cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Spectrin: an alternate target for cytoskeletal drugs
Creators: name: Dutta, Sansa
name: Bose, Dipayan
name: Ghosh, Semanti
name: Chakrabarti, Abhijit
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
classificationCode: 29999
subject: Physical Sciences not elsewhere classified
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Neuroscience
subject: Pharmacology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Cytoskeletal drugs having enormous therapeutic potential act on the cytoskeletal components like actin, tubulin either by promoting polymerization or destabilizing the same. Here we present the interaction of the popular cytoskeletal drugs such as taxol, latrunculin and cytochalasin with spectrin, a huge protein with multi domains that forms the cytoskeletal network. Particularly, the actin binding domain of spectrin regulates the dynamics of the actin cytoskeleton. We followed the binding of these drugs to its actin binding domain and intact spectrin as well. These drugs bind with moderate affinity (Kb ∼ 104 M−1) and the interaction with actin binding domain is entropy driven and hydrophobic in nature as determined by Van’t Hoff plot. The docking studies and molecular dynamics simulations further corroborate the experimental findings. Particularly the higher binding constants in the case of latrunculin and cytochalasin to the actin binding domain of spectrin suggest the binding sites are presumably located in its actin binding domain. Communicated by Ramaswamy H. Sarma
title: Prädiktoren für das Überleben ohne Pflegeheimeinweisung 1 Jahr nach proximaler Femurfraktur – eine prospektive Studie zur Entwicklung des Marburg Rehabilitation Tool for Hip fractures (MaRTHi)
Creators: name: Bücking, Benjamin
name: Eschbach, Daphne
name: Knobe, Matthias
name: Oberkircher, Ludwig
name: Sielski, Robert
name: Doering, Bettina
name: Ruchholtz, Steffen
name: Bliemel, Christopher
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Fragestellung: Proximale Femurfrakturen sind typische Frakturen bei älteren Patienten, deren Inzidenz stetig zunimmt. Ihre Therapie ist gemäß der aktuellen Literatur weiterhin mit einer hohen Mortalitäts- und Institutionalisierungsrate assoziiert. Ziel der prospektiven Studie war[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2016)
The impact of corruption on green innovation: the case of OECD and non-OECD countries
Creators: name: Zakari, Abdulrasheed
name: Tawiah, Vincent
name: Oyewo, Babajide
name: Alvarado, Rafael
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental 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: This study examines the effect of corruption on green innovation. We employed a panel corrected standard error (PCSE) and robust checking system generalized moment of method (S-GMM) model on a panel sample of 61 OECD and non-OECD countries between 2010 and 2018. Our results show that corruption is significant and positively related to green innovation in 61 countries. Similarly, we find that corruption has an increasing impact on green innovation in non-OECD countries. However, in OECD countries, corruption reduces the likelihood of attaining green innovation. Our results are robust to alternative estimation. Therefore, our results extend the green innovation literature and informed policymakers of the need to pay attention to the effect of corruption.
Das sogenannte Glaubensbekenntnis des Reimser Konsistoriums von 1148
Creators: name: Häring, Nikolaus
Publisher: name: Scholastik
Year: 1970

description: Scholastik, Bd. 40 Nr. 1 (1965): Scholastik. Vierteljahresschrift für Theologie und Philosophie, Band 40, Heft 1
title: Ergebnisse der operativen Behandlung von Unterschenkelpseudarthrosen mittels Fibula-pro-Tibia Spongiosaplastik
Creators: name: Taschner, Tibor
name: Wermter, Antje
name: Freude, Thomas
name: Stuby, Fabian
name: Stöckle, Ulrich
name: Ateschrang, Atesch
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: Unterschenkelpseudarthrose
subject: autologe Spongiosaplastik
subject: Allograft
subject: 610 Medical sciences; Medicine

description: Fragestellung: Unterschenkelpseudarthrosen (UP) können durch unterschiedliche Verfahren behandelt werden, wobei die Fibula-pro-Tibia Operation (FT-OP) mit autologer Spongisaplastik (AS) eine etablierte Methode darstellt. Als Alternative zu der AS konnten wir in unserer Klinik das vitalisierte Allograft[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2016)
Hermeneutik und Theologie bei Rudolf Bultmann
Creators: name: Eickelschulte, Dietmar
Publisher: name: Scholastik
Year: 1970

description: Scholastik, Bd. 40 Nr. 1 (1965): Scholastik. Vierteljahresschrift für Theologie und Philosophie, Band 40, Heft 1
Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction
Creators: name: Wang, Zirui
name: Belecciu, Theodore
name: Eaves, Joelle
name: Reimers, Mark
name: Bachmann, Michael H.
name: Woldring, Daniel
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
classificationCode: 80699
subject: Information Systems not elsewhere classified
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences
classificationCode: 60506
subject: Virology

description: The COVID-19 pandemic has resulted in millions of deaths around the world. Multiple vaccines are in use, but there are many underserved locations that do not have adequate access to them. Variants may emerge that are highly resistant to existing vaccines, and therefore cheap and readily obtainable therapeutics are needed. Phytochemicals, or plant chemicals, can possibly be such therapeutics. Phytochemicals can be used in a polypharmacological approach, where multiple viral proteins are inhibited and escape mutations are made less likely. Finding the right phytochemicals for viral protein inhibition is challenging, but in-silico screening methods can make this a more tractable problem. In this study, we screen a wide range of natural drug products against a comprehensive set of SARS-CoV-2 proteins using a high-resolution computational workflow. This workflow consists of a structure-based virtual screening (SBVS), where an initial phytochemical library was docked against all selected protein structures. Subsequently, ligand-based virtual screening (LBVS) was employed, where chemical features of 34 lead compounds obtained from the SBVS were used to predict 53 lead compounds from a larger phytochemical library via supervised learning. A computational docking validation of the 53 predicted leads obtained from LBVS revealed that 28 of them elicit strong binding interactions with SARS-CoV-2 proteins. Thus, the inclusion of LBVS resulted in a 4-fold increase in the lead discovery rate. Of the total 62 leads, 18 showed promising pharmacokinetic properties in a computational ADME screening. Collectively, this study demonstrates the advantage of incorporating machine learning elements into a virtual screening workflow. Communicated by Ramaswamy H. Sarma
Phytochemical drug discovery for COVID-19 using high-resolution computational docking and machine learning assisted binder prediction
Creators: name: Wang, Zirui
name: Belecciu, Theodore
name: Eaves, Joelle
name: Reimers, Mark
name: Bachmann, Michael
name: Woldring, Daniel
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
classificationCode: 80699
subject: Information Systems not elsewhere classified
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences
classificationCode: 60506
subject: Virology

description: The COVID-19 pandemic has resulted in millions of deaths around the world. Multiple vaccines are in use, but there are many underserved locations that do not have adequate access to them. Variants may emerge that are highly resistant to existing vaccines, and therefore cheap and readily obtainable therapeutics are needed. Phytochemicals, or plant chemicals, can possibly be such therapeutics. Phytochemicals can be used in a polypharmacological approach, where multiple viral proteins are inhibited and escape mutations are made less likely. Finding the right phytochemicals for viral protein inhibition is challenging, but in-silico screening methods can make this a more tractable problem. In this study, we screen a wide range of natural drug products against a comprehensive set of SARS-CoV-2 proteins using a high-resolution computational workflow. This workflow consists of a structure-based virtual screening (SBVS), where an initial phytochemical library was docked against all selected protein structures. Subsequently, ligand-based virtual screening (LBVS) was employed, where chemical features of 34 lead compounds obtained from the SBVS were used to predict 53 lead compounds from a larger phytochemical library via supervised learning. A computational docking validation of the 53 predicted leads obtained from LBVS revealed that 28 of them elicit strong binding interactions with SARS-CoV-2 proteins. Thus, the inclusion of LBVS resulted in a 4-fold increase in the lead discovery rate. Of the total 62 leads, 18 showed promising pharmacokinetic properties in a computational ADME screening. Collectively, this study demonstrates the advantage of incorporating machine learning elements into a virtual screening workflow. Communicated by Ramaswamy H. Sarma
Molecular insights into the structural and dynamical changes of calcium channel TRPV6 induced by its interaction with phosphatidylinositol 4,5-bisphosphate
Creators: name: Wang, Lingyun
name: Cai, Ruiqi
name: Chen, Xing-Zhen
name: Peng, Ji-Bin
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Evolutionary Biology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences
subject: Computational Biology

description: Transient receptor potential vanilloid subfamily member 6 (TRPV6) is an epithelial calcium channel that regulates the initial step of the transcellular calcium transport pathway. TRPV6 is expressed in the kidney, intestine, placenta, and other tissues, and the dysregulation of the channel is implicated in several human cancers. It has been reported that phosphatidylinositol 4,5-bisphosphate (PIP2) activates TRPV6 and its close homologue TRPV5; however, the underlying molecular mechanism is less clear. Recently, a structure of rabbit TRPV5 in complex with dioctanoyl (diC8) PIP2, a soluble form of PIP2, was determined by cryo-electron microscopy. Based on this structure, the structural model of human TRPV6 with PIP2 was set up, and then molecular dynamics simulations were performed for TRPV6 with and without PIP2. Simulation results show that the positively charged residues responsible for TRPV5 binding of diC8 PIP2 are conserved in the interactions between TRPV6 and PIP2. The binding of PIP2 to TRPV6 increases the distance between the diagonally opposed residues D542 in the selectivity filter and that between the diagonally opposed M578 residues in the lower gate of TRPV6. A secondary structural analysis reveals that residues M578 in TRPV6 undergo structural and position changes during the binding of PIP2 with TRPV6. In addition, principal component analysis indicates that the binding of PIP2 increases the dynamical motions of both the selectivity filter and the lower gate of TRPV6. These changes induced by PIP2 favor the channel opening. Thus, this study provides a basis for understanding the mechanism underlying the PIP2-induced TRPV6 channel activation. Communicated by Ramaswamy H. Sarma
Kriminalitätsbericht 2011. Statistik und Analyse
Creators: name: (:Unkn) Unknown
Publisher: name: Universität Tübingen
Year: 2011
Subjects: subject: Österreich , Kriminalität , Statistik
subject: 360

description: Mit dem vorliegenden Kriminalitätsbericht werden die von den Sicherheitsbehörden und Sicherheitsdienststellen im Berichtsjahr gemeldeten Daten über die bekannt gewordenen gerichtlich strafbaren Handlungen veröffentlicht. Der Kriminalitätsbericht ist eine Anzeigenstatistik, das heißt, die Daten werden anlässlich der Vorlage der Anzeige über eine strafbare Handlung an die Strafverfolgungsbehörde in die Datenbank der EDV-Zentrale des Bundesministeriums für Inneres gespeichert, dort aufbereitet und vom Bundeskriminalamt zu den veröffentlichten Tabellen verarbeitet. Ziel des Kriminalitätsberichtes ist es, unter sinnvoller Beschränkung der zu erfassenden Daten und mit ökonomisch vertretbarem Arbeitsaufwand ein möglichst umfassendes und realitätsgerechtes Bild des bekannt gewordenen kriminellen Geschehens zu bieten.
title: Vaskularisierte Matti Russe Plastik als Therapie der Scaphoidpseudarthrose im proximalem Drittel – Eine weitere Modifikation des vaskularisierten Lateralen Femurkondylenlappens anhand eines klinischen Beispiels
Creators: name: Büschges, Michael
name: Ghods, Motjaba
name: Bürger, Heinz
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Fragestellung: Behandlungsmöglichkeit einer manifesten Scaphoid Pseudarthrose. Material und Methoden: 34-jähriger Patient mit übersehener begleitender Scaphoid Fx bei klinisch im Vordergrund stehender vorderer Kreuzbandruptur im Rahmen Sturzereignis. Die Diagnose der Scaphoidfraktur[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: 57. Kongress der Deutschen Gesellschaft für Handchirurgie
title: Monozentrische Studie der operativen Versorgung von nicht-verheilten Scaphoidfrakturen mittels freien, vaskularisierten Femurspantransplantaten
Creators: name: Erdmann, Jacob
name: Jakubietz, Michael
name: Schmidt, Karsten
name: Gilbert, Fabian
name: Meffert, Rainer
name: Jakubietz, Raphael
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Fragestellung: Die Scaphoidfraktur ist mit ca. 80% die häufigste Verletzung der Carpalia beim Sturz auf die überstreckte Hand im Patientenkollektiv zwischen 20-40 Jahren. Trotz adäquater Therapie kann es zu einer verzögerten Frakturheilung und im Verlauf zu einer Pseudarthrose[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: 57. Kongress der Deutschen Gesellschaft für Handchirurgie
Konzeption, Durchführung und Analyse eines Probandenexperiments zur Wirksamkeit der qualitativen Modellbildung mit dem Contact & Channel Ansatz = Design, Implementation and Analysis of a Human Subjects Experiment on the Efficacy of Qualitative Modelling with the Contact & Channel Approach
Creators: name: Pähler, Lukas
Publisher: name: Karlsruher Institut für Technologie (KIT)
Year: 2022

description: Diese Arbeit untersuchte die Wirksamkeit der qualitativen Modellbildung mit dem Contact & Channel Ansatz bezüglich der Verbesserung des Systemverständnisses von Probanden mit geringem Vorwissen. Zu diesem Zweck wurde ein Detailprozess zur Entwicklung von quantitativen Studien mit dem Fokus Wirksamkeit angewendet. Die daraus resultierende Forschungsmethode untersuchte die Wirkung qualitativer Modellbildung auf das Systemverständnis von Probanden in einer kontrollierten Testumgebung auf zwei Verständnisebenen: der System- und Detailebene. Die Messung auf der Systemebene erfolgte durch sechs Aufgaben, in denen jeweils das Verhalten von technischen Systemvarianten bestimmt werden musste. Das Verständnis auf der Detailebene wurde durch eine webbasierte Konstruktionsaufgabe abgefragt, in der eine bestimmte Funktionsbeschreibung erfüllt werden musste. Die Forschungsmethode wurde zur Untersuchung der qualitativen Modellbildung mit dem Contact & Channel Ansatz in die ILIAS-Plattform des Karlsruher Instituts für Technologie implementiert. Die Lehre der Modellbildungsmethode erfolgte dabei durch ein Trainingsvideo und eine geführte Modellbildung mit Rückmeldung. Die Studie wurde in Lehrveranstaltungen mit Studierenden im ersten und dritten Bachelorsemester durchgeführt. Dabei wurde auf keiner der Verständnisebenen eine signifikante Verbesserung des Systemverständnisses identifiziert. Auf der Detailebene wurde in dem Durchlauf mit den Drittsemestern eine signifikante Verschlechterung des Systemverständnisses identifiziert. Die Untersuchung der Eignung der Forschungsmethode sprach für die Plausibilität der Messungen, auch wenn weitere Forschung zu den Einflüssen innerhalb der Forschungsmethode und Operationalisierung von Systemverständnis notwendig ist. Die plausiblen Ergebnisse deuteten demnach darauf hin, dass die Verschlechterung auf die Modellbildung zurückzuführen war. Demzufolge muss der Grund für die Verschlechterung untersucht werden, wobei das individuelle Verhalten der Probanden bei der Anwendung und deren Umgang mit der Modellbildung betrachtet werden sollte.
title: Langstreckige Rekonstruktion des N. medianus nach Schussverletzung
Creators: name: Hentsch, Sebastian
name: Bieler, Dan
name: Franke, Axel
name: Julich, Kerstin
name: Janiak, Florian
name: Kollig, Erwin
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: N.medianus
subject: Schussverletzung
subject: langstreckige Rekonstruktion
subject: Suralistransplantat
subject: 610 Medical sciences; Medicine

description: Fragestellung: Zentrale Aufgabe der Klinik für Orthopädie, Unfallchirurgie und Handchirurgie des BWZK ist die Versorgung deutscher und alliierter Soldaten. Bei den Schuss- und Explosionsverletzungen dieser Patienten sind meist komplexe Rekonstruktionsstrategien notwendig. Methodik: Der[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: 57. Kongress der Deutschen Gesellschaft für Handchirurgie
Interaction of the insecticide bioallethrin with human hemoglobin: biophysical, in silico and enzymatic studies
Creators: name: Arif, Amin
name: Hashmi, Md. Amiruddin
name: Salam, Samreen
name: Younus, Hina
name: Mahmood, Riaz
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Neuroscience
subject: Physiology
subject: FOS: Biological sciences
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Cancer
subject: Computational Biology

description: Bioallethrin is an insecticide that is widely used in households resulting in human exposure. Bioallethrin is cytotoxic to human erythrocytes. Here we have studied the interaction of bioallethrin with human hemoglobin (Hb) using in silico and biophysical approaches. Incubation of Hb (5 μM) with bioallethrin (1–50 µM) led to increase in absorbance at 280 nm while the Soret band at 406 nm was slightly reduced. The intrinsic fluorescence of Hb was enhanced with the appearance of a new peak around 305 nm. Synchronous fluorescence showed that the binding of bioallethrin to Hb mainly affects the tyrosine microenvironment. The structural changes in Hb were confirmed with a significant shift in CD spectra and about 25% loss of α-helix. Molecular docking and visualisation through Discovery studio confirmed the formation of Hb-bioallethrin complex with a binding energy of –7.3 kcal/mol. Molecular simulation showed the stability and energy dynamics of the binding reaction between bioallethrin and Hb. The structural changes induced by bioallethrin led to inhibition of the esterase activity of Hb. In conclusion, this study shows that bioallethrin forms a stable complex with human Hb which may lead to loss of Hb function in the body. Communicated by Ramaswamy H. Sarma Graphical representation showing structural changes, enzymatic alteration upon complex formation between BA and Hb with different in vitro and in silico approaches. This study shows that a stable Hb:BA complex is formed which results in structural changes in human Hb and also inhibits its esterase activity. These changes will further affect the normal functioning of Hb and may cause blood related clinical issues in the BA exposed population.
Giambelli Identity in Super Chern-Simons Matrix Model
Creators: name: Matsuno, Satsuki
name: Moriyama, Sanefumi
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: A classical identity due to Giambelli in representation theory states that the character in any representation is expressed as a determinant whose components are characters in the hook representation constructed from all the combinations of the arm and leg lengths of the original representation. Previously it was shown that the identity persists in taking, for each character, the matrix integration in the super Chern-Simons matrix model in the grand canonical ensemble. We prove here that this Giambelli compatibility still holds in the deformation of the fractional-brane background.
description: 16 pages, 3 figures, v2: introduction extended, references added
title: Wie kann die Verwendung einer Kollagen-Elastin-Matrix (MatriDerm ® ) zur Unterfütterung von Hauttransplantaten bei der Defektdeckung an Hand und Unterarm helfen?
Creators: name: Stolz, Christian
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: Dermisersatz
subject: Defektdeckung
subject: Hauttransplantation
subject: MatriDerm
subject: 610 Medical sciences; Medicine

description: Fragestellung: Bei Haut- und Weichteildefektverletzungen an der Hand kann zur Unterfütterung von Spalthauttransplantaten durch die Anwendung der Kollagen-Elastin-Matrix MatriDerm® die Verschieblichkeit und Elastizität des Resultates verbessert werden. Inwieweit kann das sog. Bridging [zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: 57. Kongress der Deutschen Gesellschaft für Handchirurgie
title: MIB1 in gliomas and gliosis
Creators: name: Skjulsvik, Anne Jarstein
name: Torp, Sverre Helge
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Objectives: We aimed to evaluate whether the proliferation marker MIB1 could be useful in distinguishing between gliomas and gliosis in various conditions. Materials & Methods: All samples from patients (>18 years) undergoing brain surgery in central Norway in the period of 2006- 2012 with[for full text, please go to the a.m. URL]
description: Joint-Meeting of the German Society for Neuropathology and Neuroanatomy (DGNN) and the Scandinavian Neuropathological Society (SNS)
ReFEx: Reusability Flight Experiment Flight Safety Analysis
Creators: name:  JOSE LUIS REDONDO GUTIERREZ
name:   LEONID BUSSLER
name:   PETER RICKMERS
Publisher: name: Proceedings of the Aerospace Europe Conference - EUCASS - CEAS - 2023
Year: 2023
Subjects: REUSABILITY
HYPERSONICS
REENTRY TRAJECTORY

description: The German Aerospace Center project ReFEx aims to demonstrate autonomous GNC capabilities for aerodynamically controlled RLVs, its launch is scheduled for 2024 in Australia. This paper covers the flight safety analysis required by the Australian Space Agency (ASA). Monte Carlo campaigns results are used to assert that the flight termination system is capable of destabilizing the vehicle, to define impact probabilities for different ground areas, which are then use to calculate the risk of human injury for offnominal trajectories of the reentry segment. The results show that the requirements of the ASA are fulfilled with margin.
On Swift Gravitons
Creators: name: Benakli, Karim
name: Chapman, Shira
name: Darmé, Luc
name: Oz, Yaron
Publisher: name: arXiv
Year: 2015
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: FOS: Physical sciences

description: We use the method of characteristics to study superluminal graviton (thereof called swift graviton) propagation in theories of higher curvature gravity of the form $($Riemann$)^2$, $($Riemann$)^3$, $\nabla^2 ($Riemann$)^2$ and $($Riemann$)^4$. We consider a pp-wave background. When probed by gravitons with an appropriate polarisation, several of the gravitational theories under consideration exhibit characteristic hypersurfaces outside the flat spacetime light-cone.
description: 25+10 pages. [v2] - revised version as submitted for publication, updated references
Drug design of new therapeutic agents: molecular docking, molecular dynamics simulation, DFT and POM analyses of new Schiff base ligands and impact of substituents on bioactivity of their potential antifungal pharmacophore site
Creators: name: Akkoc, Senem
name: Karatas, Halis
name: Muhammed, Muhammed Tilahun
name: Kökbudak, Zülbiye
name: Ceylan, Ahmet
name: Almalki, Faisal
name: Laaroussi, Hamid
name: Hadda, Taibi Ben
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Pharmacology
subject: Biotechnology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
classificationCode: 80699
subject: Information Systems not elsewhere classified
subject: Cancer

description: Since Schiff base derivatives have a wide range of biological activities, novel Schiff base derivatives were designed and synthesized in satisfactory yields. 1H NMR, 13C NMR, IR, mass and elemental analysis were used to provide a complete structural characterization of the new synthesized Schiff bases (3–6). The antiproliferative activity properties of compounds were tested against two human cancer cell lines including breast (MDA-MB-231) and colon (DLD-1). The compounds overall did not show high cytotoxic activity against both cancer cell lines compared to the positive control drug cisplatin. The synthesized Schiff base compounds were further screened for their in vitro antimicrobial activities against five bacterial strains (Escherichia coli (ATTC 25922), Salmonella thyphimurium (ATTC 14028), Staphylococcus aureus (ATCC 25923), Bacillus subtilis (ATCC 6633), Bacillus cereus (ATCC 11778)) and two fungal strains (Candida albicans (ATCC 10231) and Candida glabrata (ATCC 90030)) using broth micro dilution techniques. The mode of action for the antimicrobial effect in the experimental part was explored through molecular docking. The stability of target-ligand complexes obtained from the docking were assessed through molecular dynamics simulation. The binding affinity of the compounds toward the target protein were also investigated using MMPBSA. Furthermore, electrochemical properties of some compounds was analyzed by DFT calculations. By using POM theory, it becomes more easy to control the bioactivity of drugs. Here, how the physicochemical properties play a crucial role in the orientation of their bioactivity was demonstrated. Communicated by Ramaswamy H. Sarma
title: Langzeitergebnisse nach AMIC im Knie
Creators: name: Kaiser, Nadine
name: Jacobi, Matthias
name: Kusano, Taro
name: Jakob, Roland Peter
name: Gautier, Emanuel
name: Petek, Daniel
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Fragestellung: Knorpelläsionen im Knie stellen nach wie vor ein schwer zu behandelndes Problem dar. Zwar zeigen Verfahren wie das Microfracturing gute kurz- und mittelfristige Ergebnisse, jedoch ist auch bekannt, dass nach ca. 5 Jahren die Ergebnisse aufgrund der minderwertigen Qualität des[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2016)
Rational design of 1,2,3-triazole hybrid structures as novel anticancer agents: synthesis, biological evaluation and molecular docking studies
Creators: name: Çot, Aynur
name: Çeşme, Mustafa
name: Onur, Sultan
name: Aksakal, Elif
name: Şahin, İrfan
name: Tümer, Ferhan
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Pharmacology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
classificationCode: 69999
subject: Biological Sciences not elsewhere classified

description: New hybrid compounds belonging to the class of 1,4-disubstituted 1,2,3-triazoles were synthesized. The structural characterization of the synthesized compounds was performed using IR, 1H-NMR, 13C NMR and elemental analysis techniques. Diarylketones 1a and 1b were used as starting compounds for the synthesis of triazoles. The corresponding diarylmethanol derivatives (2a,b) were obtained from reduction of ketone units with NaBH4. Oxyalkynes (3a,b) were obtained by treating the hydroxyl group with NaH in anhydrous THF and then with propargylbromide. The target hybrid structures 6a-n were obtained from the metal-catalyzed "click reaction" of the arylazide and alkyne units. The newly synthesized compounds were structurally analysed using 1H-NMR, 13C-NMR, elemental analysis, LC-MS and FT-IR. The antioxidant and anticancer activities of all compounds were investigated. It has been determined that the new hybrid structures have very good antioxidant and anticancer activities according to the standards. In particular, compounds 6b, 6h, 6i and 6j (IC50: 1.87, 12.5, 7.22, 8.04 µM) showed excellent activity compared to standard 5-Fu (IC50: 40.89 µM). According to the results of molecular docking of compounds 6b and 6i with the highest cancer activity, MetAP-2 was found to have a high affinity through exposed polar and apolar contacts with fundemental residues in the binding pocket. Communicated by Ramaswamy H. Sarma
title: Jerky active matter: a phase field crystal model with translational and orientational memory
Creators: name: Vrugt, Michael te
name: Jeggle, Julian
name: Wittkowski, Raphael
Publisher: name: University of Muenster, Institutional Repository MIAMI
Year: 2023
Subjects: subject: 530 Physics

description: Most field theories for active matter neglect effects of memory and inertia. However, recent experiments have found inertial delay to be important for the motion of self-propelled particles. A major challenge in the theoretical description of these effects, which makes the application of standard methods very difficult, is the fact that orientable particles have both translational and orientational degrees of freedom which do not necessarily relax on the same time scale. In this work, we derive the general mathematical form of a field theory for soft matter systems with two different time scales. This allows to obtain a phase field crystal model for active particles with translational and orientational memory. Notably, this theory is of third order in temporal derivatives and can thus be seen as a spatiotemporal jerky dynamics. We obtain the phase diagram of this model, which shows that, unlike in the passive case, the linear stability of the liquid state depends on the damping coefficients. Moreover, we investigate sound waves in active matter. It is found that, in active fluids, there are two different mechanisms for sound propagation. For certain parameter values and sufficiently high frequencies, sound mediated by polarization waves experiences less damping than usual passive sound mediated by pressure waves of the same frequency. By combining the different modes, acoustic frequency filters based on active fluids could be realized.
description: Finanziert durch den Open-Access-Publikationsfonds der Westfälischen Wilhelms-Universität Münster (WWU Münster).
title: Liposarkome des Bewegungsapparates. Therapie und Prognose in Abhängigkeit zur Entität
Creators: name: Rauh, Jessica
name: Klein, Alexander
name: Baur-Melnyk, Andrea
name: Knösel, Thomas
name: Dreyling, Martin
name: Jansson, Volkmar
name: Dürr, Hans Roland
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: Liposarkom
subject: Atypisches Lipom
subject: Therapie
subject: Prognose
subject: Weichteilsarkom
subject: 610 Medical sciences; Medicine

description: Fragestellung: Die Liposarkome sind eine heterogene Gruppe von Weichteilsarkomen, deren Spektrum von lokaler Problematik (Atypisches Lipom) bis zu hochmalignen Verläufen reicht. Ziel der Arbeit war es, die tumor- und stadiengerechten Therapie und Prognose aufzuzeigen. Methodik: Von 1983-2015[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2016)
Magnetotransport study of the pressure-induced antiferromagnetic phase in FeSe
Creators: name: Terashima, Taichi
name: Kikugawa, Naoki
name: Kasahara, Shigeru
name: Watashige, Tatsuya
name: Matsuda, Yuji
name: Shibauchi, Takasada
name: Uji, Shinya
Publisher: name: arXiv
Year: 2016
Subjects: subject: Superconductivity (cond-mat.supr-con)
subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: The resistivity $ρ$ and Hall resistivity $ρ_H$ are measured on FeSe at pressures up to $P$ = 28.3 kbar in magnetic fields up to $B$ = 14.5 T. The $ρ(B)$ and $ρ_H(B)$ curves are analyzed with multicarrier models to estimate the carrier density and mobility as a function of $P$ and temperature ($ T\leqslant$ 110 K). It is shown that the pressure-induced antiferromagnetic transition is accompanied by an abrupt reduction of the carrier density and scattering. This indicates that the electronic structure is reconstructed significantly by the antiferromagnetic order.
description: 6 pages, 5 figures + SM ( 2 pages, 2 figures)
Schenker, Adrian, Das Neue am neuen Bund und das Alte am alten
Creators: name: Pehlke, Helmuth
Publisher: name: Jahrbuch für evangelikale Theologie
Year: 2025

description: 182308799X
description: Jahrbuch für evangelikale Theologie, V. 22 (2008): Jahrbuch für evangelikale Theologie, Band 22
Discovery of novel potential inhibitors of TMPRSS2 and Mpro of SARS‐CoV‐2 using E-pharmacophore and docking-based virtual screening combined with molecular dynamic and quantum mechanics
Creators: name: Mahgoub, Mohanad A.
name: Alnaem, Ahmed
name: Fadlelmola, Mohammed
name: Abo-idris, Mazin
name: Makki, Alaa A.
name: Abdelgadir, Abdelgadir A.
name: Alzain, Abdulrahim A.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Pharmacology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
classificationCode: 80699
subject: Information Systems not elsewhere classified

description: The pandemic of coronavirus disease is caused by the SARS-CoV-2 which is considered a global health issue. The main protease of COVID 19 (Mpro) has an important role in viral multiplication in the host cell. Inhibiting Mpro is a novel approach to drug discovery and development. Also, transmembrane serine proteases (TMPSS2) facilitate viral activation by cleavage S glycoproteins, thus considered one of the essential host factors for COVID-19 pathogenicity. Computational tools were widely used to reduce time and costs in search of effective inhibitors. A chemical library that contains over two million molecules was virtually screened against TMPRSS2. Also, XP docking for the top hits was screened against (Mpro) to identify dual-target inhibitors. Furthermore, MM-GBSA and predictive ADMET were performed. The top hits were further studied through density functional theory (DFT) calculation and showed good binding to the active sites. Moreover, molecular dynamics (MD) for the top hits were performed which gave information about the stability of the protein-ligand complex during the simulation period. This study has led to the discovery of potential dual-target inhibitors Z751959696, Z751954014, and Z56784282 for COVID-19 with acceptable pharmacokinetic properties. The outcome of this study can participate in the development of novel inhibitors to defeat SARS-CoV-2. Communicated by Ramaswamy H. Sarma
Rata, Tiberius, The Covenant Motif in Jeremiah's Book of Comfort
Creators: name: Wenzel, Heiko
Publisher: name: Jahrbuch für evangelikale Theologie
Year: 2025

description: 1823087981
description: Jahrbuch für evangelikale Theologie, V. 22 (2008): Jahrbuch für evangelikale Theologie, Band 22
title: BioXpand – die bioexpandierbare Endoprothese bei Kindern nach der Resektion von malignen Knochentumoren
Creators: name: Baumgart, Rainer
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: BioXpand
subject: Fitbone
subject: Kallusdistraktion
subject: Osteosarkom
subject: Ewing-Sarkom
subject: maligne Knochentumore
subject: Beinverkürzung
subject: Kinder
subject: 610 Medical sciences; Medicine

description: Fragestellung: Expandierbare Tumorendoprothesen können nach der Resektion maligner Knochentumore der unteren Extremitäten eine Möglichkeiten bieten, um bei Kindern oder Adoleszenten die nach Tumorresektion wachstumsbedingt entstehende Beinverkürzung auszugleichen. Die Besonderheit[zum vollständigen Text gelangen Sie über die oben angegebene URL]
description: Deutscher Kongress für Orthopädie und Unfallchirurgie (DKOU 2016)
Comparative analysis of finite field-dependent BRST transformations
Creators: name: Moshin, Pavel Yu.
name: Reshetnyak, Alexander A.
Publisher: name: arXiv
Year: 2016
Subjects: subject: High Energy Physics - Theory (hep-th)
subject: High Energy Physics - Lattice (hep-lat)
subject: Mathematical Physics (math-ph)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences
subject: 70G60, 70G65, 70G75, 70H45, 70H03, 81T30, 81T70

description: We present a review of our recent study (A. Reshetnyak, IJMPA 29 (2014) 1450128; P. Moshin, A. Reshetnyak, Nucl. Phys. B 888 (2014) 92; Phys. Lett B 739 (2014) 110; IJMPA 29 (2014) 1450159; IJMPA 30 (2015) 1550021; IJMPA 31 (2016) 1650111), in which the concept of finite field-dependent BRST and BRST-antiBRST transformations for gauge theories was introduced, and their properties investigated. An algorithm of exact calculation for the Jacobian of a respective change of variables in the path integral is presented. Applications to the Yang--Mills theory and Standard Model, in view of infra-red (Gribov) peculiarities, are discussed.
description: 9 pages, no figures, extended Contribution to the Proceedings of the International Workshop "Supersymmetry and Quantum Symmetries" (SQS'2015, August 3 - August 8, 2015, Dubna, Russia); minor changes, misprints in the Eq. (32) removed; presentation improved; misprints in (27), (28) removed, notations improved; Eqs. (13), (23) corrected
Vicaire, Marie-Humbert: Geschichte des Heiligen Dominikus, Band I und II
Creators: name: Wolter, H.
Publisher: name: Scholastik
Year: 1970

description: Scholastik, Bd. 39 Nr. 4 (1964): Scholastik. Vierteljahresschrift für Theologie und Philosophie, Band 39, Heft 4
title: Preliminary Results on Medication Reconciliation at the WestGem study
Creators: name: Rose, Olaf
name: Jaehde, Ulrich
name: Köberlein-Neu, Juliane
Publisher: name: German Medical Science GMS Publishing House
Year: 2016
Subjects: subject: 610 Medical sciences; Medicine

description: Background: From October 2016 on, patients in Germany can claim a Medication Plan by their physician, displaying the name of the drug, the dose and the purpose of use. The Medication Plan should be issued by any physician on patient request. Any other physician or pharmacist is required to update the[for full text, please go to the a.m. URL]
description: 23. Jahrestagung der Gesellschaft für Arzneimittelanwendungsforschung und Arzneimittelepidemiologie
ISO 80079-36 und -37 – Die neuen internationalen Normen für explosionsgeschützte mechanische Geräte
Creators: name: Beyer, Michael
name: Grätz, Rainer
Publisher: name: Physikalisch-Technische Bundesanstalt (PTB)
Year: 2016
Subjects: harmonisierte Norm
Richtlinie 94/9/EG
Richtlinie 2014/34/EU
ATEX
Konformitätserklärung
mechanische Geräte
DIN EN 13463
IECEx

description: Die Normen ISO 80079-36 (Nichtelektrische Geräte für den Einsatz in explosionsfähigen Atmosphären - Grundlagen und Anforderungen) und ISO 80079-37 (Nichtelektrische Geräte für den Einsatz in explosionsfähigen Atmosphären - Schutz durch konstruktive Sicherheit "c", Zündquellenüberwachung "b", Flüssigkeitskapselung "k") beschreiben die Anforderungen an explosionsgeschützte mechanische Geräte. Die Normen ersetzen die Teile 1, 5, 6, und 8 der Normenreihe DIN EN 13463. Wesentliche Unterschiede und Gemeinsamkeiten zu den Vorgängernormen werden hier erläutert. ISO 80079, Teil 36 und 37 sind Teil einer Normenreihe für nichtelektrische Geräte und Schutzsysteme (ISO/IEC 80079), die gemeinsam mit den Normen für explosionsgeschützte elektrische Geräte (Normenreihe IEC 60079) ein integriertes internationales technisches Regelwerk für den Explosionsschutz bilden. Dies wird mittel- bis langfristig den globalen Marktzugang, insbesondere für die exportorientierten deutschen Hersteller, erleichtern. Zu den gerade erschienenen Normen der Reihe ISO/IEC 80079 wurden parallel zum Normungsprozess die Grundlagen erarbeitet, um sie analog zu den elektrischen Geräten in das IECEx System einzubinden. Die Möglichkeiten zur Anwendung der beiden Normen bei der Konformitätsbewertung im Rahmen der ATEX Richtlinie und des IECEx Systems werden diskutiert.
Virtual screening and molecular dynamics study of natural products against Rab10 for the treatment of Alzheimer’s disease
Creators: name: Alves, Levy Bueno
name: Castillo-Ordoñez, Willian Orlando
name: Giuliatti, Silvana
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Pharmacology
subject: Biotechnology
classificationCode: 39999
subject: Chemical Sciences not elsewhere classified
classificationCode: 69999
subject: Biological Sciences not elsewhere classified
classificationCode: 80699
subject: Information Systems not elsewhere classified
classificationCode: 110309
subject: Infectious Diseases
subject: FOS: Health sciences

description: Alzheimer's disease (AD) is a neurodegenerative disorder associated with aging. Various enzymatic targets have been and are still being studied in an attempt to discover new drugs for the treatment of AD; however, Rab GTPases are still relatively unexplored. These enzymes regulate cellular processes by alternating of GDP and GTP nucleotides. In vitro studies have shown that the knockdown of Rab10 reduces the production of Aβ40 and Aβ42 peptides, making it a promising target for the treatment of AD. In order to identify potential Rab10 inhibitors, the structure-based virtual screening (SBVS) was used considering a subset of 80763 natural products obtained from ZINC15 database. Tertiary structure of Rab10 was obtained from the Protein Data Bank and the Autodock Vina program was used in the SBVS to filter potential bioactive substances against this enzyme. The SBVS protocol was validated by redocking the co-crystallized GNP and the binding energies of the GDP and GTP were used as controls in the pharmacodynamic analysis. Thus, it was possible to select 45 compounds with binding energy less or equal −11 kcal.mol−1. ADME/T properties of these compounds were evaluated by the SwissADME program, where it was possible to identify 6 promising molecules. The resulting complexes were subjected to molecular dynamics simulations to analyze the pharmacodynamics over time. The results suggest that the compound ZINC4090657 (derived from quinolizidine) and the compounds ZINC4000106 and ZINC0630250 (derived from coumarin) have favorable pharmacological characteristics for the inhibition of Rab10, with ZINC4090657 being the most promising one. Communicated by Ramaswamy H. Sarma
Kinematics of symmetric Galactic longitudes to probe the spiral arms of the Milky Way with Gaia
Creators: name: Antoja, T.
name: Roca-Fabrega, S.
name: de Bruijne, J.
name: Prusti, T.
Publisher: name: arXiv
Year: 2016
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: We model the effects of the spiral arms of the Milky Way on the disk stellar kinematics in the Gaia observable space. We also estimate the Gaia capabilities of detecting the predicted signatures. We use both controlled orbital integrations in analytic potentials and self-consistent simulations. We introduce a new strategy, which consists of comparing the stellar kinematics of symmetric Galactic longitudes (+l and -l), in particular the median transverse velocity (from parallaxes and proper motions). This approach does not require the assumption of an axisymmetric model. The typical differences between the transverse velocity in symmetric longitudes in the models are of ~2 km/s, but can be larger than 10 km/s for certain longitudes and distances. The kinematic differences for +l and -l show trends that depend on the properties of spiral arms. Thus, this method can be used to quantify the importance of the effects of spiral arms on the orbits of stars in the different disk regions, and to constrain the location of the arms, main resonances and, thus, pattern speed. Moreover, the method allows us to test the dynamical nature of the spiral structure (e.g. grand design versus transient multiple arms). We estimate the number of stars of each spectral type that Gaia will observe in representative Galactic longitudes, their errors in distance and transverse velocity, and the error in computing the median velocity as a function of distance. We will be able to measure the median transverse velocity with Gaia data, with precision smaller than ~1 km/s up to distances of ~4-6 kpc for certain giant stars, and up to ~2-4 kpc and better kinematic precision (<= 0.5 km\s) for certain sub-giants and dwarfs. These are enough to measure the typical signatures seen in the models. We also show that a similar strategy can be used with line-of-sight velocities from other upcoming spectroscopic surveys.(Abridged)
description: Accepted for publication in A&A; new version with minor updates to meet the published version