cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Additional file 3: of Operative Treatment of Intra-Articular Distal Radius Fractures With versus Without Arthroscopy: study protocol for a randomised controlled trial
Creators: name: Mulders, Marjolein
name: Selles, Caroline
name: Colaris, Joost
name: Peters, Rolf
name: Heijl, Mark Van
name: Cleffken, Berry
name: Schep, Niels
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Ecology
subject: Developmental Biology

description: Outerbridge classification for cartilage damage. (PDF 191Â kb)
Additional file 4: Table S1. of Larval superiority of Culex pipiens to Aedes albopictus in a replacement series experiment: prospects for coexistence in Germany
Creators: name: Müller, Ruth
name: Knautz, Timm
name: Vollroth, Simone
name: Berger, Robert
name: Kreß, Aljoscha
name: Reuss, Friederike
name: Groneberg, David
name: Kuch, Ulrich
Publisher: name: figshare
Year: 2018
Subjects: subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Marine Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: Parameter-specific relative crowding coefficients. Relative crowding coefficient values for female and male Ae. albopictus (RCCAe) and Cx. pipiens (RCCCx) based on biomass accumulation rate (BA), pupal dry weight (DW), pupal abdominal length (AL) and mean pupation time (PT50) are listed for the different experimental treatments. (DOCX 15 kb)
Additional file 1: Figure S1. of Identification of Characteristic Macromolecules of Escherichia coli Genotypes by Atomic Force Microscope Nanoscale Mechanical Mapping
Creators: name: Chang, Alice
name: Liu, Bernard
Publisher: name: figshare
Year: 2018
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Genetics
subject: Molecular Biology
subject: Physiology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Computational Biology

description: Mechanical evolution of E. coli cellular surface at time sequences. The images were the adhesion mapping of an E. coli MG1655 cell, and the continuous change in adhesion properties was monitored by AFM. The images were captured after (a) 30 min, (b) 60 min, (c) 90 min, (d) 120 min, (e) 150 min, (f) 180 min, (g) 210 min, and (h) 240 min from specimen preparation. The scale bars = 200 μm. (DOCX 1607 kb)
Four Component One Pot Synthesis of Benzyl Pyrazolyl Coumarin Derivatives Catalyzed by Metal-Free, Heterogeneous Chitosan Supported Ionic Liquid Carbon Nanotubes
Creators: name: Kure, Abhijeet S.
name: Konda, Shankaraiah G.
name: Chobe, Santosh S.
name: Mandawad, Gajanan G.
name: Hote, Baliram S.
Publisher: name: Taylor & Francis
Year: 2023
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified

description: In this present communication, four component, one pot synthesis of benzyl pyrazolyl coumarin (5a-m) derivatives achieved from the condensation of phenyl hydrazine (1), ethyl acetoacetate (EAA, 2), various substituted benzaldehyde (3), and 4-hydroxy coumarin (4) in EtOH/H2O using metal-free chitosan supported ionic liquid carbon nanotubes (CSIL@CNTs, 10 mol%) as heterogeneous catalyst reflux at 50 °C for 25–30 min. The optimized conditions and excellent yields of the products were reported. All the synthesized compounds were charecterized by the spectroscopic methods. The main advantages of this reported method using CSIL@CNTs. leads to effective conversions were achieved under reflux conditions without the need of an inert atmosphere. In adition, shorter reaction time, simple work up procedure, easy preparation of the catalyst, and chemoselectivity were siginificantly recorded.
Fano varieties with large Seshadri constants
Creators: name: Zhuang, Ziquan
Publisher: name: arXiv
Year: 2017
Subjects: subject: Algebraic Geometry (math.AG)
subject: FOS: Mathematics

description: We show that the set of Fano varieties (with arbitrary singularities) whose anticanonical divisors have large Seshadri constants satisfies certain weak and birational boundedness. We also classify singular Fano varieties of dimension $n$ whose anticanonical divisors have Seshadri constants at least $n$, generalizing an earlier result of Liu and the author.
description: 26 pages; revised version. Accepted by Adv. Math
Narrow optical linewidths and spin pumping on charge-tunable, close-to-surface self-assembled quantum dots in an ultra-thin diode
Creators: name: Löbl, Matthias C.
name: Söllner, Immo
name: Javadi, Alisa
name: Pregnolato, Tommaso
name: Schott, Rüdiger
name: Midolo, Leonardo
name: Kuhlmann, Andreas V.
name: Stobbe, Søren
name: Wieck, Andreas D.
name: Lodahl, Peter
name: Ludwig, Arne
name: Warburton, Richard J.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
subject: FOS: Physical sciences

description: We demonstrate full charge control, narrow optical linewidths, and optical spin pumping on single self-assembled InGaAs quantum dots embedded in a $162.5\,\text{nm}$ thin diode structure. The quantum dots are just $88\,\text{nm}$ from the top GaAs surface. We design and realize a p-i-n-i-n diode that allows single-electron charging of the quantum dots at close-to-zero applied bias. In operation, the current flow through the device is extremely small resulting in low noise. In resonance fluorescence, we measure optical linewidths below $2\,μ\text{eV}$, just a factor of two above the transform limit. Clear optical spin pumping is observed in a magnetic field of $0.5\,\text{T}$ in the Faraday geometry. We present this design as ideal for securing the advantages of self-assembled quantum dots -- highly coherent single photon generation, ultra-fast optical spin manipulation -- in the thin diodes required in quantum nano-photonics and nano-phononics applications.
description: 11 pages, 8 figures
Bioactive Small Molecule, Piperazinium Bis(4-Hydroxybenzenesulphonate) upon Spectral Investigation, Hirshfeld Surface Analysis, Molecular Docking and ADMET Prediction: A Complement DFT Calculations
Creators: name: Vincy, C. Dabora
name: George, Jesby
name: Tarika, J. D. Deephlin
name: Balachandar, S.
name: Shihab, N. K.
name: Beaula, T. Joselin
Publisher: name: Taylor & Francis
Year: 2022
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Pharmacology
Biotechnology
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: Piperazinium bis (4-hydroxybenzenesulphonate) (P4HBS) was studied using FT-IR, FT-Raman, UV spectra, and quantum chemical calculations. To obtain the geometry of the molecule, computational methods were used with the Gaussian’09w package and B3LYP/cc-pVTZ as the basis set. The stretching wave number of hydrogen bond donor NH2+ and hydrogen bond acceptor SO3− is red shifted due to protonation, according to vibrational analysis. Frontier molecular orbital analysis was used to confirm the molecule’s molecular reactivity and kinetic stability. The electronic transition observed in the UV-visible spectrum, which was measured experimentally, was identified using TD-DFT. MEP plot, Fukui function. Natural population analysis confirm that OH groups and SO3 groups are electrophilic attack sites, while hydrogen atoms in the Piperazinium ring are nucleophilic attack sites. The Independent Gradient Model (IGM) and Hirshfeld surface analysis were used to determine the weak van der Waals and strong intermolecular hydrogen bonding interactions, respectively. The antifungal activity against the fungus Candida albicans and Aspergillus flaves was determined by the disk diffusion technique. Through binding energy, molecular docking studies were performed to identify the effective lead compound against the C. albicans fungal pathogen. ADMET properties with improved pharmacokinetic properties were predicted.
Additional file 2: of Operative Treatment of Intra-Articular Distal Radius Fractures With versus Without Arthroscopy: study protocol for a randomised controlled trial
Creators: name: Mulders, Marjolein
name: Selles, Caroline
name: Colaris, Joost
name: Peters, Rolf
name: Heijl, Mark Van
name: Cleffken, Berry
name: Schep, Niels
Publisher: name: figshare
Year: 2018
Subjects: subject: Science Policy
subject: 111714 Mental Health
subject: FOS: Health sciences

description: SPIRIT 2013 checklist. Standard Protocol Items: Recommendations for Interventional Trials. (DOC 123Â kb)
A Fenchel-Moreau theorem for $\bar L^0$-valued functions
Creators: name: Drapeau, Samuel
name: Jamneshan, Asgar
name: Kupper, Michael
Publisher: name: arXiv
Year: 2017
Subjects: subject: Functional Analysis (math.FA)
subject: FOS: Mathematics
subject: 46A20, 03C90, 46B22

description: We establish a Fenchel-Moreau type theorem for proper convex functions $f\colon X\to \bar{L}^0$, where $(X, Y, \langle \cdot,\cdot \rangle)$ is a dual pair of Banach spaces and $\bar L^0$ is the space of all extended real-valued functions on a $σ$-finite measure space. We introduce the concept of stable lower semi-continuity which is shown to be equivalent to the existence of a dual representation $$\smash{ f(x)=\sup_{y \in L^0(Y)} \left\{\langle x, y \rangle - f^\ast(y)\right\}, \quad x\in X,} $$ where $L^0(Y)$ is the space of all strongly measurable functions with values in $Y$, and $\langle \cdot,\cdot \rangle$ is understood pointwise almost everywhere. The proof is based on a conditional extension result and conditional functional analysis.
description: 10 pages, [v2]: incorporating reviewer's comments, final version accepted for publication
MOESM2 of A scalable method to quantify the relationship between urban form and socio-economic indexes
Creators: name: Venerandi, Alessandro
name: Quattrone, Giovanni
name: Capra, Licia
Publisher: name: figshare
Year: 2018
Subjects: subject: Molecular Biology
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: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics

description: Additional file 2. This represents the frequency distribution plots of the residuals of the SAR models, for the six cities considered. (pdf)
title: ADCO, Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Cart. 29 (G 134), 996 folios, f. 0630
Creators: name: de la Côte d'Or, Archives départementales
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: 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: Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Archives départementales de la Côte-d'Or, Cart. 29 (G 134), 996 folios, f. 0630, Numérisation en mode image.
description: Relation: http://www.cbma-project.eu/
description: Bibliographic citation: Septième cartulaire de Saint-Étienne de Dijon (1661-1665), Archives départementales de la Côte-d'Or, Cart. 29 (G 134), 996 folios, f. 0630, 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
title: Μαθηματική Ανάλυση
title: ΠΡΑΓΜΑΤΙΚΗ ΣΥΝΑΡΤΗΣΗ ΜΙΑΣ ΠΡΑΓΜΑΤΙΚΗΣ ΜΕΤΑΒΛΗΤΗΣ
titleType: AlternativeTitle
Creators: name: Adam, Maria
name: Adam, Maria
name: Chatzaras, Ioannis
name: Chatzaras, Ioannis
name: Asimakis, Nikolaos
name: Asimakis, Nikolaos
Publisher: name: Kallipos, Open Academic Editions
Year: 2016
Subjects: ΠΡΑΓΜΑΤΙΚΗ ΣΥΝΑΡΤΗΣΗ ΠΡΑΓΜΑΤΙΚΗΣ ΜΕΤΑΒΛΗΤΗΣ
ΑΚΟΛΟΥΘΙΑ ΠΡΑΓΜΑΤΙΚΩΝ ΑΡΙΘΜΩΝ
ΟΡΙΟ ΣΥΝΑΡΤΗΣΗΣ
ΠΑΡΑΓΩΓΟΣ ΣΥΝΑΡΤΗΣΗΣ
ΔΙΑΦΟΡΙΚΟ
ΑΟΡΙΣΤΟ ΟΛΟΚΛΗΡΩΜΑ
ΟΡΙΣΜΕΝΟ ΟΛΟΚΛΗΡΩΜΑ
ΕΦΑΡΜΟΓΕΣ ΟΛΟΚΛΗΡΩΜΑΤΟΣ ΣΤΙΣ ΣΥΝΗΘΕΙΣ ΔΙΑΦΟΡΙΚΕΣ ΕΞΙΣΩΣΕΙΣ
ΣΕΙΡΕΣ ΠΡΑΓΜΑΤΙΚΩΝ ΑΡΙΘΜΩΝ
ΔΥΝΑΜΟΣΕΙΡΕΣ
ΣΕΙΡΕΣ ΣΥΝΑΡΤΗΣΕΩΝ
ΓΕΝΙΚΕΥΜΕΝΟ ΟΛΟΚΛΗΡΩΜΑ
ΜΕΤΑΣΧΗΜΑΤΙΣΜΟΣ ΛΑΠΛΑΣ
ΜΕΤΑΣΧΗΜΑΤΙΣΜΟΣ ΦΟΥΡΙΕ
Function
Sequence
Derivative
Differential
Indefinite Integral
Definite Integral
Ordinary Differential Equations Of The First Order
Series
Power Series
Taylor Series
Fourier Series
Improper Integral
Laplace Transformation
Fourier Transformation

description: Το προτεινόμενο βιβλίο περιλαμβάνει εκείνη την ύλη των μαθηματικών, που διδάσκεται ως Μαθηματική Ανάλυση Ι ή Λογισμός συναρτήσεων μίας μεταβλητής ή Μαθηματικά Ι, στα πρώτα εξάμηνα των Τμημάτων, των Θετικών και Φυσικών Επιστημών, των Πολυτεχνικών, Οικονομικών και Κοινωνικών Σχολών αλλά και Σχολών Τεχνολογικών Εφαρμογών των ΤΕΙ. Απευθύνεται σε προπτυχιακούς φοιτητές και σπουδαστές ως κύριο σύγγραμμα και σε πτυχιούχους ως ένα χρήσιμο ηλεκτρονικό βιβλίο αναφοράς. Στο περιεχόμενό του ο αναγνώστης μπορεί να βρει υλικό που σχετίζεται με:
- το λογισμό και τη μελέτη συνάρτησης μίας πραγματικής μεταβλητής,
- το αόριστο, το ορισμένο, το γενικευμένο ολοκλήρωμα και τις εφαρμογές τους,
- τις ακολουθίες πραγματικών αριθμών,
- τις σειρές πραγματικών αριθμών και συναρτήσεων.

Στο βιβλίο επιχειρείται η παρουσίαση της θεωρητικής δομής και μεθοδολογίας της Μαθηματικής Ανάλυσης με συστηματικό και απλό τρόπο, με ακρίβεια και πληρότητα, εφ’ όσον οι έννοιες ακολουθία, όριο, συνέχεια, παράγωγος και ολοκλήρωμα, είναι γνωστές από το Λύκειο. Στόχος είναι η εύχρηστη αναφορά στην ύλη του λογισμού των συναρτήσεων μίας πραγματικής μεταβλητής και η κατανόηση των θεμελιωδών εννοιών του διαφορικού και ολοκληρωτικού λογισμού, ως υπόβαθρο σε άλλα προπτυχιακά μαθήματα, όπως Σήματα Συστήματα, Ψηφιακή Επεξεργασία Σημάτων, κ.ά. Για το σκοπό αυτό, η ύλη είναι αυστηρά διατυπωμένη, με Ορισμούς, Θεωρήματα και Προτάσεις, χωρίς μακροσκελείς αποδείξεις και η παρουσίασή της στηρίζεται σε επιλεγμένα παραδείγματα και εφαρμογές. Επίσης, για την αφομοίωση των όρων της Μαθηματικής Ανάλυσης αξιοποιούνται οι γνώσεις και οι δυνατότητες, που δίνει η τεχνολογική ανάπτυξη των υπολογιστών, γράφοντας προγράμματα με τη χρήση κάποιου συστήματος υπολογιστικής άλγεβρας (Mathematica/Matlab/Octave).
Κάθε κεφάλαιο θα περιλαμβάνει:
• θεωρία
• παραδείγματα και εφαρμογές με αναφορές στη θεωρία μέσω συνδέσμων
• άλυτες ασκήσεις με τις απαντήσεις, ώστε να μπορεί ο αναγνώστης να κάνει αυτοαξιολόγηση
• βιβλιογραφία, τυπολόγιο.
Nonlinear Stability of Relativistic Vortex Sheets in Three-Dimensional Minkowski Spacetime
Creators: name: Chen, Gui-Qiang
name: Secchi, Paolo
name: Wang, Tao
Publisher: name: arXiv
Year: 2017
Subjects: subject: Analysis of PDEs (math.AP)
subject: FOS: Mathematics
subject: 35L65, 35Q35, 76E17, 76N10, 76Y05, 85A30

description: We are concerned with the nonlinear stability of vortex sheets for the relativistic Euler equations in three-dimensional Minkowski spacetime. This is a nonlinear hyperbolic problem with a characteristic free boundary. In this paper, we introduce a new symmetrization by choosing appropriate functions as primary unknowns. A necessary and sufficient condition for the weakly linear stability of relativistic vortex sheets is obtained by analyzing the roots of the Lopatinski\uı determinant associated to the constant coefficient linearized problem. Under this stability condition, we show that the variable coefficient linearized problem obeys an energy estimate with a loss of derivatives. The construction of certain weight functions plays a crucial role in absorbing error terms caused by microlocalization. Based on the weakly linear stability result, we establish the existence and nonlinear stability of relativistic vortex sheets under small initial perturbations by a Nash--Moser iteration scheme.
description: 105 pages; to appear in: Arch. Ration. Mech. Anal. 2018
Photometric Redshifts with the LSST: Evaluating Survey Observing Strategies
Creators: name: Graham, Melissa L.
name: Connolly, Andrew J.
name: Ivezić, Željko
name: Schmidt, Samuel J.
name: Jones, R. Lynne
name: Jurić, Mario
name: Daniel, Scott F.
name: Yoachim, Peter
Publisher: name: arXiv
Year: 2017
Subjects: subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: Astrophysics of Galaxies (astro-ph.GA)
subject: FOS: Physical sciences

description: In this paper we present and characterize a nearest-neighbors color-matching photometric redshift estimator that features a direct relationship between the precision and accuracy of the input magnitudes and the output photometric redshifts. This aspect makes our estimator an ideal tool for evaluating the impact of changes to LSST survey parameters that affect the measurement errors of the photometry, which is the main motivation of our work (i.e., it is not intended to provide the "best" photometric redshifts for LSST data). We show how the photometric redshifts will improve with time over the 10-year LSST survey and confirm that the nominal distribution of visits per filter provides the most accurate photo-$z$ results. The LSST survey strategy naturally produces observations over a range of airmass, which offers the opportunity of using an SED- and $z$-dependent atmospheric affect on the observed photometry as a color-independent redshift indicator. We show that measuring this airmass effect and including it as a prior has the potential to improve the photometric redshifts and can ameliorate extreme outliers, but that it will only be adequately measured for the brightest galaxies, which limits its overall impact on LSST photometric redshifts. We furthermore demonstrate how this airmass effect can induce a bias in the photo-$z$ results, and caution against survey strategies that prioritize high-airmass observations for the purpose of improving this prior. Ultimately, we intend for this work to serve as a guide for the expectations and preparations of the LSST science community with regards to the minimum quality of photo-$z$ as the survey progresses.
description: 25 pages, 16 figures, 2 tables, accepted to AJ
SANIDADE DE MOLUSCOS BIVALVES EM RELAÇÃO AS BIOTOXINAS MARINHAS
Creators: name: Barbieri, Edison
Publisher: name: Zenodo
Year: 2015
Subjects: biotoxinas, moluscos, maricultura

description: A proliferação de certas algas microscópicas (microalgas), marinhas ou de água doce, pode causar diversos problemas para o homem e para o ecossistema como um todo. Quando a proliferação dessas algas é grande, o fenômeno é designado por “Harmful Algal Blooms”, ou HABs (‘proliferações de algas nocivas’). A proliferação massiva de microalgas pode ter aparentemente poucos efeitos no ecossistema ou afetar fortemente diversos organismos aquáticos por mecanismos diversos como: anóxia, produção de toxinas (ictiotoxinas), efeito mecânico da estrutura anatômica da sua parede celular nos tecidos delicados das brânquias (Vale, 2004). As HABs (Figura 1) têm um forte impacto negativo na pesca, especialmente quando causam grande mortalidade de espécies cultivadas em gaiolas, como o salmão, que não podem escapar do local onde ocorre o fenômeno (Landsberg, 2002).
Synthesis, Biochemical Characterization, and in-Silico Investigations of Acyl-3-(Ciprofloxacinyl) Thioureas as Inhibitors of Carbonic Anhydrase-II
Creators: name: Saeed, Aamer
name: Ejaz, Syeda Abida
name: Saeed, Maria
name: Channar, Pervaiz Ali
name: Aziz, Mubashir
name: Fayyaz, Ammara
name: Zargar, Seema
name: Wani, Tanveer A.
name: Alnazi, Humidah
name: Alharbi, Mona
name: Iqbal, Jamshed
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biophysics
subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Pharmacology
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified

description: A new series of 1-(acyl/aroyl)-3-(ciprofloxacinyl) thioureas (5a–o) was synthesized by the reaction of ciprofloxacin (4) in dry acetone with acyl isothiocyanate intermediate (3). The synthesized compounds were characterized by FT-IR, 1H-NMR, and 13C-NMR. Furthermore, the synthesized compounds were tested for inhibitory potential against carbonic anhydrase (CA-II) and 15 lipoxygenase (LOX) enzymes. The tested compounds exhibited maximum inhibition of CA-11 with moderate anti-inflammatory potential, at the same concentration, i.e. 100 µM, therefore, can be considered as the selective inhibitors of CA-II. Among the tested derivatives 5g showed remarkable inhibitory activity against CA enzyme with IC50 value of 0.97 ± 0.11 µM and this derivative exhibited approximately 40% inhibition of 15-LOX, indicating that compound has moderate anti-inflammatory properties. The molecular docking studies, density functional theory (DFT) calculations, and molecular dynamic (MD) simulation studies were performed to evaluate their binding affinities, stability, and chemical reactivity within the active pocket of the targeted enzymes. The docking analysis and MD simulation studies revealed that the most active inhibitor 5g showed important interactions within the binding pockets of CA-II and may be responsible for the inhibitory activity of the compound toward the targeted enzymes. Therefore, the screened derivatives provided an outstanding platform for further development of CA inhibitors.
Evaluation of statistical modeling approaches for epidemiologic studies of low-dose radiation health effects
Creators: name: Golden, Ashley P.
name: Cohen, Sarah S.
name: Chen, Heidi
name: Ellis, Elizabeth D.
name: Boice, John D.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Cancer

description: A substantial body of epidemiologic literature addresses risks associated with occupational radiation exposure but comparing results between studies is often difficult as different statistical models are commonly used. It is unclear whether different methods produce similar results for estimates of radiation risk when applied to the same data. The goal of this study was to compare the radiation risk estimates for leukemia other than chronic lymphocytic leukemia (non-CLL) and ischemic heart disease (IHD) produced by both Cox and Poisson regression models for time-dependent dose-response analyses of occupational exposure. For brevity, this methods paper presents the results from one cohort, the Nuclear Power Plant workers (NPP), though the evaluation considered five cohorts of varying size and exposure as part of the Million Worker Study. Cox Proportional Hazards models, with age as the underlying timescale for hazard, were conducted using three computer software programs: SAS, R, and Epicure. Doses lagged 2 years for non-CLL and 10 years for ischemic heart disease were treated as time-dependent exposures at the annual level and were examined both in categories and as a continuous term. Hazard ratios (HR) and 95% confidence intervals (CI) were reported for each model in SAS and R, while the Peanuts program of Epicure was utilized to produce Excess Relative Risk (ERR) estimates and 95% CI. All models were adjusted for gender and year of birth. Four piece-wise exponential Poisson models (log-linear regression for rate) were developed with varying cutpoints for age strata from very fine to broad categories using both R and the Amfit program in Epicure for ERR estimates. Comparable estimates of risk (both RR and ERR) were observed from Cox and Poisson models, regardless of software utilized, as long as appropriately narrow categories of age were utilized to control the confounding of age in Poisson models. The ERR estimates produced in Epicure tended to agree very closely with the HR or RR estimates, and the statistical software program used had no impact to risk estimates for the same model. As computational power is no longer the burden today as it has been in the past, the results of this evaluation support the use of the Cox proportional hazards or the ungrouped Poisson approach to analyzing time-dependent dose-response relationships to ensure that maximum control over the confounding of age is achieved in studies of mortality for cohorts occupationally exposed to radiation.
Mortality from Leukemia, Cancer and Heart Disease among U.S. Nuclear Power Plant Workers, 1957-2011
Creators: name: Boice, John D.
name: Cohen, Sarah S.
name: Mumma, Michael T.
name: Hagemeyer, Derek A.
name: Chen, Heidi
name: Golden, Ashley P.
name: Yoder, R. Craig
name: Dauer, Lawrence T.
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer
subject: Hematology

description: The aim of the Million Person Study (MPS) of Low Dose Health Effects is to examine the level of radiation risk for chronic exposures received gradually over time and not acutely as was the case for the Japanese atomic bomb survivors. Nuclear power plant (NPP) workers comprise nearly 15 percent of the MPS. Leukemia, selected cancers, Parkinson’s disease, ischemic heart disease (IHD) and other causes of death are evaluated. The U.S. Nuclear Regulatory Commission’s Radiation Exposure Information and Reporting System (REIRS) and the Landauer, Inc. dosimetry databases identified 135,193 NPP workers first monitored 1957-1984. Annual personal dose equivalents [Hp(10)] were available for each worker. Radiation records from all places of employment were sought. Vital status was determined through 2011. Mean absorbed doses to red bone marrow (RBM), esophagus, lung, colon, brain and heart were estimated by adjusting the recorded Hp(10) for each worker by scaling factors, accounting for exposure geometry and energy of the incident gamma radiation. Standardized mortality ratios (SMR) were calculated. Radiation risks were estimated using Cox proportional hazards models. Nearly 50% of workers were employed for more than 20 years. The mean duration of follow-up was 30.2 y. Overall, 29,076 total deaths occurred, 296 from leukemia other than chronic lymphocytic leukemia (CLL), 3,382 from lung cancer, 140 from Parkinson’s disease and 5,410 from IHD. The mean dose to RBM was 37.9 mGy (maximum 1.0 Gy; percent >100 mGy was 9.2%), 43.2 mGy to lung, 43.7 mGy to colon, 33.2 mGy to brain, and 43.9 mGy to heart. The SMRs (95% CI) were 1.06 (0.94;1.19) for leukemia other than CLL, 1.10 (1.07;1.14) for lung cancer, 0.90 (0.76;1.06) for Parkinson’s disease, and 0.80 (0.78; 0.82) for IHD. The excess relative risk (ERR) per 100 mGy for leukemia other than CLL was 0.15 (90% CI 0.001; 0.31). For all solid cancers the ERR per 100 mGy (95% CI) was 0.01 (-0.03; 0.05), for lung cancer -0.04 (-0.11; 0.02), for Parkinson’s disease 0.24 (-0.02; 0.50), and for IHD -0.01 (-0.06; 0.04). Prolonged exposure to radiation increased the risk of leukemia other than CLL among NPP workers. There was little evidence for a radiation-association for all solid cancers, lung cancer or ischemic heart disease. Increased precision will be forthcoming as the different cohorts within the MPS are combined, such as industrial radiographers and medical radiation workers who were assembled and evaluated in like manner.
MOESM3 of Life-cycle assessment of transportation biofuels from hydrothermal liquefaction of forest residues in British Columbia
Creators: name: Yuhao Nie
name: Xiaotao Bi
Publisher: name: figshare
Year: 2018
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Science Policy

description: Additional file 3. Equipment energy input and process emission factors.
title: Διγλωσσία & Διδασκαλία της Ελληνικής ως Δεύτερης Γλώσσας
title: ΕΦΑΡΜΟΓΕΣ & ΘΕΩΡΗΤΙΚΕΣ ΠΡΟΣΕΓΓΙΣΕΙΣ
titleType: AlternativeTitle
Creators: name: Skourtou, Eleni
name: Kourti-Kazoulli, Vassilia
name: Sella-Mazi, Eleni
name: Chatzidaki, Aspasia
name: Androusou, Alexandra
name: Revythiadou, Anthoula
name: Tsokalidou, Petroula
Publisher: name: Kallipos, Open Academic Editions
Year: 2016
Subjects: ΓΛΩΣΣΙΚΗ ΕΤΕΡΟΤΗΤΑ
ΔΙΓΛΩΣΣΙΑ ΔΙΔΑΣΚΑΛΙΑ ΕΛΛΗΝΙΚΗΣ ΩΣ ΔΕΥΤΕΡΗΣ ΓΛΩΣΣΑΣ
ΑΛΛΟΔΑΠΟΙ & ΠΑΛΛΙΝΟΣΤΟΥΝΤΕΣ ΜΑΘΗΤΕΣ
ΜΟΥΣΟΥΛΜΑΝΟΙ ΜΑΘΗΤΕΣ ΡΟΜΑ ΜΑΘΗΤΕΣ
ΟΜΟΓΕΝΕΙΣ ΜΑΘΗΤΕΣ ΔΙΔΑΣΚΑΛΙΑ ΕΛΛΗΝΙΚΗΣ ΣΕ ΗΛΕΚΤΡΟΝΙΚΟ ΠΕΡΙΒΑΒΑΛΛΟΝ
Language Diversity Bilingualism Teaching Of Second Language
Greek As A Second Language Biliingual Students Immigrant Repatriated Students In The Diaspora Muslim & Roma Students Teaching Greek In E-context

description: Η Διγλωσσία στην Ελλάδα όπως και στον υπόλοιπο κόσμο, κατ' αρχάς εξηγείται ιστορικά: πολλές γλώσσες και γλωσσικές ποικιλίες συνυπάρχουν στον ελλαδικό χώρο, επειδή αυτός ο χώρος υπήρξε τμήμα μεγάλων πολυγλωσσικών και πολυποτισμικών κρατικών σχηματισμών, όπως ήταν η Οθωμανική Αυτοκρατορία. Στη πιo πρόσφατη ιστορία, η μετανάστευση και οι μετακινήσεις ανθρώπων από και προς την Ελλάδα δημιουργούν πρόσθετα είδη διγλωσσίας με την Ελληνική να συνυπάρχει με άλλες γλώσσες. Αυτό δημιουργεί την αναγκαιότητα διδασκαλίας της Ελληνικής ως δεύτερης γλώσσας μέσα από τη σκοπιά της διγλωσσίας. Πολλές εφαρμογές έχουν σχεδιαστεί & υλοποιηθεί στο πλαίσιο προγραμμάτων εκπαιδευτικής παρέμβασης μεγάλης κλίμακας που απευθύνονται σε ειδικές ομάδες μαθητών (Μουσουλμάνοι μαθητές στη Θράκη, Ρομά, αλλοδαποί και παλιννοστούντες μαθητές, μαθητές ελληνικής καταγωγής στη διασπορά), χρηματοδοτούνται από ευρωπαϊκούς και εθνικούς πόρους και υλοποιούνται από ελληνικά πανεπιστήμια. Το κοινό στοιχείο που έχουν τα προγράμματα αυτά, αν και εστιάζουν σε διαφορετικές πληθυσμιακές ομάδες, είναι η διδασκαλία/εκμάθηση της Ελληνικής ως δεύτερης γλώσσας. Σε κάθε περίπτωση έχουμε ένα διακριτό είδος διγλωσσίας με διαφορετικές γλώσσες να συνδυάζονται με την Ελληνική. Σε αυτό το πλαίσιο αναπτύχθηκε πολύτιμη εμπειρία σε σχέση με τη διδασκαλία της Ελληνικής ως δεύτερης γλώσσας. Η εμπειρία αυτή εμπλουτίζεται συνεχώς από εφαρμογές σε ηλεκτρονικό περιβάλλον. Τα συμπεράσματα από τη διδασκαλία της Ελληνικής ως δεύτερης γλώσσας σε συμβατικό και ηλεκτρονικό περιβάλλον και μέσα από τη σκοπιά της διγλωσσίας έχουν ευρύτερη σημασία γιατί συμβάλλουν σε έναν επαναπροσδιορισμό τόσο της διδασκαλίας της μητρικής όσο και της διδασκαλίας της ξένης γλώσσας.
MOESM1 of A set of microsatellite markers to differentiate Plasmodium falciparum progeny of four genetic crosses
Creators: name: Figan, Christine
name: SĂĄ, Juliana
name: Jianbing Mu
name: Melendez-Muniz, Viviana
name: Liu, Chia
name: Wellems, Thomas
Publisher: name: figshare
Year: 2018
Subjects: subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: Genetics
subject: FOS: Biological sciences
subject: Developmental Biology
subject: Cancer
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: Plant Biology

description: Additional file 1. â Fundamental insights from four P. falciparum genetic crossesâ summarizes major findings and reports using the P. falciparum genetic crosses.
Copper (II) Complex Immobilized on Magnetic Nanoparticles Functionalized with Imine/Thio Ligand (Fe3O4@SiO2-Imine/Thio-Cu(II)): A Novel, Efficient and Reusable Nanomagnetic Catalysts for the Synthesis of 2,4,6-Triaryl Pyridines
Creators: name: Raya, Indah
name: Solanki, Reena
name: Alhachami, Firas Rahi
name: Jalil, Abduladheem Turki
name: Mustafa, Yasser Fakri
Publisher: name: Taylor & Francis
Year: 2023
Subjects: subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified

description: Herein we introduce a novel and reusable nanomagnetic copper catalyst (Fe3O4@SiO2-Imine/Thio-Cu(II)) constructed by immobilizing copper (II) complex on the surface of magnetic nanoparticles functionalized with Imine/Thio group. The structure of the as-constructed Fe3O4@SiO2-Imine/Thio-Cu(II) nanomaterial was well analyzed by a number of spectroscopic techniques including: FT-IR, SEM, TEM, EDX, XRD, VSM, AAS and ICP-OES. Experimental studies have well revealed that Fe3O4@SiO2-Imine/Thio-Cu(II) nanomaterial is an ecofriendly and efficient nanocatalyst for synthesis of 2,4,6-triaryl pyridines (82%–98%) via a C-N bond cleavage of benzylamines under aerobic oxidations in PEG at 120 °C. The grafting of the copper catalyst to the surface of magnetic nanoparticles has increased the catalytic activity of the material and also simplified catalyst recovery from the reaction mixture by an external magnet. The Fe3O4@SiO2-Imine/Thio-Cu(II) nanocatalyst was readily recovered by simple magnetic decantation and can be reused seven cycles without considerable loss in catalytic activity.
The SNPR neighbourhood of tree-child networks
Creators: name: Klawitter, Jonathan
Publisher: name: arXiv
Year: 2017
Subjects: subject: Combinatorics (math.CO)
subject: FOS: Mathematics
subject: 05C99, 92D15, 68R10

description: Network rearrangement operations like SNPR (SubNet Prune and Regraft), a recent generalisation of rSPR (rooted Subtree Prune and Regraft), induce a metric on phylogenetic networks. To search the space of these networks one important property of these metrics is the sizes of the neighbourhoods, that is, the number of networks reachable by exactly one operation from a given network. In this paper, we present exact expressions for the SNPR neighbourhood of tree-child networks, which depend on both the size and the topology of a network. We furthermore give upper and lower bounds for the minimum and maximum size of such a neighbourhood.
description: update to published version and fix typos
Additional file 1: of Integration of conventional and advanced molecular tools to track footprints of heterosis in cotton
Creators: name: Sarfraz, Zareen
name: Iqbal, Muhammad
name: Pan, Zhaoe
name: Jia, Yinhua
name: He, Shoupu
name: Wang, Qinglian
name: Qin, Hongde
name: Liu, Jinhai
name: Liu, Hui
name: Yang, Jun
name: Ma, Zhiying
name: Xu, Dongyong
name: Yang, Jinlong
name: Zhang, Jinbiao
name: Gong, Wenfang
name: Geng, Xiaoli
name: Li, Zhikun
name: Cai, Zhongmin
name: Zhang, Xuelin
name: Zhang, Xin
name: Huang, Aifen
name: Yi, Xianda
name: Zhou, Guanyin
name: Li, Lin
name: Zhu, Haiyong
name: Qu, Yujie
name: Pang, Baoyin
name: Wang, Liru
name: Jamshed, Muhammad
name: Sun, Junling
name: Du, Xiongming
Publisher: name: figshare
Year: 2018
Subjects: subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Biotechnology
subject: Biological Sciences not elsewhere classified
subject: Marine Biology
subject: Cancer
subject: Science Policy
subject: Plant Biology
subject: Computational Biology

description: Estimates of the weighting coefficient (Eigen vector) associated with the principal components and different characters of Parents and F1s. (DOCX 19 kb)
Controlling Spin-flips of Molecules in an Electromagnetic Trap
Creators: name: Reens, David L.
name: Wu, Hao
name: Langen, Tim
name: Ye, Jun
Publisher: name: arXiv
Year: 2017
Subjects: subject: Atomic Physics (physics.atom-ph)
subject: Quantum Gases (cond-mat.quant-gas)
subject: Quantum Physics (quant-ph)
subject: FOS: Physical sciences

description: Doubly dipolar molecules exhibit complex internal spin-dynamics when electric and magnetic fields are both applied. Near magnetic trap minima, these spin-dynamics lead to enhancements in Majorana spin-flip transitions by many orders of magnitude relative to atoms, and are thus an important obstacle for progress in molecule trapping and cooling. We conclusively demonstrate and address this with OH molecules in a trap geometry where spin-flip losses can be tuned from over $200 \text{ s}^{-1} $ to below our $2\text{ s}^{-1}$ vacuum limited loss rate with only a simple external bias coil and with minimal impact on trap depth and gradient.
description: 10 pages, 7 figures, 1 table
Entanglement Entropy of the Two-Dimensional +-J Ising Model on the Nishimori Line
Creators: name: Sasagawa, Y.
name: Ueda, H.
name: Genzor, J.
name: Gendiar, A.
name: Nishino, T.
Publisher: name: arXiv
Year: 2017
Subjects: subject: Disordered Systems and Neural Networks (cond-mat.dis-nn)
subject: FOS: Physical sciences

description: A classical analogue of the entanglement entropy is calculated on the system boundary of the two-dimensional Edwards-Anderson model, where the nearest-neighbor interaction is stochastically chosen from +J and -J. The boundary spin distribution is obtained by means of the time-evolving block decimation (TEBD) method, where the random ensemble is created from the successive multiplications of position-dependent transfer matrices, whose width is up to N = 300. The random average of the entanglement entropy is calculated on the Nishimori line, and it is confirmed that the entanglement entropy shows critical singularity at the Nishimori point. The central charge of the boundary state is estimated.
description: 6 pages, 6 figures
title: Mathematical Modeling
title: Μαθηματική Μοντελοποίηση
title: Μια Σπουδή στις Θετικές Επιστήμες
titleType: AlternativeTitle
Creators: name: Komineas, Stavros
name: Charmandaris, Evangelos
Publisher: name: Kallipos, Open Academic Editions
Year: 2016
Subjects: ΜΑΘΗΜΑΤΙΚΗ ΒΙΟΛΟΓΙΑ
ΜΟΡΙΑΚΗ ΔΥΝΑΜΙΚΗ
ΑΝΑΛΥΤΙΚΗ ΜΗΧΑΝΙΚΗ
ΔΥΝΑΜΙΚΑ ΣΥΣΤΗΜΑΤΑ
ΜΟΝΤΕΛΟΠΟΙΗΣΗ
Modelling
Mathematical Biology
Simulations
Modecular Dynamics
Monte Carlo
Dynamical Systems

description: Η μαθηματική μοντελοποίηση είναι μια πολύ ενεργή ερευνητική περιοχή με ευρύ και διεπιστημονικό περιεχόμενο, το οποίο εμπίπτει πέρα από τα Μαθηματικά σε όλες τις θετικές επιστήμες (Φυσική, Χημεία, Βιολογία, Υλικών), στις επιστήμες του μηχανικού, των οικονομικών αλλά και στις ανθρωπιστικές επιστήμες. Για αυτό το λόγο το παρόν σύγγραμμα μπορεί να είναι ένα πολύ χρήσιμο βοήθημα για διάφορα μαθήματα σε όλους τους παραπάνω κλάδους των επιστημών.

Βασικό αντικείμενο του συγγράμματος είναι να παρουσιάσει τα κεντρικά κεφάλαια της Μαθηματικής Μοντελοποίησης αναδεικνύοντας την παραπάνω οπτική γωνία και να προετοιμάσει τον προ/μετα-πτυχιακό φοιτητή στη διεπιστημονική έρευνα, αναδεικνύοντας τις προκλήσεις που ανακύπτουν στην κάθε περιοχή. Πιο συγκεκριμένα κυριότεροι στόχοι του συγγράμματος είναι οι παρακάτω:
Η περιγραφή και κατανόηση διαδικασιών και αντίστοιχων απλών μαθηματικών μοντέλων από τις επιστήμες (Φυσική, Βιολογία, Οικονομία και αλλού).
Η κατανόηση βασικών μεθόδων αντιμετώπισης (εύρεσης λύσεων) των μοντέλων.
Η απόκτηση δεξιοτήτων για την ανάπτυξη μαθηματικών μοντέλων για προβλήματα σε θεωρητικές και εφαρμοσμένες επιστήμες.
Κάθε κεφάλαιο του συγγράμματος αντιστοιχεί σε 2 περίπου διδακτικές εβδομάδες και είναι οργανωμένο σε Μαθησιακά Αντικείμενα (ΜΑ), καθένα από τα οποία αποτελεί μια αυτόνομη μονάδα εκπαιδευτικού περιεχομένου και συνδέεται με ένα ή περισσότερα μαθησιακά αποτελέσματα. Επίσης κάθε ΜΑ θα αναπτυχθεί τηρώντας τις βασικές αρχές της προσβασιμότητας (με χρήση κατάλληλων μεταδεδομένων), δυνατότητας επαναχρησιμοποίησης (σε διαφορετικά εκπαιδευτικά πλαίσια) και διαλειτουργικότητας (ανεξάρτητο της πλατφόρμας χρήσης). Στο τέλος κάθε κεφαλαίου θα υπάρχουν ασκήσεις και προβλήματα ενώ θα ακολουθούν βιβλιογραφικές αναφορές με σχόλια και οδόγραμμα πώς να διαβαστούν.
MOESM1 of A scalable method to quantify the relationship between urban form and socio-economic indexes
Creators: name: Venerandi, Alessandro
name: Quattrone, Giovanni
name: Capra, Licia
Publisher: name: figshare
Year: 2018
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: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics

description: Additional file 1. Here we provide choropleth maps of the metrics of urban form and IMD, for the six cities under study. (pdf)
An Efficient and Green Synthesis of New 6-Iodo- Pyrano[2,3-d] Pyrimidine-4-Ones via a One-Pot Four-Component Reaction Followed by Iodocyclization in Water
Creators: name: Rezaeifard, Amin
name: Bakherad, Mohammad
name: Navidpour, Latifeh
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Molecular Biology
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified

description: Eco-friendly one-pot synthesis of new 6-iodo-4H-pyrano[2,3-d]pyrimidin-4-ones via the condensation of pyrimidine-4,6-diol, aldehydes, phenylacetylene, and iodine has been reported in water at 60 °C. To obtain the optimal reaction conditions, the effects of reaction temperature, bases and solvents were investigated. Under the optimal condition, formaldehyde and different aromatic aldehydes bearing both electron-donating and withdrawing groups underwent the reaction to give the corresponding 6-iodo-5,7-disubstituted-3H-pyrano[2,3-d] pyrimidin-4(5H)-one derivatives in high to excellent (90–97%) yields. This transformation generates 6-iodo-4H-pyrano[2,3-d]pyrimidin-4-one derivatives using a domino reaction involving Knoevenagel condensation and iodocyclization in the absence of metal or acidic/basic catalysts. The prepared products were characterized using FT-IR, 1HNMR, 13CNMR, and Mass spectroscopies.
A review of marine oil sampling methods
Creators: name: Kneeland, J. M.
name: Tcaciuc, A. P.
name: Tuit, C. B.
name: Wait, A. Dallas
Publisher: name: Taylor & Francis
Year: 2021
Subjects: subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: Science Policy

description: After an oil spill, collecting reliable and legally defensible oil samples is critical for determining oil sources and assessing environmental impacts. This review of guidance documents and the scientific literature identifies accepted practices for collecting oil samples in the marine environment for chemical analysis. Recommended sampling techniques differ depending on the form of the oil being sampled (e.g., oil sheens/slicks versus tar balls). Preventing sample contamination and collecting representative oil samples are crucial. Collecting suspected source and background samples is recommended for source identification. Guidance on quality control samples varies, but at minimum, blanks are required to meet study data quality objectives.
Experimental and DFT Quantum Chemical Studies on Structural, Vibrational and Molecular Properties of Some Substituted 4-Phenylphenols
Creators: name: Ravindranath, L.
name: Srishailam, K.
name: Reddy, B. Venkatram
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Inorganic Chemistry
subject: FOS: Chemical sciences

description: Fourier Transform infrared spectra (4000–400 cm−1) and Fourier Transform Raman spectra (4000–50 cm−1) were recorded for 2-chloro-4-phenylphenol (CP); 2-nitro-4-phenylphenol (NP); and 2-amino-4-phenylphenol (AP). 1H and 13C NMR spectra, along with UV-Vis spectra of the three samples were also measured. Quantum chemical calculations, at the level of DFT/B3LYP/6-311++G(d,p) theory were implemented to study their ground state geometry, vibrational wave numbers, infrared and Raman intensities, 1H and 13C NMR spectra, frontier molecular orbital parameters, NLO behavior, NBO properties, thermodynamic quantities, rotational constants and MESP behavior. TD-DFT variant was employed to simulate electronic transitions of these molecules. Observed and calculated vibrational frequencies agreed with an rms error 7.44, 8.98 and 6.97 cm−1, the corresponding RMSD values being 7.09, 9.39 and 6.59 cm−1 for CP, NP and AP, respectively. Experimental chemical shifts concurred, with their theoretical counterparts, with RMSD value, 0.19, 0.29 and 0.56 ppm for 1H NMR; and 6.34, 6.28 and 5.39 ppm for 13C NMR, respectively, in CP, NP and AP. This kind of agreement was also true for absorption maxima (λmax) of their electronic transitions in solution form. Frontier molecular orbitals were found useful to understand origin of electronic transition maxima and chemical reactivity of the three molecules which was supported by NBO analyses. The computations showed that the three molecules were potentially good for developing NLO materials. MESP investigations showed that the most reactive sites are at oxygen atoms in the three molecules. Moreover, we also made an attempt to understand the effect of deactivating (Cl, NO2) and activating (NH2) groups on certain properties of the three molecules. Presence of intra-molecular hydrogen bond was predicted in CP, NP and AP. Structure parameters for CP, NP and AP agree well with their experimental counterparts. Computed and measured frequencies, chemical shifts and electronic transitions agree acceptably. Effect of activating and deactivating groups is studied. CP, NP and AP are potential NLO materials. Intra-molecular charge transfer (ICT) is demonstrated using NBO analysis.
title: ADCO, Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Cart. 32 (G 136), 745 folios, f. 0920
Creators: name: de la Côte d'Or, Archives départementales
name: Archives Départementales De La Côte-D'Or
name: Petot, Frédérique
name: Projet CBMA
name: 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: LaMOP
subject: Laboratoire de Médiévistique Occidentale de Paris
subject: Chartes de la Bourgogne du Moyen Âge
subject: cartulaire
subject: Corpus Burgundiae Medii Aevi

description: Neuvième cartulaire de Saint-Étienne de Dijon (1661 - 1684), Archives départementales de la Côte-d'Or, Cart. 32 (G 136), 745 folios, f. 0920, 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. 0920, 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
Additional file 1: of Operative Treatment of Intra-Articular Distal Radius Fractures With versus Without Arthroscopy: study protocol for a randomised controlled trial
Creators: name: Mulders, Marjolein
name: Selles, Caroline
name: Colaris, Joost
name: Peters, Rolf
name: Heijl, Mark Van
name: Cleffken, Berry
name: Schep, Niels
Publisher: name: figshare
Year: 2018
Subjects: subject: Ecology
subject: FOS: Biological sciences
subject: 111714 Mental Health
subject: FOS: Health sciences

description: Participating centres. (DOC 23Â kb)