gamma coincidences for an excitation function from 7 to 12 MeV beam energy. 17 excited states were observed, nine for the first time by means of gamma-ray spectroscopy, and new spin assignments were made. No excited states apart from the ground band were observed below 3.4 MeV.
description: 5 pages, 5 figures, prepared for submission tp Phys. Rev. C
Exact solution for the Green's function describing time-dependent thermal Comptonization
Creators: name: Becker, Peter A.
Publisher: name: arXiv
Year: 2003
Subjects: subject: Astrophysics (astro-ph)
subject: FOS: Physical sciences

description: We obtain an exact, closed-form expression for the time-dependent Green's function solution to the Kompaneets equation. The result, which is expressed as the integral of a product of two Whittaker functions, describes the evolution in energy space of a photon distribution that is initially monoenergetic. Effects of spatial transport within a homogeneous scattering cloud are also included within the formalism. The Kompaneets equation that we solve includes both the recoil and energy diffusion terms, and therefore our solution for the Green's function approaches the Wien spectrum at large times. We show that the Green's function can be used to generate all of the previously known steady-state and time-dependent solutions to the Kompaneets equation. The new solution allows the direct determination of the spectrum, without the need to numerically solve the partial differential equation. Based upon the Green's function, we obtain a new time-dependent solution for the photon distribution resulting from the reprocessing of an optically thin bremsstrahlung initial spectrum with a low-energy cutoff. The new bremsstrahlung solution possesses a finite photon number density, and therefore it displays proper equilibration to a Wien spectrum at large times. The relevance of our results for the interpretation of emission from variable X-ray sources is discussed, with particular attention to the production of hard X-ray time lags, and the Compton broadening of narrow features such as iron lines.
description: text plus 9 figures, MNRAS 2003, in press
Additional file 5 of Movement behaviour of two social urticating caterpillars in opposite hemispheres
Creators: name: Uemura, Mizuki
name: Perkins, Lynda
name: Zalucki, Myron
name: Battisti, Andrea
Publisher: name: figshare
Year: 2020
Subjects: subject: Molecular Biology
subject: Evolutionary Biology
subject: FOS: Biological sciences
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Additional file 5 Graph PDF Comparison of the observed pre-pupation procession times of Ochrogaster lunifer and Thaumetopoea pityocampa in Australia and Italy, respectively. Time of observation for O. lunifer (black line) was from the time the procession left the nest and T. pityocampa (grey line) was first sighting on the footpath.
Spelaeoecia Angel & Iliffe 1987
Creators: name: Kornicker, Louis S.
name: Iliffe, Thomas M.
name: Harrison-Nelson, Elizabeth
Publisher: name: Zenodo
Year: 2007
Subjects: Biodiversity
Taxonomy
Animalia
Arthropoda
Ostracoda
Halocyprida
Thaumatocyprididae
Spelaeoecia

description: Spelaeoecia Angel & Iliffe 1987
 Spelaeoecia Angel & Iliffe 1987:545, figs. 2-6.—Kornicker 1989:314.— Angel 1993:45.
 Type species. Spelaeoecia bermudensis Angel & Iliffe 1987.
 Composition and distribution. The genus contains 11 species from anchialine inland habitats: Bahamas (seven species: S. barri Kornicker 1997 in Kornicker & Barr 1997, S. parkeri Kornicker et al. 2002, S. hox n. sp., S. sagax Kornicker 1990 in Kornicker et al. 1990, S. capax Kornicker 1990 in Kornicker et al. 1990, S. styx Kornicker 1990 in Kornicker et al. 1990, S. parkeri Kornicker et al. 2002); Bermuda (one species: S. bermudensis Angel & Iliffe 1987); Cuba (two species: S. saturno Kornicker & Yager 2002, S. cubensis Kornicker & Yager 1996); Jamaica (one species: S. jamaicensis Kornicker & Iliffe 1992); Mexico (Yucatan Peninsula) (one species: S. mayan Kornicker & Iliffe 1998). The distribution of the Bahamian species is presented in Table 2 and Fig. 6.
 Identification of growth stages. Instars A-5 to A-1 are known in the genus, but the A-5 instar is known for only S. styx (Table 7). The numbers of claws and bristles on the lamellae of the furca differ on species and also increase on later growth stages of the same species; therefore, they are useful for identifying species and growth stages (Table 7).
description: Published as part of Kornicker, Louis S., Iliffe, Thomas M. & Harrison-Nelson, Elizabeth, 2007, Ostracoda (Myodocopa) from Anchialine Caves and Ocean Blue Holes, pp. 1-151 in Zootaxa 1565 (1) on page 34, DOI: 10.11646/zootaxa.1565.1.1, http://zenodo.org/record/5095810
MOESM3 of Transcriptome analysis reveals key genes involved in the regulation of nicotine biosynthesis at early time points after topping in tobacco (Nicotiana tabacum L.)
Creators: name: Qin, Yan
name: Bai, Shenglong
name: Li, Wenzheng
name: Sun, Ting
name: Galbraith, David
name: Yang, Zefeng
name: Zhou, Yun
name: Sun, Guiling
name: Wang, Bingwu
Publisher: name: figshare
Year: 2020
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Developmental Biology

description: Additional file 3: Figure S3. Hierarchical cluster analysis of 4830 DEGs from different time points after topping in tobacco. The samples and treatments are indicated below each column. DEGs are defined by different colors, with the normalized expression levels employing a color gradient from low (blue) to high (red).
title: AI3SD Video: H2020 Project Onto Trans
Creators: name: Simperler, Alexandra
Publisher: name: University of Southampton
Year: 2021
Subjects: subject: AI, AI3SD Event, Chemistry, Data Science, Datasets, Ontologies, OWL, RDF, Research Data Management, Semantic Web, Semantics, SPARQL

description: The OntoTrans project responds to the need of industry to respond to manufacturing challenges more efficiently by accessing the relevant information and utilising materials modelling more effectively. In particular, there is a need to strengthen the use of translation as a router supporting end users to get to relevant data and models. OntoTrans will provide a general-purpose ontology-based Open Translation Environment (OTE) and End User Apps for four innovation challenges, delivering smart guidance for materials producers and product manufacturers through all the steps of the translation process.
Additional file 2 of Effect of Daesiho-tang on obesity with non-alcoholic fatty liver disease: a study protocol for a randomised, double-blind, placebo-controlled pilot trial
Creators: name: Kyungsun Han
name: Ojin Kwon
name: Hyo-Ju Park
name: Jung, So-Young
name: Changsop Yang
name: Chang-Gue Son
Publisher: name: figshare
Year: 2020
Subjects: subject: Physiology
subject: FOS: Biological sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Science Policy
subject: Computational Biology

description: Additional file 2. Questionnaires of the Korean Obesity-related Quality of Life (KOQOL) scale.
Schedule Earth Observation satellites with Deep Reinforcement Learning
Creators: name: Hadj-Salah, Adrien
name: Verdier, Rémi
name: Caron, Clément
name: Picard, Mathieu
name: Capelle, Mikaël
Publisher: name: arXiv
Year: 2019
Subjects: subject: Machine Learning (cs.LG)
subject: Artificial Intelligence (cs.AI)
subject: FOS: Computer and information sciences

description: Optical Earth observation satellites acquire images worldwide , covering up to several million square kilometers every day. The complexity of scheduling acquisitions for such systems increases exponentially when considering the interoperabil-ity of several satellite constellations together with the uncertainties from weather forecasts. In order to deliver valid images to customers as fast as possible, it is crucial to acquire cloud-free images. Depending on weather forecasts, up to 50% of images acquired by operational satellites can be trashed due to excessive cloud covers, showing there is room for improvement. We propose an acquisition scheduling approach based on Deep Reinforcement Learning and experiment on a simplified environment. We find that it challenges classical methods relying on human-expert heuristic.
Experimental and Numerical Study of Molecular Rotational Diffusion in Gel-Like Media
Creators: name: Claeys, Ivan Lode André Maria
Publisher: name: California Institute of Technology
Year: 1988
Subjects: subject: Chemical Engineering
subject: FOS: Chemical engineering
subject: (Chemical Engineering)

description: The hindered rotational diffusion of biopolymers in porous or fibrous media
plays a significant role in many industrial and natural processes. Nuclear magnetic
relaxation experiments can be used to investigate how the gel matrix impedes the
tumbling of molecules trapped in its pores. Indeed, molecular motions influence
the relaxation rate by causing fluctuations of the local magnetic field experienced
by the nuclear spins. Hence a measurement of relaxation times allows one to monitor
the rotational diffusion of rigid molecules in gels and to detect matrix-induced
anisotropic behavior. Experiments examining the 31P relaxation of cGMP trapped
in polyacrylamide gels showed more than a threefold decrease in the rotational diffusion
coefficient when the gel concentration was brought from zero to 30%. Similar
experiments in agarose gels prove that nuclear magnetic relaxation measurements
can effectively be used to extract valuable information about rotational diffusion
inside gels.

A Stokesian dynamics simulation of molecular diffusion in fibrous environments
will complement the experimental studies. The mobility interactions between prolate
spheroids in low Reynolds number linear flows have been derived. The expressions
are exact at the level of forces, torques and stresslets, and the results are cast
in a form suitable for numerical calculations. This extension of Stokesian dynamics
to non-spherical particles forms the groundwork for computationally efficient,
hydrodynamically accurate simulations of suspensions of rodlike particles.
Evidence of universality for the May-Wigner stability theorem for random networks with local dynamics
Creators: name: Sinha, Sitabhra
name: Sinha, Sudeshna
Publisher: name: arXiv
Year: 2004
Subjects: subject: Adaptation and Self-Organizing Systems (nlin.AO)
subject: Statistical Mechanics (cond-mat.stat-mech)
subject: FOS: Physical sciences

description: We consider a random network of nonlinear maps exhibiting a wide range of local dynamics, with the links having normally distributed interaction strengths. The stability of such a system is examined in terms of the asymptotic fraction of nodes that persist in a non-zero state. Scaling results show that the probability of survival in the steady state agrees remarkably well with the May-Wigner stability criterion derived from linear stability arguments. This suggests universality of the complexity-stability relation for random networks with respect to arbitrary global dynamics of the system.
description: 4 pages, 4 figures, minor textual revisions in response to referee comments
Präferenzen betroffener Landwirte für freiwilligen Moorschutz
Creators: name: Latacz-Lohmann, Uwe
name: Breustedt, Gunnar
name: Herrmann, Claus-Christoph
name: Schreiner, Julia
name: Latacz-Lohmann, Uwe
name: Breustedt, Gunnar
name: Herrmann, Claus-Christoph
name: Schreiner, Julia
Publisher: name: Unknown
Year: 2019
Subjects: subject: Environmental Economics and Policy
subject: Land Economics/Use
subject: Resource /Energy Economics and Policy
subject: Agrarumweltpolitik
subject: Discrete Choice Experiment
subject: Moor
subject: Wiedervernässsung
subject: Treibhausgasemissionen

description: Die Nutzung von Moorflächen ist eine der größten Treibhausgasquellen in der deutschen Landwirtschaft. In der vorliegenden Studie wurde mit Hilfe eines Discrete Choice Experimentes untersucht, welche Präferenzen 79 Landwirte mit Grünlandnutzung in norddeutschen Mooren für unterschiedliche Ausgestaltungen von Moorschutzverträgen haben. Die Ergebnisse zeigen, dass Landwirte für Wasserstandanhebungen bis 20 cm unter Flur im Winter und 40 cm im Sommer bei erlaubter organischer Düngung sowie ein Umbruchsverbot bei der Grünlanderneuerung vergleichsweise einfach zu gewinnen sein dürften. Die Durchsetzung von vollständigen Düngungsverboten und die langfristige Unterschutzstellung (20 Jahre oder länger) der Flächen würden in freiwilligen Maßnahmen allerdings teuer werden. Beide Maßnahmen zusammen führen im Durchschnitt der Landwirte zu Zahlungsforderungen von 1000 bis 2000 €/ha pro Jahr. Ein vollständiges Verbot der Grünlanderneuerung kommt mit weiteren ca. 200 €/ha/a hinzu. Eine umbruchlose Nachsaat hingegen wird kaum als Einschränkung gesehen. Ferner scheint es sinnvoll zu sein, die intrinsische Motivation der Landwirte zu berücksichtigen. Boni von bis zu 100 €/ha/a für die Teilnahme arrondierter Flächen sind nicht signifikant. Zusammenfassend hat die Studie für die Gestaltung freiwilliger Moorschutzverträge wichtige Erkenntnisse über die Auflagen geliefert, für die die Landwirte besonders hohe Kompensationen verlangen würden.
Goodness-of-fit tests in many dimensions
Creators: name: van Hameren, A.
Publisher: name: arXiv
Year: 2004
Subjects: subject: Data Analysis, Statistics and Probability (physics.data-an)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: FOS: Physical sciences

description: A method is presented to construct goodness-of-fit statistics in many dimensions for which the distribution of all possible test results in the limit of an infinite number of data becomes Gaussian if also the number of dimensions becomes infinite. Furthermore, an explicit example is presented, for which this distribution as good as only depends on the expectation value and the variance of the statistic for any dimension larger than one.
description: 14 pages