cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Synthesis, virtual screening and computational approach of a quinoxaline derivative as potent anti-HIV agent targeting the reverse transcriptase enzyme
Creators: name: Bakri, Youness El
name: Saravanan, Kandasamy
name: Ahmad, Sajjad
name: Mague, Joel T.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
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: Computational Biology

description: Infection by the human immunodeficiency virus still represents a continuous serious concern and a global threat to human health. Due to the appearance of multi-resistant virus strains and the serious adverse side effects of the antiretroviral therapy administered, there is an urgent need for the development of new treatment agents that are more active, less toxic, and with increased tolerability to mutations. Quinoxaline derivatives are a class of heterocyclic compounds with a wide range of organic and remedial applications. In addition, they are known to significantly inhibit HIV reverse transcriptase (RT) and HIV replication in cell cultures. For these reasons, we are investigating the synthesis and computational studies of quinoxaline derivatives with a focus on their effects on the HIV RT enzyme, and we present here the structure of one such molecule, methyl 2-[(2E)-3-oxo-1,2,3,4-tetrahydroquinoalin-2-ylidene] acetate, which was confirmed by X-ray diffraction studies. In the crystal, N—H···O and C—H···O hydrogen bonds form ribbons whose mean planes are inclined to (111) by 25.69(8)°. The ribbons are formed into stacks by C—H···π(ring) interactions and π-stacking interactions between carbonyl groups. The Hirshfeld surface map allows us to understand the nature of interactions in the contribution to crystal packing. A density functional theory (DFT) calculation was performed to optimize the geometrical parameters and then they were compared with the solid-state phase. The molecular electrostatic potential map displays reactive sites on the surface, which are responsible for intermolecular interaction in the chemical species. Computational molecular docking, in addition to molecular dynamics simulations and MMGB/PBSA binding energy techniques, was used to assess the affinity of the molecule for the HIV reverse transcriptase enzyme. The new quinoxaline derivative is more powerful in terms of binding affinity and binding conformation stability with the HIV reverse transcriptase enzyme, which suggests the molecule is a good candidate for further biological optimization. Communicated by Ramaswamy H. Sarma
title: Raffael auf Porzellan. Ein Porzellanbild der KPM Berlin von 1908
Creators: name: Glaser, Silvia
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 7 (2005): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
title: Neues zum Memminger Bildschnitzer Hans Thoman. Die Rekonstruktion eines Meisterwerks
Creators: name: Kammel, Frank Matthias
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 10 (2006): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
title: Schrein von Cammin (Abformung)
Creators: name: Springer, Tobias
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 8 (2006): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
Кераміка
Creators: name: Кучера, Михайло
Publisher: name: figshare
Year: 2019
Subjects: Archaeology

description: Кучера, М. П. 1975. Кераміка. В: Бібіков, С. М. (гол. ред.). Археологія Української РСР. Т. 3. Довженок, В. Й. (відп. ред.). Ранньослов’янський та давньоруський періоди. Ч. 2. Археологія епохи Київської Русі. ІІІ: Матеріальна культура. Київ: Наукова думка, с. 346–352.
Computational, biochemical and ex vivo evaluation of xanthine derivatives against phosphodiesterases to enhance the sperm motility
Creators: name: Satish, Mutyala
name: Sandhya, Kumari
name: Nitin, Kulhar
name: Kiran, Ninjoor Yashas
name: Aleena, Babu
name: Kumar, Adiga Satish
name: G, Kalthur
name: Rajakumara, Eerappa
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
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: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Developmental Biology
subject: Cancer

description: Enhancing sperm motility in vitro has immensely benefited assisted conception methods. Phosphodiesterases (PDE) break the second messenger cAMP, and therefore, inhibition of their catalytic activity enhances the sperm motility through maintaining cAMP homeostasis in sperm. In view of identifying the molecules that could inhibit PDE functioning in spermatozoa, we aimed to evaluate the phosphodiesterase inhibitors (PDEI) - xanthine derivatives - acefylline, dyphylline and proxyphylline to repurpose them for assisted reproductive technology. These are available in the market as pharmaceutical agents to treat mainly respiratory system diseases. Based on the structure guided in silico studies, we predicted that these molecules bind to the cAMP binding catalytic pocket of PDE enzymes, and further molecular dynamics simulation analysis indicated that these molecules form the stable complexes. Isothermal titration calorimetry studies revealed that acefylline has better affinity towards PDE4A, PDE4D and PDE10A, when compared to dyphylline and proxyphylline. In addition, ex vivo studies corroborated in vitro binding studies that acefylline has much superior sperm motility enhancement property on human ejaculated spermatozoa and mouse testicular spermatozoa compared to dyphylline and proxyphylline. Communicated by Ramaswamy H. Sarma
On the Energy-Momentum Flux in Gödel-type Models
Creators: name: Ulhoa, S. C.
name: Santos, A. F.
name: Amorim, R. G. G.
Publisher: name: arXiv
Year: 2013
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: In this paper we work in the context of Teleparallelism Equivalent to General Relativity (TEGR) in order to construct the energy-momentum flux for Gödel-type solutions of Einstein's equations. We use an stationary observer, which is settled by the tetrad choice, to obtain the gravitational pressure for each direction of space in cartesian coordinates. Then we write down the total pressure for each direction in terms of the pressure of the fluid, thus we are able to identify role of the gravitational pressure.
Effect of interdependence on team effectiveness during design problem-solving in first-year engineering
Creators: name: Baligar, Preethi
name: Joshi, Gopalkrishna
name: Shettar, Ashok
name: Kandakatla, Rohit
name: Patil, Preethi
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy
subject: 111714 Mental Health
subject: FOS: Health sciences

description: This quasi-experimental study presents the integration of cooperative learning pedagogy with the tasks of the engineering design process at a first-year interdisciplinary design course for undergraduate engineering students at a private engineering university in India. With a sample of 118 students, 59 each in the experimental group and control group, the integration presented as four interventions were tested for their effectiveness in two aspects: performance in the three tasks of the engineering design process: problem definition, concept generation and detailed design, and satisfaction with team interpersonal processes and, individual wellbeing and learning. The performance was measured using rubrics-based assessment, and satisfaction was measured using two subscales of a team diagnostic survey after demonstrating its validity and reliability. Results revealed significant differences in performance between the two groups with large to medium effect sizes. While cooperative learning brings members together at a level that increases interdependencies, often leading to arguments and conflicts, the proposed interventions yielded contrary results. Despite increased interdependence, the interventions did not lead to statistically significant between-group differences in team interpersonal processes and individual wellbeing and learning. Thus, this study has important implications for how engineering educators structure interdependencies between students in courses focusing on design problem-solving.
Control of dissipation in superconducting films by magnetic stray fields
Creators: name: Gomez, A.
name: Gilbert, D. A.
name: Gonzalez, E. M.
name: Liu, Kai
name: Vicent, J. L.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: Hybrid superconducting/magnetic nanostructures on Si substrates have been built with identical physical dimensions but different magnetic configurations. By constructing arrays based on Co-dots with in-plane, out-of-plane, and vortex state magnetic configurations, the stray fields are systematically tuned. Dissipation in the mixed state of superconductors can be decreased (increased) by several orders of magnitude by decreasing (increasing) the stray magnetic fields. Furthermore, ordering of the stray fields over the entire array helps to suppress dissipation and enhance commensurability effects increasing the number of dissipation minima.
description: 16 pages including 4 figures; accepted in Applied Physics Letters
Prediction of binding affinity of 1,2-diphenyline ketone analogues at adenosine triphosphate binding site of glycogen synthase kinase-3β: a molecular docking and dynamic simulation study
Creators: name: Dinakar, Subramaniyan
name: Gurubarath, Mani
name: Dhananjayan, Karthik
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Neuroscience
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Glycogen synthase kinase (GSK)-3β is one of the downstream signalling molecules involved in phosphorylation of glycogen synthase, a key enzyme involved in the synthesis of glycogen from glucose. GSK-3β regulate some of the critical processes underlying structural and functional synaptic plasticity of neurons. Down regulation or inhibition of GSK-3β enhances long-term potentiation and cognitive functions in animal models of Alzheimer’s disease, Parkinson’s disease, and amyotrophic lateral sclerosis. A number of compounds are available to inhibit GSK-3β, however none of them are in clinical practice to treat neurodegenerative diseases. The aim of our study was to predict the molecular interaction and dynamic behaviour of naturally occurring 1,2-diphenyline ketone analogues at the adenosine triphosphate binding site of glycogen synthase kinase (GSK)-3β through simulation studies. Out of all 1,2-diphenyline ketone analogues,1, 3, 5, 6-Tetrahydroxyxanthone (Rank = 1), Secalonic acid F (Rank = 2), and Trihydroxy-2-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-butenyl) xanthone (Rank = 3) were found to exhibit lowest docking score of −12.07, −11.49, and −11.24 kcal/mol with dissociation constant of 1.37, 3.84, and 5.99 nM, respectively. The molecular dynamic simulation of rank 1 and rank 3 ligands indicated stable interaction throughout the simulation and interaction analyses has shown that the presence of hydroxyl groups at C1, C3, C5, and C6 around 1,2 diphenyline ketone nucleus to influence their binding affinity at the ATP-binding site of GSK-3β. We predicted that 1,3,5,6-Tetrahydroxyxanthone and 1, 3, 6-Trihydroxy-2-(2,3-dihydroxy-3-methylbutyl)-7-methoxy-8-(3-methyl-2-butenyl) xanthone may act as a potential ligand or lead compound to inhibit GSK-3β and also may play an important role in alleviating neurodegenerative diseases. Communicated by Ramaswamy H. Sarma
Antimalarial phytochemicals as potential inhibitors of SARS-CoV-2 guanine N7-methyltransferase (nsp 14): an integrated computational approach
Creators: name: Gyebi, Gideon A.
name: Ogunyemi, Oludare M.
name: Adefolalu, Adedotun A.
name: López-Pastor, Juan F.
name: Banegas-Luna, Antonio J.
name: Rodríguez-Martínez, Alejandro
name: Pérez-Sánchez, Horacio
name: Adegunloye, Adegbenro P.
name: Ogunro, Olalekan B.
name: Afolabi, Saheed O.
name: Baazeem, Alaa
name: Alotaibi, Saqer S.
name: Batiha, Gaber El-Saber
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Molecular Biology
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Computational Biology

description: The inhibition of capping enzymes such as guanine-N7-methyltransferase (GMT) is an attractive target for regulating viral replication, transcription, virulence, and pathogenesis. Thus, compounds that target the Severe Acute Respiratory Syndrome Corona Virus 2 GMT (S2GMT) will enhance drug development against COVID-19. In this study, an in-house library of 249 phytochemicals from African medicinal plants was screened using computational approaches including homology modeling, molecular docking, molecular dynamic simulations, binding free energy calculations based on molecular mechanics/Poisson-Boltzmann surface area (MMPBSA) and Absorption-Distribution-Metabolism-Excretion-Toxicity (ADMET) analysis for inhibitors of S2GMT. The top-ten ranked phytochemicals (TTRP) obtained from the docking analysis to S2GMT were further docked to SARS-COV N7-MTase. Among the TTRP, the top-four ranked phytocompounds (TFRP) viz: 3 alkaloids (Isocryptolepine, 10’–Hydroxyusambarensine and Isostrychnopentamine) and a flavonoid (Mulberrofuran F) interacted strongly with critical catalytic residues whose interference either reduce or completely abolish N7-MTase activity, indicating their potential as capping machinery disruptors. The interactions of TFRP with the catalytic residues of S2GMT were preserved in a 100 ns simulated dynamic environment, thereby, demonstrating high degree of structural stability. The MMPBSA binding free energy calculations corroborated the docking scores with biscryptolepine having the highest binding free energy to S2GMT. The TFRP showed favourable drug-likeness and ADMET properties over a wide range of molecular descriptors. Therefore, the TFRP can be further explored as potential S2GMT inhibitors in in vitro and in vivo experiments. Communicated by Ramaswamy H. Sarma
title: Zwei Passions-Reliefs von der Sebalduskirche. Zeugnisse der Nürnberger Steinskulptur des 15. Jahrhunderts
Creators: name: Kammel, Frank Matthias
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 13 (2007): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
title: Aktuelle Ausstellungen / Impressum
Creators: name: Redaktion, Die
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 14 (2007): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
A J-band detection of the sub-stellar mass donor in SDSS J1433+1011
Creators: name: Littlefair, S. P.
name: D., C.
name: Savoury, J.
name: Dhillon, V. S.
name: Marsh, T. R.
name: Gaensicke, B. T.
name: Butterley, T.
name: Wilson, R. W.
name: Southworth, J.
name: Watson, C. A.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: FOS: Physical sciences

description: We present time-resolved J-band spectroscopy of the short period cataclysmic variable SDSS J143317.78+101123.3. We detect absorption lines from the sub-stellar donor star in this system, which contributes 38 +/- 5% to the J-band light. From the relative strengths of the absorption lines in the J-band, we estimate the spectral type of the donor star to be L2 +/- 1. These data are the first spectroscopic detection of a confirmed sub-stellar donor in a cataclysmic variable, and the spectral type is consistent with that expected from semi-empirical evolutionary models. Using skew mapping, we have been able to derive an estimate for the radial velocity of the donor of Kd = 520 +/- 60 km/s. This value is consistent with, though much less precise than, predictions from mass determinations found via photometric fitting of the eclipse light curves.
description: 6 pages, 4 figures. Accepted for publication in Monthly Notices of the Royal Astronomical Society
title: Zimmerzier im Wilhelminischen Reich. Bronzestatuette „Mutter mit Kind“ von Johannes Boese
Creators: name: Peters, Ursula
Publisher: name: University Library Heidelberg
Year: 2015

description: KulturGut : aus der Forschung des Germanischen Nationalmuseums, Nr. 21 (2009): KulturGut : aus der Forschung des Germanischen Nationalmuseums, Beginn und Erscheinungsfrequenz: Jahr: 2004
Пам’ятки побуту та прикраси
Creators: name: Кучера, Михайло
Publisher: name: figshare
Year: 2019
Subjects: Archaeology

description: Кучера, М. П. 1975. Пам’ятки побуту та прикраси. В: Бібіков, С. М. (гол. ред.). Археологія Української РСР. Т. 3. Довженок, В. Й. (відп. ред.). Ранньослов’янський та давньоруський періоди. Ч. 2. Археологія епохи Київської Русі. ІІІ: Матеріальна культура. Київ: Наукова думка, с. 361–373.
Molecular insights into binding dynamics of tandem RNA recognition motifs (tRRMs) of human antigen R (HuR) with mRNA and the effect of point mutations in impaired HuR-mRNA recognition
Creators: name: Agarwal, Ankita
name: Alagar, Suresh
name: Kant, Shri
name: Bahadur, Ranjit Prasad
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: 111714 Mental Health
subject: FOS: Health sciences
subject: 110309 Infectious Diseases
subject: Computational Biology

description: Human antigen R (HuR) is a key regulatory protein with prominent roles in RNA metabolism and post-transcriptional gene regulation. Many studies have shown the involvement of HuR in plethora of human diseases, which are often manifestations of impaired HuR-RNA interactions. However, the inherent complexities of highly flexible protein-RNA interactions have limited our understanding of the structural basis of HuR-RNA recognition. In this study, we dissect the underlying molecular mechanism of interaction between N-terminal tandem RNA-recognition motifs (tRRMs) of HuR and mRNA using molecular dynamics simulation. We have also explored the effect of point mutations (T90A, R97A and R136A) of three reported critical residues in HuR-mRNA binding specificity. Our findings show that N-terminal tRRMs exhibit conformational stability upon RNA binding. We further show that R136A and R97A mutants significantly lose their binding affinity owing to the loss of critical interactions with mRNA. This may be attributed to the larger domain rearrangements in the mutant complexes, especially the β2β3 loops in both the tRRMs, leading to unfavourable conformations and loss of binding affinity. We have identified critical binding residues in tRRMs of HuR, contributing favourable binding energy in mRNA recognition. This study contributes significantly to understand the molecular mechanism of RNA recognition by tandem RRMs and provides a platform to modulate binding affinities through mutations. This may further guide in future structure-based drug-therapies targeting impaired HuR-RNA interactions. Communicated by Ramaswamy H. Sarma
Quality of Service in Wireless Cellular Networks Subject to Log-Normal Shadowing
Creators: name: Blaszczyszyn, Bartlomiej
name: Karray, Mohamed Kadhem
Publisher: name: arXiv
Year: 2013
Subjects: subject: Networking and Internet Architecture (cs.NI)
subject: Probability (math.PR)
subject: FOS: Computer and information sciences
subject: FOS: Mathematics

description: Shadowing is believed to degrade the quality of service (QoS) in wireless cellular networks. Assuming log-normal shadowing, and studying mobile's path-loss with respect to the serving base station (BS) and the corresponding interference factor (the ratio of the sum of the path-gains form interfering BS's to the path-gain from the serving BS), which are two key ingredients of the analysis and design of the cellular networks, we discovered a more subtle reality. We observe, as commonly expected, that a strong variance of the shadowing increases the mean path-loss with respect to the serving BS, which in consequence, may compromise QoS. However, in some cases, an increase of the variance of the shadowing can significantly reduce the mean interference factor and, in consequence, improve some QoS metrics in interference limited systems, provided the handover policy selects the BS with the smallest path loss as the serving one. We exemplify this phenomenon, similar to stochastic resonance and related to the "single big jump principle" of the heavy-tailed log-nornal distribution, studying the blocking probability in regular, hexagonal networks in a semi-analytic manner, using a spatial version of the Erlang's loss formula combined with Kaufman-Roberts algorithm. More detailed probabilistic analysis explains that increasing variance of the log-normal shadowing amplifies the ratio between the strongest signal and all other signals thus reducing the interference. The above observations might shed new light, in particular on the design of indoor communication scenarios.
From EGEE OPerations Portal towards EGI OPerations Portal
Creators: name: Cordier, Hélène
name: L'Orphelin, Cyril
name: Reynaud, Sylvain
name: Lequeux, Olivier
name: Loikkanen, Sinika
name: Veyre, Pierre
Publisher: name: arXiv
Year: 2013
Subjects: subject: Software Engineering (cs.SE)
subject: Distributed, Parallel, and Cluster Computing (cs.DC)
subject: FOS: Computer and information sciences

description: EGEE to EGI structure based on NGIs evolution induces a large move from the operations that will rely on a sustainable and largely decentralized model. One of the key evolutions for the challenge in the regionalisation relies in the scalability and the flexibility required regarding information source types and information handling. For 5 years, we have developed and maintained a standard-based component that allows us to address both theses issues. This open-source tool, named Lavoisier, has been a critical success factor for the operations dashboard, one of the Operations Portal main features. Indeed, it enables coherent efficient and reliable data handling which is customizable and scalable, as Lavoisier is an extensible service designed to provide a unified view of data collected from multiple heterogeneous data sources. Data views are represented and accessed as XML documents through standard languages such as XSLT, XPath. Moreover, scalability and reliability are enforced by a caching mechanism adaptable to specific data sources and use-cases. We will namely expose how the concept and the implementation enable clear roles separation between plug-in developer, service configuration administrator or end-user. Also, maintainability of the portal code has increased dramatically as the latter is now independent from the data sources technology or from the cache management policies. Finally, integration of data has recently been simplified as the service administrator proceeds now through web interfaces
description: arXiv admin note: text overlap with arXiv:1301.0523
title: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 1, Nr. 2 (1972)
Creators: name: Denkmalpflege In Baden-Württemberg – Nachrichtenblatt Der Landesdenkmalpflege
Publisher: name: University Library Heidelberg
Year: 2014

description: Inhalt
 In Sachen Nachrichtenblatt...1
 Die baden-württembergischen Denkmalpfleger (2)...2-9
 Die katholische Pfarrkirche St. Peter und Paul in Grünsfeld, Kreis Tauberbischofsheim. Ihre bauliche Erweiterung und Restaurierung...10-18
 Denkmalpflege an Burgen und Schlössern. Beispiele aus dem Landkreis Heidenheim...19-33
 Die bauliche Sanierung des Blauen Turmes in Bad Wimpfen...34-37
 Ein römischer Gutshof bei Inzigkofen, Kreis Sigmaringen...38-40
 [Kleine Arbeitsberichte] Die evangelische Dreifaltigkeitskirche in Leutkirch. Nachruf auf einen Innenraum des 19. Jahrhunderts...41-42
 Max Schefold: Alte Ansichten aus Baden [...] Anton H. Konrad Verlag, Weißenhorn b. Ulm. 1971 ; Quellennachweis für die Abbildungen...43-44
 [Beilage] Denkmalpflege und Steuerrecht. Steuererleichterungen für Maßnahmen zur Erhaltung von Kulturdenkmalen...I-VIII
 DIE DIENSTSTELLEN des LANDESDENKMALAMTES
 BUCHVERÖFFENTLICHUNGEN des LANDESDENKMALAMTES BADEN-WÜRTTEMBERG
Spectral multipliers on Heisenberg-Reiter and related groups
Creators: name: Martini, Alessio
Publisher: name: arXiv
Year: 2012
Subjects: subject: Analysis of PDEs (math.AP)
subject: Functional Analysis (math.FA)
subject: FOS: Mathematics
subject: 43A22, 42B15

description: Let $L$ be a homogeneous sublaplacian on a 2-step stratified Lie group $G$ of topological dimension $d$ and homogeneous dimension $Q$. By a theorem due to Christ and to Mauceri and Meda, an operator of the form $F(L)$ is bounded on $L^p$ for $1 < p < \infty$ if $F$ satisfies a scale-invariant smoothness condition of order $s > Q/2$. Under suitable assumptions on $G$ and $L$, here we show that a smoothness condition of order $s > d/2$ is sufficient. This extends to a larger class of 2-step groups the results for the Heisenberg and related groups by Müller and Stein and by Hebisch, and for the free group $N_{3,2}$ by Müller and the author.
Предмети імпорту
Creators: name: Кучера, Михайло
Publisher: name: figshare
Year: 2019
Subjects: Archaeology

description: Кучера, М. П. 1975. Предмети імпорту. В: Бібіков, С. М. (гол. ред.). Археологія Української РСР. Т. 3. Довженок, В. Й. (відп. ред.). Ранньослов’янський та давньоруський періоди. Ч. 2. Археологія епохи Київської Русі. ІІІ: Матеріальна культура. Київ: Наукова думка, с. 373–376.
Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein
Creators: name: Savva, Loizos
name: Platts, James A.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Neuroscience
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences
subject: Cancer
subject: Plant Biology
subject: Computational Biology

description: We report conventional and accelerated molecular dynamics simulations of α-Synuclein, designed to assess performance of using different starting conformation, solvation environment and force field combination. Backbone and sidechain chemical shifts, radius of gyration, presence of β-hairpin structures in KTK(E/Q)GV repeats and secondary structure percentages were used to evaluate how variations in forcefield, solvation model and simulation protocol provide results that correlate with experimental findings. We show that with suitable choice of forcefield and solvent, ff03ws and OBC implicit model, respectively, acceptable reproduction of experimental data on size and secondary structure is obtained by both conventional and accelerated MD. In contrast to the implicit solvent model, simulations in explicit TIP4P/2005 solvent do not properly represent size or secondary structure of α-Synuclein. Communicated by Ramaswamy H. Sarma
title: Eine moderne Reformuniversität als Kulturdenkmal. Zur Erfassung der Universität Konstanz und zu ihrem denkmalpflegerischen Umgang
Creators: name: Mienhardt, Frank
Publisher: name: University Library Heidelberg
Year: 2015

description: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 44, Nr. 1 (2015), Beginn und Erscheinungsfrequenz: Ausgaben pro Band: 4
title: Haus zu verschenken! Holzhaus in Fertigbauweise von 1927
Creators: name: Geiger-Schmidt, Edeltrud
Publisher: name: University Library Heidelberg
Year: 2015

description: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 44, Nr. 1 (2015), Beginn und Erscheinungsfrequenz: Ausgaben pro Band: 4
The two-component Camassa-Holm system in weighted $L_p$ spaces
Creators: name: Kohlmann, Martin
Publisher: name: arXiv
Year: 2013
Subjects: subject: Analysis of PDEs (math.AP)
subject: Mathematical Physics (math-ph)
subject: FOS: Mathematics
subject: FOS: Physical sciences
subject: 35Q35, 34A12, 35B40

description: We present some new persistence results for the non-periodic two-component Camassa-Holm (2CH) system in weighted $L_p$ spaces. Working with moderate weight functions that are commonly used in time-frequency analysis, the paper generalizes some recent persistence results for the Camassa-Holm equation [L. Brandolese, Int. Math. Res. Notices 22 (2012) 5161-81] to its supersymmetric extension. As an application we discuss the spatial asymptotic profile of solutions to 2CH.
description: 12 pages, to appear in ZAMM
Experimental and theoretical evaluation of N-pyridoxal-salicylic acid hydrazide derived copper(II) complex with 2-methylimidazole
Creators: name: Vishwakarma, Pradeep Kumar
name: Jaget, Pushpendra Singh
name: Parte, Mahendra Kumar
name: Maurya, Ram Charitra
name: Rajak, Deepak Kumar
name: Chanpuria, Aniteshma
name: Shukla, Abhilasha
name: Ali, Ahad
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Space Science
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: 80699 Information Systems not elsewhere classified
subject: FOS: Computer and information sciences

description: This article deals with the experimental and theoretical evaluations of N-pyridoxal-salicylic acid hydrazide (H2pd-sah) 1 and its mixed-ligand copper(II) complex with 2-methylimidazole, [Cu(pd-sah)(MeImdH)] 2. The compounds were characterized based on spectral (UV/Vis. IR) methods, powder-XRD, elemental analysis, and molar conductivity measurements. Both compounds' molecular structure and charge analysis were computed through B3LYP with 6-311 G (d, p) and LANL2DZ basic set using the Gaussian 09 W program package. The time-dependent density functional theory (TD-DFT) approach is used in gas-phase electronic transitions of 2 using the LANL2DZ basis set. Also, the computed UV-Vis based upon TD-DFT results and IR spectra were simulated for comparison with the experimental ones. The molecular structure based on theoretical investigation reveals that compound 2 adopts a distorted square planer N2O2 coordination sphere around the Cu(II). The ONO donor atoms of hydrazone moiety and one nitrogen of 2-methylimidazole constitute the N2O2 basal plane. Moreover, the in-vitro antioxidant activity was evaluated by DPPH assay in both compounds. In addition, Molecular docking studies were performed to predict the binding interaction between compound 2 and the Human Serum Albumin HSA (PDB ID: 1H9Z). Communicated by Ramaswamy H. Sarma
Quick-MESS: A fast statistical tool for Exoplanet Imaging Surveys
Creators: name: Bonavita, Mariangela
name: de Mooij, Ernst J. W.
name: Jayawardhana, Ray
Publisher: name: arXiv
Year: 2013
Subjects: subject: Instrumentation and Methods for Astrophysics (astro-ph.IM)
subject: Earth and Planetary Astrophysics (astro-ph.EP)
subject: FOS: Physical sciences

description: Several tools have been developed in the past few years for the statistical analysis of the exoplanet search surveys, mostly using a combination of Monte-Carlo simulations or a Bayesian approach.Here we present the Quick-MESS, a grid-based, non-Monte Carlo tool aimed to perform statistical analyses on results from and help with the planning of direct imaging surveys. Quick-MESS uses the (expected) contrast curves for direct imaging surveys to assess for each target the probability that a planet of a given mass and semi-major axis can be detected. By using a grid-based approach Quick-MESS is typically more than an order of magnitude faster than tools based on Monte-Carlo sampling of the planet distribution. In addition, Quick-MESS is extremely flexible, enabling the study of a large range of parameter space for the mass and semi-major axes distributions without the need of re-simulating the planet distribution. In order to show examples of the capabilities of the Quick-MESS, we present the analysis of the Gemini Deep Planet Survey and the predictions for upcoming surveys with extreme-AO instruments.
description: keywords: Stars, Extrasolar Planets, Data Analysis and Techniques
title: Nebeneinander in Kloster Bronnbach: die Bildnisse eines Werkmeisters und einer Frau. Versuch einer Deutung und Einordnung in die mittelalterliche Bildnisskulptur
Creators: name: Breuer, Judith
Publisher: name: University Library Heidelberg
Year: 2015

description: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 44, Nr. 1 (2015), Beginn und Erscheinungsfrequenz: Ausgaben pro Band: 4
title: Karlheinz Fuchs: Häuser der Ewigkeit. Jüdische Friedhöfe im südlichen Württemberg. Geleitwort von Ministerpräsident Winfried Kretschmann. Darmstadt: Wissenschaftliche Buchgesellschaft, 2014, 207 S., 160 Abb., ISBN 978-3-8062-2951-6
Creators: name: Gönner, Gerhard
Publisher: name: University Library Heidelberg
Year: 2015

description: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 44, Nr. 1 (2015), Beginn und Erscheinungsfrequenz: Ausgaben pro Band: 4
title: Nachruf Udelgard Körber-Grohne
Creators: name: Redaktion, Die
Publisher: name: University Library Heidelberg
Year: 2015

description: Denkmalpflege in Baden-Württemberg – Nachrichtenblatt der Landesdenkmalpflege, Bd. 44, Nr. 1 (2015), Beginn und Erscheinungsfrequenz: Ausgaben pro Band: 4
Extendibility of bilinear forms on Banach sequence spaces
Creators: name: Carando, Daniel
name: Sevilla-Peris, Pablo
Publisher: name: arXiv
Year: 2012
Subjects: subject: Functional Analysis (math.FA)
subject: FOS: Mathematics

description: We study Hahn-Banach extensions of multilinear forms defined on Banach sequence spaces. We characterize $c_0$ in terms of extension of bilinear forms, and describe the Banach sequence spaces in which every bilinear form admits extensions to any superspace.
Results of metallographic analysis of the QUENCH-20 bundle with B₄C absorber
Creators: name: Stuckert, Juri
name: Peters, U.
name: Stegmaier, Ulrike
name: Steinbrück, Martin
Publisher: name: Karlsruher Institut für Technologie (KIT)
Year: 2022
Subjects: BWR test bundle
cladding oxidation
eutectic melt relocation
reflood
temperature escalation

description: Experiment QUENCH-20 with BWR geometry simulation bundle was conducted at KIT on 9th October 2019 in the framework of the international SAFEST project. The test bundle mock-up represented one quarter of a BWR fuel assembly with 24 electrically heated fuel rod simulators and two B4C control blades. The rod simulators were filled with Kr to inner pressure of 5.5 bar at peak cladding temperature of 900 K. The pre-oxidation stage in the flowing gas mixture of steam and argon (each 3 g/s) and system pressure of 2 bar lasted 4 hours at the peak cladding temperature of 1250 K. During the following transient stage, the bundle was heated to a maximal temperature of 2000 K. The cladding radial extensions and failures due to inner overpressure (about 4 bar) were observed at temperature about 1700 K and lasted about 200 s. During the period of rod failures also the first absorber melt relocation accompanied by shroud failure were registered. The interaction of B4C with steel blade and ZIRLO channel box was observed at elevations 650…950 mm with formation of eutectic melt. The typical components of this melt are (Fe, Cr) borides and ZrB2 precipitated in steel or in Zr-steel eutectic melt. Massive absorber melt relocation was observed 50 s before the end of transition stage. Small fragments of the absorber melt moved down to the elevation of 50 mm. The test was terminated with the quench water injected with a flow rate of 50 g/s from the bundle bottom. Fast temperature escalation from 2000 to 2300 K during 20 s was observed. As result, the metal part (prior β-Zr) of claddings between 550 and 950 mm was melted, partially released into space between rods and partially relocated in the gap between pellet and outer oxide layer to 450 mm. The bundle elevations 850 and 750 mm are mostly oxidized with average cladding ECR 33%.
Reverse vaccinology-based prediction of a multi-epitope SARS-CoV-2 vaccine and its tailoring to new coronavirus variants
Creators: name: Ezzemani, Wahiba
name: Kettani, Anass
name: Sappati, Subrahmanyam
name: Kondaka, Kavya
name: Ossmani, Hicham El
name: Tsukiyama-Kohara, Kyoko
name: Altawalah, Haya
name: Saile, Rachid
name: Kohara, Michinori
name: Benjelloun, Soumaya
name: Ezzikouri, Sayeh
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Biotechnology
subject: Immunology
subject: FOS: Clinical medicine
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
subject: 60506 Virology

description: The genome feature of SARS-CoV-2 leads the virus to mutate and creates new variants of concern. Tackling viral mutations is also an important challenge for the development of a new vaccine. Accordingly, in the present study, we undertook to identify B- and T-cell epitopes with immunogenic potential for eliciting responses to SARS-CoV-2, using computational approaches and its tailoring to coronavirus variants. A total of 47 novel epitopes were identified as immunogenic triggering immune responses and no toxic after investigation with in silico tools. Furthermore, we found these peptide vaccine candidates showed a significant binding affinity for MHC I and MHC II alleles in molecular docking investigations. We consider them to be promising targets for developing peptide-based vaccines against SARS-CoV-2. Subsequently, we designed two efficient multi-epitopes vaccines against the SARS-CoV-2, the first one based on potent MHC class I and class II T-cell epitopes of S (FPNITNLCPF–NYNYLYRLFR–MFVFLVLLPLVSSQC), M (MWLSYFIASF–GLMWLSYFIASFRLF), E (LTALRLCAY–LLFLAFVVFLLVTLA), and N (SPRWYFYYL–AQFAPSASAFFGMSR). The second candidate is the result of the tailoring of the first designed vaccine according to three classes of SARS-CoV-2 variants. Molecular docking showed that the protein-protein binding interactions between the vaccines construct and TLR2–TLR4 immune receptors are stable complexes. These findings confirmed that the final multi-epitope vaccine could be easily adapted to new viral variants. Our study offers a shortlist of promising epitopes that can accelerate the development of an effective and safe vaccine against the virus and its adaptation to new variants. Communicated by Ramaswamy H. Sarma
Stimulated adiabatic passage in a dissipative Rydberg superatom
Creators: name: Petrosyan, David
name: Molmer, Klaus
Publisher: name: arXiv
Year: 2013
Subjects: subject: Quantum Physics (quant-ph)
subject: Atomic Physics (physics.atom-ph)
subject: FOS: Physical sciences

description: We study two-photon excitation of Rydberg states of atoms under stimulated adiabatic passage with delayed laser pulses. We find that the combination of strong interaction between the atoms in Rydberg state and the spontaneous decay of the intermediate exited atomic state leads to the Rydberg excitation of precisely one atom within the atomic ensemble. The quantum Zeno effect offers a lucid interpretation of this result: the Rydberg blocked atoms repetitively scattering photons effectively monitor a randomly excited atom which therefore remains in the Rydberg state. This system can be used for deterministic creation and, possibly, extraction of Rydberg atoms or ions one at a time. The sympathetic monitoring via decay of ancilla particles may find wider applications for state preparation and probing of interactions in dissipative many-body systems.
The paradox of the many-state catastrophe of fundamental limits and the three-state conjecture
Creators: name: Shafei, Shoresh
name: Kuzyk, Mark G.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Optics (physics.optics)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: The calculation of the fundamental limits of nonlinear susceptibilities posits that when a quantum system has a nonlinear response at the fundamental limit, only three energy eigenstates contribute to the first and second hyperpolarizability. This is called the three-level ansatz and is the only unproven assumption in the theory of fundamental limits. All calculations that are based on direct solution of the Schrodinger equation yield intrinsic hyperpolarizabilities less than 0.709 and intrinsic second hyperpolarizabilities less than 0.6. In this work, we show that relaxing the three-level ansatz and allowing an arbitrary number of states to contribute leads to divergence of the optimized intrinsic hyperpolarizability in the limit of an infinite number of states - what we call the many-state catastrophe. This is not surprising given that the divergent systems are most likely not derivable from the Schrodinger equation, yet obey the sum rules. The sums rules are the second ingredient in limit theory, and apply also to systems with more general Hamiltonians. These exotic Hamiltonians may not model any real systems found in nature. Indeed, a class of transition moments and energies that come form the sum rules do not have a corresponding Hamiltonian that is expressible in differential form. In this work, we show that the three-level ansatz acts as a constraint that excludes many of the nonphysical Hamiltonians and prevents the intrinsic hyperpolarizability from diverging. We argue that this implies that the true fundamental limit is smaller than previously calculated. Since the three-level ansatz does not lead to the largest possible nonlinear response, contrary to its assertion, we propose the intriguing possibility that the three-level ansatz is true for any system that obeys the Schrodinger equation, yet this assertion may be unprovable.
Computational discovery of small drug-like compounds as potential inhibitors of PD-1/PD-L1 interactions
Creators: name: Urban, Viktor A.
name: Davidovskii, Alexander I.
name: Veresov, Valery G.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
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: Cancer

description: The programmed cell death ligand protein 1 (PD-L1) is a strong immunosuppressive molecule that inactivates tumor-specific T cells by binding to the programmed cell death- 1 protein (PD-1). Cancer immunotherapy based on the monoclonal antibodies targeting the PD-1/PD-L1 pathway has demonstrated therapeutic responses without precedent over a wide range of cancers. However, the antibody-based immunotherapies have several limitations such as high production cost or the induction of severe immune-related adverse effects. Small-molecule inhibitors of the PD-1/PD-L1 pathway are a promising alternative or complementary therapeutic to antibodies. Currently, the field of developing anti-PD-1/PD-L1 small-molecule inhibitors is intensively explored. In the present study a pharmacophore model was generated based on previously developed compounds and their atomistic structures with the PD-L1 dimer. Structure-based affinity-based virtual screening of small-molecule inhibitors of the PD-1/PD-L1 pathway according to the pharmacophore model followed by a screening in terms of drug-likeness resulted in ten hit compounds of high affinity towards the PD-L1 dimer and the satisfaction to all of the drug-likeness rules. Molecular dynamics (MD) simulations showed that nine of ten compounds formed stable complexes with the PD-L1 dimer as evidenced by the analysis of MD trajectories. Molecular mechanics Poisson- Boltzmann surface area (MM-PBSA) calculation revealed very low binding energies (<-46 kcal/mol) for the interactions of these ligands with the PD-L1 dimer, suggesting that identified compounds may serve as good scaffolds for the design of novel agents of antitumor immunotherapy able to target the PD-1/PD-L1 interaction Communicated by Ramaswamy H. Sarma
Fine structure of the lowest Landau level in suspended trilayer graphene
Creators: name: van Elferen, H. J.
name: Veligura, A.
name: Tombros, N.
name: Kurganova, E. V.
name: van Wees, B. J.
name: Maan, J. C.
name: Zeitler, U.
Publisher: name: arXiv
Year: 2013
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: Magneto-transport experiments on ABC-stacked suspended trilayer graphene reveal a complete splitting of the twelve-fold degenerated lowest Landau level, and, in particular, the opening of an exchange-driven gap at the charge neutrality point. A quantitative analysis of distinctness of the quantum Hall plateaus as a function of field yields a hierarchy of the filling factors: ν=6, 4, and 0 are the most pronounced, followed by ν=3, and finally ν=1, 2 and 5. Apart from the appearance of a ν=4 state, which is probably caused by a layer asymmetry, this sequence is in agreement with Hund's rules for ABC-stacked trilayer graphene.