cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde
Creators: name: Fatima, Aysha
name: Khanum, Ghazala
name: Sharma, Arun
name: Verma, Indresh
name: Arora, Himanshu
name: Siddiqui, Nazia
name: Javed, Saleem
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Physical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: 1H-Indole-3-carbaldehyde (1H-I3A) was investigated experimentally by NMR (1H-NMR and 13 C-NMR in solution form), FT-Raman, FT-IR, UV-Visible and quantum chemically by DFT approach. 3 D and 2 D surface analysis was carried by Hirshfeld surface analysis. The B3LYP method and the 6-311++G(d,p) basis set were used to optimize the molecular structure and vibrational modes. Optimized binding parameters and experimental binding parameters are in good agreement. VEDA (Vibrational Energy Distribution analysis) successfully carried out and complete tasks for the distribution of potential energy. 1H-NMR and 13 C-NMR shifts were estimated with GIAO method and the results compared with experimental spectra. The TDDFT method and the PCM solvent model were used for the analysis of electronic properties such as UV-Vis (in the gas phase, methanol and DMSO) and compared with the experimental UV-Vis spectra. The HOMO/LUMO energy results underscore that sufficient charge transfer has taken place within the molecule. Studies of donor-acceptor connections were performed using NBO analysis. The MEP surface analysis was performed and charge distribution was demonstrated. The degree of relative localization of electrons was analyzed using the FLF diagram. The Fukui functional analysis to find possible points of attack for various substituents. Molecular electrostatic potential (MEP) was created and 3-D color representation shows reactive sites. Study of donor-acceptor interconnections were done via NBO analysis. The biological study like molecular docking was done with 7 different receptors to find the best ligand-protein interactions and drug similarities.
Additional file 3: of Intermittent fasting, energy balance and associated health outcomes in adults: study protocol for a randomised controlled trial
Creators: name: Templeman, Iain
name: Thompson, Dylan
name: Gonzalez, Javier
name: Jean-Philippe Walhin
name: Reeves, Sue
name: Rogers, Peter
name: Brunstrom, Jeffrey
name: Karagounis, Leonidas
name: Tsintzas, Kostas
name: Betts, James
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Developmental Biology
subject: Cancer
subject: Science Policy
subject: Computational Biology

description: SPIRIT checklist. (DOC 120 kb)
Synthesis of 1,3,4-Thiadiazole Derivatives Using Hydrazonoyl Bromide: Molecular Docking and Computational Studies
Creators: name: Zaki, Yasser H.
name: Abdelhamid, Abdou O.
name: Sayed, Abdelwahed R.
name: Mohamed, Hussein S.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Medicine
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Virology

description: Alkyl phenylcarbamodithioates were reacted with hydrazonoyl bromide 1a, b in ethanol containing a catalytic amount of triethylamine solution to afford and 1,3,4-thiadiazole derevatives 5a, b, respectively. In the same manner, alkyl hydrazinecarbodithioate (6–10)a, b were reacted with the appropriate hydrazonoyl bromide (1a, b) in ethanol containing a catalytic amount of triethylamine solution to afford 1,3,4-thiadiazole derivatives (13–17), respectively. Moreover, hydrazonoyl bromide 1a or 1b was reacted with 5-phenyl-1,3,4-oxadiazole-2-thione 22A in refluxing chloroform containing triethylamine to give 1,3,4-thiadiazole derivatives 21a and b, respectively. Elemental analysis, spectral data, and an alternative synthetic route were used to confirm the structures of all the newly synthesized heterocyclic compounds. AutoDock was used to screen possible drugs. To screen potential medications, AutoDock was utilized. The antiviral medications chloroquine, hydroxychloroquine, and Lopinavir, as well as their synthesized components, were all tested. Confirmation comes from molecular docking and computational investigations. The results of a detailed exploration of the structural characterization of 5b and 13b using quantum chemistry methods calculated using the DFT (B3LYP) method with a 6-31 + g (d, p) basis set are presented in the computational study. The goal of this study was to investigate the molecular dynamics and structural characteristics that regulate chemical behavior, as well as to compare theoretical predictions with experimental results.
Additional file 2: of Wnt signaling and polarity in freshwater sponges
Creators: name: Reid, Pamela Windsor
name: Eugueni Matveev
name: McClymont, Alexandra
name: Posfai, Dora
name: Hill, April
name: Leys, Sally
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Molecular Biology
subject: Evolutionary Biology
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: Developmental Biology

description: Mafft alignment of sponge Wnt protein sequences prepared in Boxshade ( http://www.ch.embnet.org/software/BOX_form.html ). Conserved cysteine residues are marked with a red asterisk, and the conserved RWNC motif is indicated with a green bracket. (PDF 9686 kb)
Additional file 1: of Hyperchloremia and postoperative acute kidney injury: a retrospective analysis of data from the surgical intensive care unit
Creators: name: Oh, Tak
name: Song, In-Ae
name: Kim, Se
name: Lim, Sung
name: Do, Sang-Hwan
name: Hwang, Jung-Won
name: Kim, Jinhee
name: Jeon, Young-Tae
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Physiology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Marine Biology

description: Staging of postoperative acute kidney injury. Brief overview of KDIGO-based staging criteria for acute kidney injury. (DOCX 29Â kb)
Discovery of a Potential Multi-Target Anti-Tumor Agent via Structural Modification on Flavonoid
Creators: name: Deng, Xiangping
name: Zou, Yang
name: Liu, Renbo
name: Peng, Yijiao
name: Ouyang, Chenglin
name: Peng, Junmei
name: Lei, Xiaoyong
name: Xie, Zhizhong
name: Li, Chong
name: Tang, Guotao
Publisher: name: Taylor & Francis
Year: 2021
Subjects: Biochemistry
Cell Biology
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: A series of flavonoid derivatives bearing trimethoxyphenyl and benzimidazole were designed, synthesized and evaluated as potential anti-tumor agents. Compound 5g showed remarkable inhibitory activity against SGC-7901, HGC-27 and MCF-7 (IC50 values of 20.5 ± 5.93, 3.3 ± 2.53 and 16.6 ± 0.75 μM, respectively), and had great selectivity to cancer cells. The results of Hoechst 33258 staining and Annexin V-FITC/PI dual staining confirmed that compound 5 g induced apoptosis of the HGC-27 cells in a concentration-dependent manner. After treatment with compound 5 g, the expression of HIF-1α, VEGF and PKM2 were down-regulated, accompanied by weakened the levels of lactate. Further research revealed that compound 5 g could obviously inhibit tubulin assembly. In summary, compound 5 g possessed a promising potential for further development into anti-tumor drug candidates.
Ultimate limits for quantum magnetometry via time-continuous measurements
Creators: name: Albarelli, Francesco
name: Rossi, Matteo A. C.
name: Paris, Matteo G. A.
name: Genoni, Marco G.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: We address the estimation of the magnetic field B acting on an ensemble of atoms with total spin J subjected to collective transverse noise. By preparing an initial spin coherent state, for any measurement performed after the evolution, the mean-square error of the estimate is known to scale as $1/J$, i.e. no quantum enhancement is obtained. Here, we consider the possibility of continuously monitoring the atomic environment, and conclusively show that strategies based on time-continuous non-demolition measurements followed by a final strong measurement may achieve Heisenberg-limited scaling $1/{J^2}$ and also a monitoring-enhanced scaling in terms of the interrogation time. We also find that time-continuous schemes are robust against detection losses, as we prove that the quantum enhancement can be recovered also for finite measurement efficiency. Finally, we analytically prove the optimality of our strategy.
description: 11 pages, 6 figures, close to published version
The Synthesis of Polysubstituted Amino Pyrazoles Using Nano-[Zn-4NSP]Cl2 as a New Schiff Base Complex and Catalyst
Creators: name: Moosavi-Zare, Ahmad Reza
name: Goudarziafshar, Hamid
name: Yadollahi, Maryam
name: Jalilian, Zahra
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biochemistry
Physical Sciences not elsewhere classified
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: Nano-Zn[4-nitrophenyl-salicylaldimine-pyranopyrimidinedione]Cl2 {Nano-[Zn-4NSP]Cl2}, as a new Schiff base complex and heterogeneous catalyst, was prepared and fully characterized by different analyses. Nano-[Zn-4NSP]Cl2 was applied as an efficient catalyst for the synthesis of some 5-amino-1H-pyrazole-4-carbonitrile derivatives.
Reconstruction of the remote dipole and quadrupole fields from the kinetic Sunyaev Zel'dovich and polarized Sunyaev Zel'dovich effects
Creators: name: Deutsch, Anne-Sylvie
name: Dimastrogiovanni, Emanuela
name: Johnson, Matthew C.
name: Münchmeyer, Moritz
name: Terrana, Alexandra
Publisher: name: arXiv
Year: 2017
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: General Relativity and Quantum Cosmology (gr-qc)
subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: The kinetic Sunyaev Zel'dovich (kSZ) and polarized Sunyaev Zel'dovich (pSZ) effects are temperature and polarization anisotropies induced by the scattering of CMB photons from structure in the post-reionization Universe. In the case of the kSZ effect, small angular scale anisotropies in the optical depth are modulated by the cosmic microwave background (CMB) dipole field, i.e. the CMB dipole observed at each spacetime point, which is sourced by the primordial dipole and especially the local peculiar velocity. In the case of the pSZ effect, similar small-scale anisotropies are modulated by the CMB quadrupole field, which receives contributions from both scalar and tensor modes. Statistical anisotropies in the cross correlations of CMB temperature and polarization with tracers of the inhomogeneous distribution of electrons provide a means of isolating and reconstructing the dipole and quadrupole fields. In this paper, we present a set of unbiased minimum variance quadratic estimators for the reconstruction of the dipole and quadrupole fields, and forecast the ability of future CMB experiments and large scale structure surveys to perform this reconstruction. Consistent with previous work, we find that a high fidelity reconstruction of the dipole and quadrupole fields over a variety of scales is indeed possible, and demonstrate the sensitivity of the pSZ effect to primordial tensor modes. Using a principle component analysis, we estimate how many independent modes could be accessed in such a reconstruction. We also comment on a few first applications of a detection of the dipole and quadrupole fields, including a reconstruction of the primordial contribution to our locally observed CMB dipole, a test of statistical homogeneity on large scales from the first modes of the quadrupole field, and a reconstruction technique for the primordial potential on the largest scales.
description: 24 pages, 8 figures, minor changes
Phase transitions of the dimerized Kane-Mele model with/without the strong interaction
Creators: name: Du, Tao
name: Li, Yue-Xun
name: Li, Yan
name: Lu, He-Lin
name: Zhang, Hui
Publisher: name: arXiv
Year: 2017
Subjects: subject: Strongly Correlated Electrons (cond-mat.str-el)
subject: FOS: Physical sciences

description: The dimerized Kane-Mele model with/without the strong interaction is studied using analytical methods. The boundary of the topological phase transition of the model without strong interaction is obtained. Our results show that the occurrence of the transition only depends on dimerized parameter . From the one-particle spectrum, we obtain the completed phase diagram including the quantum spin Hall (QSH) state and the topologically trivial insulator. Then, using different mean-field methods, we investigate the Mott transition and the magnetic transition of the strongly correlated dimerized Kane-Mele model. In the region between the two transitions, the topological Mott insulator (TMI) with characters of Mott insulators and topological phases may be the most interesting phase. In this work, effects of the hopping anisotropy and Hubbard interaction U on boundaries of the two transitions are observed in detail. The completed phase diagram of the dimerized Kane-Mele-Hubbard model is also obtained in this work. Quantum fluctuations have extremely important influences on a quantum system. However, investigations are under the framework of the mean field treatment in this work and the effects of fluctuations in this model will be discussed in the future.
description: 18 pages, 6 figures
The Arab Manifest for Open Science
Creators: name: Farrag, Abdelrahman
Publisher: name: Zenodo
Year: 2022
Subjects: open science
The Arab World
open access
open research data
open scholarly communication
The Arab Manifest for Open Science

description: Presented at the Open Science Day, Cape Town, South Africa 7 December 2022, at the World Science Forum. Implementation of the UNESCO Recommendation on Open Science: From Principles to Actions.

https://www.unesco.org/en/articles/open-science-day-world-science-forum
Additional file 1: Table S1. of Effects of tai chi on cognition and instrumental activities of daily living in community dwelling older people with mild cognitive impairment
Creators: name: Siu, Mei-Yi
name: Lee, Diana
Publisher: name: figshare
Year: 2018
Subjects: subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy
subject: Computational Biology

description: The Yang-style simple form of Tai Chi (DOCX 14 kb)
title: Εισαγωγή στην SQL
title: Εργαστηριακές ασκήσεις σε MySQL 5.7
titleType: AlternativeTitle
Creators: name: Loukopoulos, Thanasis
name: Theodoridis, Evangelos
Publisher: name: Kallipos, Open Academic Editions
Year: 2016
Subjects: ΒΑΣΕΙΣ ΔΕΔΟΜΕΝΩΝ
Databases
MySQL
SQL
RDBMS

description: Θέμα του προτεινόμενου ηλεκτρονικού συγγράμματος είναι ο προγραμματισμός και η διαχείριση σχεσιακών βάσεων δεδομένων με χρήση της γλώσσας προγραμματισμού SQL. Στόχος του συγγράμματος είναι η κάλυψη των βασικών στοιχείων της γλώσσας SQL και η υποστήριξη, τόσο με παρουσίαση της αντίστοιχης θεωρίας όσο και με παράθεση επιλυμένων εργασιών, ενός πρώτου εργαστηριακού μαθήματος βάσεων δεδομένων σε επίπεδο ΤΕΙ/ΑΕΙ. Τα παραδείγματα, οι ασκήσεις καθώς και οι εργασίες γίνονται στο σύστημα διαχείρισης σχεσιακών βάσεων δεδομένων MySQL 5.6, ένα σύστημα σύγχρονο και με ευρεία ανταπόκριση στην κοινότητα ανοιχτού λογισμικού.

Τα κεφάλαια του συγγράμματος είναι 14 και έχουν δομηθεί ώστε να μπορούν να αποτελέσουν αυτόνομες εργαστηριακές ασκήσεις. Το κάθε κεφάλαιο έχει την ακόλουθη δομή: 1) στοιχεία θεωρίας και παρουσίαση αντίστοιχων λειτουργιών/ εντολών της γλώσσας SQL, 2) παρουσίαση μίας λυμένης εργαστηριακής άσκησης, 3) μικρή βιντεοδιάλεξη (~15 λεπτών), όπου παρουσιάζονται εποπτικά βασικά στοιχεία της εργαστηριακής άσκησης στο σύστημα MySQL 5.6, 4) μη επιλυμένες ασκήσεις οι οποίες μπορεί να χρησιμεύσουν για εργαστηριακή εξέταση.

Συνοπτικά τα κεφάλαια του συγγράμματος θα καλύπτουν τα ακόλουθα:
1. Εισαγωγή στα Συστήματα Διαχείρισης Σχεσιακών ΒΔ / MySQL 5.6
2. Στοιχεία Θεωρίας Σχεδιασμού Σχεσιακών Βάσεων Δεδομένων
3. Δημιουργία Πινάκων – Data Definition Language (DDL)
4. Εισαγωγή Εγγραφών και Τροποποίηση Πινάκων
5. Βασική Δομή SQL Ερωτήματος
6. Βασικές Πράξεις Θεωρίας Συνόλων
7. Η Πράξη της Συνένωσης
8. Εμφωλευμένα Ερωτήματα
9. Συναθροίσεις
10. Άλλες Πράξεις Θεωρίας Συνόλων
11. Ενημέρωση Δεδομένων και Συνολική Επισκόπηση Ερωτημάτων
12. Υλοποίηση Stored Procedures / Χρήση Ευρετηρίων
13. Δοσοληψίες
14. Διασύνδεση με JAVA Εφαρμογές
Synthesis and Anticancer Assessment of Various Amide Derivatives of Imidazo[2,1-b]Oxazoles as Anticancer Agents
Creators: name: Syed, Tasqeeruddin
name: Asiri, Yahya I.
name: Shaheen, S.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Neuroscience
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Cancer
subject: Hematology

description: A new series of amide derivatives (9a–j) have been synthesized and their chemical structures characterized by the 1HNMR, 13CNMR, and mass spectroscopic techniques. The synthesized amide derivatives (9a–j) were evaluated for their in vitro anti-proliferative activity against four human cancer cell lines, including PC3 (prostate cancer), A549 (lung cancer), MCF7 (breast cancer), and A2780 (ovarian cancer) cells by employing the MTT assay. Results were expressed as IC50 values and were compared with the clinical drug, etoposide, used as a positive control. Among the synthesized amide derivatives, five compounds 9a, 9b, 9c, 9d, and 9g revealed potent anti-proliferative potential toward all cell lines. Primarily, two compounds 9a and 9b possessed the most promising anticancer activities.
On-demand microwave generator of shaped single photons
Creators: name: Forn-Díaz, P.
name: Warren, C. W.
name: Chang, C. W. S.
name: Vadiraj, A. M.
name: Wilson, C. M.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Quantum Physics (quant-ph)
subject: Superconductivity (cond-mat.supr-con)
subject: FOS: Physical sciences

description: We demonstrate the full functionality of a circuit that generates single microwave photons on demand, with a wave packet that can be modulated with a near-arbitrary shape. We achieve such a high tunability by coupling a superconducting qubit near the end of a semi-infinite transmission line. A dc superconducting quantum interference device shunts the line to ground and is employed to modify the spatial dependence of the electromagnetic mode structure in the transmission line. This control allows us to couple and decouple the qubit from the line, shaping its emission rate on fast time scales. Our decoupling scheme is applicable to all types of superconducting qubits and other solid-state systems and can be generalized to multiple qubits as well as to resonators.
description: 10 pages, 7 figures. Published version
Move slowly away from the print legacy of publishing - Versioning research articles and PIDs
Creators: name: Harrison, Melissa
Publisher: name: Zenodo
Year: 2020
Subjects: Publishing
Versioning
Research content
Pidapalooza 2020

description: A set of slides for presentation at Pidapalooza 2020 that list the different potential options for versioning research content when it is published and updated. The tables at the end of the slides should become richer after the presentation based on feedback and contribution from the attendees.
title: ADCO, Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Cart. 32 (G 136), 745 folios, f. 0297
Creators: name: de la Côte d'Or, Archives départementales
name: Petot, Frédéric
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CG21/F.PETOT/2012
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: cartulaire

description: Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Archives départementales de la Côte-d'Or, Cart. 32 (G 136), 745 folios, f. 0297, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Archives départementales de la Côte-d'Or, Cart. 32 (G 136), 745 folios, f. 0297, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https:// manuscrits.cbma-project.eu/
description: Provenance: abbaye Saint-Étienne de Dijon
description: Provenance: http://www.wikidata.org/entity/Q15945019
خدمات المكتبات العامة أثناء الجائحة
Creators: name: زكريا،محمود شريف احمد
Publisher: name: Zenodo
Year: 2020
Subjects: المكتبات العامه،اوقات الجائحه،الازمات الصحة العالمية،فيروس كورونا،كوفيد 19،ادارة الازمات

description: تسعى هذه المقالة إلى الكشف عن الأدوار الأساسية التي يمكن للمكتبات العامة القيام بها في أوقات الجائحة. وعليه، تقسم هذه المقالة الأساليب الإجرائية التي يحسن بالمكتبات العامة أن تتبناها للتعامل مع مثل هذا النوع من الأزمات إلى ثلاث فئات أساسية، هي: الاستجابات السلبية، والممارسات الفعالة، والمبادرات الاستباقية. فيما يتعلق بالأسلوب السلبي، فإنه يعد الخيار الأقل نفعا، إذ تتلخص فائدته الوحيدة في إمكانية التعاون مع مختلف قطاعات المجتمع من أجل وقف انتشار المرض. أما بالنسبة للممارسات الفعالة، فإنها تقوم على التخطيط الاستباقي والإجراءات السريعة التي تطرح عددا من الخدمات المفيدة للمجتمع في وقت الأزمة، مثل إتاحة الوصول إلى مصادر المعلومات عبر الإنترنت، والتحول من الخدمات التقليدية إلى الخدمات الافتراضية. أما بالنسبة للأسلوب الثالث، فيقوم على الابتكار والإبداع الإنساني، حيث يعد الأسلوب الأمثل، بسبب ما يقدمه من خدمات ذات قيمة بالنسبة للمجتمع الذي يكون في أمس الحاجة إلى هذه الخدمات. وفي الختام، تطرح هذه المقالة مصفوفة تعكس ردود أفعال المكتبات العامة أثناء الجائحة، استنادا إلى ثلاث مراحل لإدارة الأزمات. وخلصت هذه المقالة إلى أن اتباع أسلوب المبادرات الاستباقية تحديدا يعد السياسة الأكثر فاعلية، بحيث يمكن للمكتبات العامة أن تتبناها من أجل مواجهة التحديات الراهنة بفعالية، فضلاً عن مساعدة أفراد المجتمع أثناء الأزمات. هذا، ويعد كل من استخدام التقنيات الحديثة، وتعزيز فرص التضامن الفعال مع المجتمع، والتعاون مع الجهات المعنية بإدارة الأزمات، من أبرز الخطوات المهمة التي يجب على المكتبات أن تأخذها بعين الاهتمام في ظل هذه الأزمات
Docking Stimulations and Primary Assessment of Newly Synthesized Benzene Sulfonamide Pyrazole Oxadiazole Derivatives as Potential Antimicrobial and Antitubercular Agents
Creators: name: Shingare, Ramesh
name: Patil, Yogesh
name: Sangshetti, Jaiprakash
name: Patil, Rajesh
name: Rajani, Dhanji
name: Madje, Balaji
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Virology

description: A novel series of benzene sulfonamide pyrazole oxadiazole derivatives have been synthesized by reaction of 4-(5-(3-fluoro-4-methoxyphenyl)-3-(hydrazinecarbonyl)-1H-pyrazol-1-yl) benzene sulfonamide with different substituted benzoic/pyridinyl/indolyl acids in phosphorous oxychloride, characterized by IR, 1H NMR, 13C NMR, MS analytical data and evaluated for their antimicrobial as well as antitubercular activity. Molecular docking studies against Mycobacterium tuberculosis β-ketoacyl-acyl carrier protein synthase A, (Kas-A) was carried out to understand the possible mode of its inhibition and potential of synthesized compounds as antitubercular agents. Antibacterial activity of compounds 5d (3-Cl) and 5f (2,4-diCl) were found good against E. coli, P. aeruginosa, S. aureus and S. pyogenes as compared to standard Ampicillin. Compound 5d was found active antitubercular agents against M. tuberculosis H37Rv.
Why optional stopping can be a problem for Bayesians
Creators: name: de Heide, Rianne
name: Grünwald, Peter D.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Methodology (stat.ME)
subject: Statistics Theory (math.ST)
subject: FOS: Computer and information sciences
subject: FOS: Mathematics

description: Recently, optional stopping has been a subject of debate in the Bayesian psychology community. Rouder (2014) argues that optional stopping is no problem for Bayesians, and even recommends the use of optional stopping in practice, as do Wagenmakers et al. (2012). This article addresses the question whether optional stopping is problematic for Bayesian methods, and specifies under which circumstances and in which sense it is and is not. By slightly varying and extending Rouder's (2014) experiments, we illustrate that, as soon as the parameters of interest are equipped with default or pragmatic priors - which means, in most practical applications of Bayes factor hypothesis testing - resilience to optional stopping can break down. We distinguish between three types of default priors, each having their own specific issues with optional stopping, ranging from no-problem-at-all (Type 0 priors) to quite severe (Type II priors).
description: Replacement of Figures 7a-7d in the appendix. There was a mistake in the sampling plan. Thanks to Jorge Tendeiro for pointing this out. Replaced the main text with the final (published) version. Psychonomic Bulletin & Review 2020 Advance Publication
Additional file 2: of Intermittent fasting, energy balance and associated health outcomes in adults: study protocol for a randomised controlled trial
Creators: name: Templeman, Iain
name: Thompson, Dylan
name: Gonzalez, Javier
name: Jean-Philippe Walhin
name: Reeves, Sue
name: Rogers, Peter
name: Brunstrom, Jeffrey
name: Karagounis, Leonidas
name: Tsintzas, Kostas
name: Betts, James
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Computational Biology

description: Informed consent form. The informed consent form signed by participants to signify their entry into the study. (PDF 294 kb)
Random-field-induced disordering mechanism in a disordered ferromagnet: Between the Imry-Ma and the standard disordering mechanism
Creators: name: Andresen, Juan Carlos
name: Katzgraber, Helmut G.
name: Schechter, Moshe
Publisher: name: arXiv
Year: 2017
Subjects: subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: FOS: Physical sciences

description: Random fields disorder Ising ferromagnets by aligning single spins in the direction of the random field in three space dimensions, or by flipping large ferromagnetic domains at dimensions two and below. While the former requires random fields of typical magnitude similar to the interaction strength, the latter Imry-Ma mechanism only requires infinitesimal random fields. Recently, it has been shown that for dilute anisotropic dipolar systems a third mechanism exists, where the ferromagnetic phase is disordered by finite-size glassy domains at a random field of finite magnitude that is considerably smaller than the typical interaction strength. Using large-scale Monte Carlo simulations and zero-temperature numerical approaches, we show that this mechanism applies to disordered ferromagnets with competing short-range ferromagnetic and antiferromagnetic interactions, suggesting its generality in ferromagnetic systems with competing interactions and an underlying spin-glass phase. A finite-size-scaling analysis of the magnetization distribution suggests that the transition might be first order.
description: 12 pages, 7 figures, 4 tables
Additional file 3 of Diabetes as a risk factor for incident peripheral arterial disease in women compared to men: a systematic review and meta-analysis
Creators: name: Chase-Vilchez, Alyssa Z.
name: Chan, Isaac H. Y.
name: Peters, Sanne A. E.
name: Woodward, Mark
Publisher: name: figshare
Year: 2020
Subjects: subject: Medicine
subject: Biotechnology
subject: Science Policy
subject: Infectious Diseases
subject: FOS: Health sciences

description: Additional file 3: Table S1. Results of adapted Newcastle-Ottawa Quality Assessment Scale.
Time-dependent Landauer-Büttiker approach to charge pumping in AC-driven graphene nanoribbons
Creators: name: Ridley, Michael
name: Tuovinen, Riku
Publisher: name: arXiv
Year: 2017
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We apply the recently-developed partition-free time-dependent Landauer-Büttiker (TD-LB) formalism to the study of periodically-driven transport in graphene nanoribbons (GNR). When an AC driving is applied, this formalism can be used to prove generic conditions for the existence of a non-zero DC component of the net current (pump current) through the molecular device. Time-reversal symmetry breaking in the driving field is investigated and found to be insufficient for a non-zero pump current. We then derive explicit formulas for the current response to a particular biharmonic bias. We calculate the pump current through different GNR configurations and find that the sign and existence of a non-zero pump current can be tuned by simple alterations to the static parameters of the TD bias. Further, we investigate transient currents in different GNR configurations. We find a selection rule of even and odd harmonic response signal depending on a broken dynamical inversion symmetry in the bias.
Experimental Spectroscopic, Computational, Hirshfeld Surface, Molecular Docking Investigations on 1H-Indole-3-Carbaldehyde
Creators: name: Fatima, Aysha
name: Khanum, Ghazala
name: Sharma, Arun
name: Verma, Indresh
name: Arora, Himanshu
name: Siddiqui, Nazia
name: Javed, Saleem
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biophysics
Physical Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: 1H-Indole-3-carbaldehyde (1H-I3A) was investigated experimentally by NMR (1H-NMR and 13 C-NMR in solution form), FT-Raman, FT-IR, UV-Visible and quantum chemically by DFT approach. 3 D and 2 D surface analysis was carried by Hirshfeld surface analysis. The B3LYP method and the 6-311++G(d,p) basis set were used to optimize the molecular structure and vibrational modes. Optimized binding parameters and experimental binding parameters are in good agreement. VEDA (Vibrational Energy Distribution analysis) successfully carried out and complete tasks for the distribution of potential energy. 1H-NMR and 13 C-NMR shifts were estimated with GIAO method and the results compared with experimental spectra. The TDDFT method and the PCM solvent model were used for the analysis of electronic properties such as UV-Vis (in the gas phase, methanol and DMSO) and compared with the experimental UV-Vis spectra. The HOMO/LUMO energy results underscore that sufficient charge transfer has taken place within the molecule. Studies of donor-acceptor connections were performed using NBO analysis. The MEP surface analysis was performed and charge distribution was demonstrated. The degree of relative localization of electrons was analyzed using the FLF diagram. The Fukui functional analysis to find possible points of attack for various substituents. Molecular electrostatic potential (MEP) was created and 3-D color representation shows reactive sites. Study of donor-acceptor interconnections were done via NBO analysis. The biological study like molecular docking was done with 7 different receptors to find the best ligand-protein interactions and drug similarities.
Additional file 1: of Evaluating the prevalence and opportunity for technology use in chronic kidney disease patients: a cross-sectional study
Creators: name: Bonner, Ann
name: Gillespie, Kerri
name: Campbell, Katrina
name: Corones-Watkins, Katina
name: Hayes, Bronwyn
name: Harvie, Barbara
name: Jaimon Kelly
name: Havas, Kathryn
Publisher: name: figshare
Year: 2018
Subjects: subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Marine Biology
subject: Science Policy

description: Telehealth survey instrument. (PDF 162Â kb)
Additional file 1: of Wnt signaling and polarity in freshwater sponges
Creators: name: Reid, Pamela Windsor
name: Eugueni Matveev
name: McClymont, Alexandra
name: Posfai, Dora
name: Hill, April
name: Leys, Sally
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Evolutionary Biology
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: List of sources of sequence data obtained for phylogenetic analysis. (PDF 81 kb)
Constraining the CO intensity mapping power spectrum at intermediate redshifts
Creators: name: Padmanabhan, Hamsa
Publisher: name: arXiv
Year: 2017
Subjects: subject: Astrophysics of Galaxies (astro-ph.GA)
subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: FOS: Physical sciences

description: We compile available constraints on the carbon monoxide (CO) 1-0 luminosity functions and abundances at redshifts 0-3. This is used to develop a data driven halo model for the evolution of the CO galaxy abundances and clustering across intermediate redshifts. It is found that the recent constraints from the CO Power Spectrum Survey ($z \sim 3$; Keating et al. 2016), when combined with existing observations of local galaxies ($z \sim 0$; Keres et al. 2003), lead to predictions which are consistent with the results of smaller surveys at intermediate redshifts ($z \sim 1-2$). We provide convenient fitting forms for the evolution of the CO luminosity - halo mass relation, and estimates of the mean and uncertainties in the CO power spectrum in the context of future intensity mapping experiments.
description: 8 pages, 6 figures, 1 table; version accepted for publication in MNRAS
Synthesis and Anticancer Assessment of Various Amide Derivatives of Imidazo[2,1-b]Oxazoles as Anticancer Agents
Creators: name: Syed, Tasqeeruddin
name: Asiri, Yahya I.
name: Shaheen, S.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biochemistry
Medicine
Cell Biology
Neuroscience
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Cancer
Hematology

description: A new series of amide derivatives (9a–j) have been synthesized and their chemical structures characterized by the 1HNMR, 13CNMR, and mass spectroscopic techniques. The synthesized amide derivatives (9a–j) were evaluated for their in vitro anti-proliferative activity against four human cancer cell lines, including PC3 (prostate cancer), A549 (lung cancer), MCF7 (breast cancer), and A2780 (ovarian cancer) cells by employing the MTT assay. Results were expressed as IC50 values and were compared with the clinical drug, etoposide, used as a positive control. Among the synthesized amide derivatives, five compounds 9a, 9b, 9c, 9d, and 9g revealed potent anti-proliferative potential toward all cell lines. Primarily, two compounds 9a and 9b possessed the most promising anticancer activities.
Subconvexity for modular form L-functions in the t aspect
Creators: name: Booker, Andrew R.
name: Milinovich, Micah B.
name: Ng, Nathan
Publisher: name: arXiv
Year: 2017
Subjects: subject: Number Theory (math.NT)
subject: FOS: Mathematics

description: Modifying a method of Jutila, we prove a t aspect subconvexity estimate for L-functions associated to primitive holomorphic cusp forms of arbitrary level that is of comparable strength to Good's bound for the full modular group, thus resolving a problem that has been open for 35 years. A key innovation in our proof is a general form of Voronoi summation that applies to all fractions, even when the level is not squarefree.
description: minor revisions; to appear in Adv. Math.; 30 pages
Carrier-mediated optomechanical forces in semiconductor nanomembranes with coupled quantum wells
Creators: name: Barg, Andreas
name: Midolo, Leonardo
name: Kiršanskė, Gabija
name: Tighineanu, Petru
name: Pregnolato, Tommaso
name: İmamoǧlu, Ataç
name: Lodahl, Peter
name: Schliesser, Albert
name: Stobbe, Søren
name: Polzik, Eugene S.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: In the majority of optomechanical experiments, the interaction between light and mechanical motion is mediated by radiation pressure, which arises from momentum transfer of reflecting photons. This is an inherently weak interaction, and optically generated carriers in semiconductors have been predicted to be the mediator of different and potentially much stronger forces. Here we demonstrate optomechanical forces induced by electron-hole pairs in coupled quantum wells embedded into a free-free nanomembrane. We identify contributions from the deformation-potential and piezoelectric coupling and observe optically driven motion about three orders of magnitude larger than expected from radiation pressure. The amplitude and phase of the driven oscillations are controlled by an applied electric field, which tunes the carrier lifetime to match the mechanical period. Our work opens perspectives for not only enhancing the optomechanical interaction in a range of experiments, but also for interfacing mechanical objects with complex macroscopic quantum objects, such as excitonic condensates.
description: 11 pages, 8 figures, 1 table; revised diffusion model, accepted version, added acknowledgement
Silica-Supported Molybdic Acid-Catalyzed Synthesis of New and Known Chromeno-Pyrano[2,3-b]Quinolines through a Green Route
Creators: name: Boroumand, Shahla
name: Karami, Bahador
name: Farahi, Mahnaz
name: Akrami, Sedigheh
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biochemistry
Neuroscience
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified

description: A capable manner for the preparation of chromeno-pyrano[2,3-b]quinoline compounds is outlined. Pyrano[3,2-c]chromene-3-carbonitriles are synthesized via the one pot three-component reaction of aryl aldehydes, malononitrile and 4-hydroxycoumarin in the presence of silica sodium carbonate (SSC) as a heterogeneous basic catalyst. Next, the prepared pyrano[3,2-c]chromene-3-carbonitrile is reacted with cyclohexanone by using silica-supported molybdic acid (SSMA) as a worthy and recyclable catalyst for producing recognized and unrecognized chromeno-pyrano[2,3-b]quinoline derivatives under solvent-free conditions in good to excellent yields.
Silica Triflate Promoted Highly Efficient and Solvent-Free One-Pot Multicomponent Protocol for Synthesis of 2-Amino-4H-Chromenes
Creators: name: Nakhate, Arjun V.
name: Ingale, Ajit P.
name: Shinde, Sandeep V.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biochemistry
Molecular Biology
Neuroscience
Biotechnology
Mental Health

description: The synthesis of 2-amino-2-chromenes under solvent-free conditions is disclosed here using a silica triflate catalyzed one-pot three component condensation. The 2-amino-2-chromenes product was obtained in outstanding yield under the optimal reaction conditions of a range of functionalized aromatic aldehydes, malononitrile, and α/β-naphthol. This procedure stands out for its wide substrate scope, reduced reaction time, great yield, functional group compatibility, operational simplicity, and outstanding catalyst recyclability.
BDDC and FETI-DP for the Virtual Element Method
Creators: name: Bertoluzza, Silvia
name: Pennacchio, Micol
name: Prada, Daniele
Publisher: name: arXiv
Year: 2017
Subjects: subject: Numerical Analysis (math.NA)
subject: FOS: Mathematics
subject: 65N30, 65N55

description: We build and analyze Balancing Domain Decomposition by Constraint (BDDC) and Finite Element Tearing and Interconnecting Dual Primal (FETI-DP) preconditioners for elliptic problems discretized by the virtual element method (VEM). We prove polylogarithmic condition number bounds, independent of the number of subdomains, the mesh size, and jumps in the diffusion coefficients. Numerical experiments confirm the theory.
title: Rapport de voyage, Ile de France (1926) : Ligne de New-York, 1958, voyage n°8
Creators: name: De Beaudean, Raoul
name: Delafon, Michel
name: Nadal, Jean
name: Tournyol du Clos, Guy
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2024
Subjects: subject: Compagnie Générale Transatlantique
subject: Transports maritimes - Histoire
subject: Marine marchande
subject: Journaux de bord

description: Chapitrage : Rapport général / du capitaine - Rapport du commissaire - Rapport du second - Rapport de l'officier de sécurité - Rapport de l'officier de navigation - Rapport du médecin - Rapport contentieux
description: Source: French Lines & Compagnies, 1997 004 5072-21
description: Coverage: 1958-04-17/1958-05-02
Additional file 1: of Intermittent fasting, energy balance and associated health outcomes in adults: study protocol for a randomised controlled trial
Creators: name: Templeman, Iain
name: Thompson, Dylan
name: Gonzalez, Javier
name: Jean-Philippe Walhin
name: Reeves, Sue
name: Rogers, Peter
name: Brunstrom, Jeffrey
name: Karagounis, Leonidas
name: Tsintzas, Kostas
name: Betts, James
Publisher: name: figshare
Year: 2018
Subjects: subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Science Policy
subject: Computational Biology

description: Participant information sheet. The participant information sheet given to participants following an expression of interest in volunteering. (PDF 528 kb)
title: ADCO, Cart. 186 (11 H 71), f. 0409v
Creators: name: de la Côte d'Or, Archives départementales
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: CBMA/CG21/F.PETOT/2012
name: Petot, Frédéric
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2020
Subjects: subject: cartulaire
subject: Corpus Burgundiae Medii Aevi
subject: Chartes de la Bourgogne du Moyen Âge
subject: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris

description: Cartulaire général de Cîteaux, dit de Jean de Cirey, t. II (XVe siècle), tome II, Archives départementales de la Côte-d'Or, C
art. 186 (11 H 71). Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Cartulaire général de Cîteaux, dit de Jean de Cirey, t. II (XVe siècle), tome II, Archives départementales de la
 Côte-d'Or, Cart. 186 (11 H 71), f. 0409v, in Projet CBMA - Corpus Burgundiae Medii Aevi [Ressource en ligne], https://manuscrits.cbma-
project.eu/
description: Provenance: https://www.geonames.org/3024876
description: Provenance: http://www.idref.fr/030974844/id
description: Provenance: https://catalogue.bnf.fr/ark:/12148/cb12228351v
description: Provenance: abbaye de Cîteaux
description: Provenance: http://www.wikidata.org/entity/Q843261
Pyridine-1,3,4-Thiadiazole-Schiff Base Derivatives, as Antioxidant and Antimitotic Agent: Synthesis and in Silico ADME Studies
Creators: name: Pund, Amit A.
name: Shaikh, Mubarak H.
name: Chandak, Badrinarayan G.
name: Bhosale, Vijay N.
name: Magare, Baban K.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Medicine
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology

description: An efficient method developed for the synthesis of asymmetric (S)-N-benzylidene-2-(benzyloxy)-1-(5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl)ethanamine derivatives with excellent yield in short reaction time. The antioxidant and antimitotic activities were estimated and strongly correlated with the potential of Ascorbic acid and Methotrexate respectively. All the synthesized molecules were characterized using various spectral techniques including FTIR, 1H NMR, 13C NMR, and Mass spectrometry. The drug-likeness properties were studied using in silico ADME parameters. All the compounds have an acceptable range of values which indicated good drug-like characteristics based on Lipinski's rule of five and to be orally active. The present method is quite easy along with simple operation and offers many benefits including short reaction time, easy work-up, excellent yield, reduced waste production as well as cost effective. In addition structure-activity relationships of AP-1 to AP-10 derivatives have been described.
Bound states in the continuum in fiber Bragg gratings
Creators: name: Gao, Xingwei
name: Zhen, Bo
name: Soljačić, Marin
name: Chen, Hongsheng
name: Hsu, Chia Wei
Publisher: name: arXiv
Year: 2017
Subjects: subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: Optical fibers typically confine light through total internal reflection or through photonic bandgaps. Here we show that light can be perfectly guided in optical fibers through a different mechanism based on bound states in the continuum (BICs). In fibers with periodic Bragg gratings, we predict bona fide BICs in pure-polarization modes, as well as quasi-BICs in hybrid-polarization modes. These guided modes exist robustly without the need for fine structural tuning, and they persist even with the very small grating index contrasts that are available in conventional fiber Bragg gratings. The suppression of radiation loss arises from the coupling between a weakly-radiating mode and a strongly-radiating one. This finding opens the possibility of guiding light with BICs in optical fibers and their applications in distributed fiber sensors, in-line fiber filters, and high-power fiber lasers.
description: 12 pages, 5 figures