cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Verification of Neural Network Control Systems in Continuous Time
Creators: name: ArjomandBigdeli, Ali
name: Mata, Andrew
name: Bak, Stanley
Publisher: name: arXiv
Year: 2024
Subjects: subject: Systems and Control (eess.SY)
subject: Artificial Intelligence (cs.AI)
subject: FOS: Electrical engineering, electronic engineering, information engineering
subject: FOS: Computer and information sciences

description: Neural network controllers are currently being proposed for use in many safety-critical tasks. Most analysis methods for neural network control systems assume a fixed control period. In control theory, higher frequency usually improves performance. However, for current analysis methods, increasing the frequency complicates verification. In the limit, when actuation is performed continuously, no existing neural network control systems verification methods are able to analyze the system. In this work, we develop the first verification method for continuously-actuated neural network control systems. We accomplish this by adding a level of abstraction to model the neural network controller. The abstraction is a piecewise linear model with added noise to account for local linearization error. The soundness of the abstraction can be checked using open-loop neural network verification tools, although we demonstrate bottlenecks in existing tools when handling the required specifications. We demonstrate the approach's efficacy by applying it to a vision-based autonomous airplane taxiing system and compare with a fixed frequency analysis baseline.
description: 17 pages, 7 figures, Proceedings of the 7th International Symposium on AI Verification (SAIV)
The mathematical description of isoproturon electrooxidation and polymerization of its product, assisted by cobalt (III) oxyhydroxide
Creators: name: Volodymyr V. Tkach Et Al, Volodymyr
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Isoproturon Electrochemical sensors Conducting polymers Cobalt (III)oxyhydroxide Stable steady-state

description: The possibility of CoO(OH)-assisted isoproturon electrochemical determination by the CoO(OH)-assisted polymerization of its hydrolysis product, assisted by cobalt (III) oxyhydroxide, has been evaluated. It was shown that the oscillatory behavior in this case is less probable than in the classical electropolymerization cases, due to the lower quantity of electrochemical stages in the process. The stable steady-state is easy to obtain and maintain, which makes the system electroanalytically and electrosynthetically efficient.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
sj-pdf-2-cep-10.1177_03331024221139253 - Supplemental material for Shared genetics and causal relationships between migraine and thyroid function traits
Creators: name: Tasnim, Sana
name: Wilson, Scott G
name: Walsh, John P
name: Nyholt, Dale R
Publisher: name: SAGE Journals
Year: 2023
Subjects: subject: 110306 Endocrinology
subject: FOS: Clinical medicine
subject: 110904 Neurology and Neuromuscular Diseases
subject: 111599 Pharmacology and Pharmaceutical Sciences not elsewhere classified
subject: 170199 Psychology not elsewhere classified
subject: FOS: Psychology
subject: 110319 Psychiatry (incl. Psychotherapy)
subject: Neuroscience

description: Supplemental material, sj-pdf-2-cep-10.1177_03331024221139253 for Shared genetics and causal relationships between migraine and thyroid function traits by Sana Tasnim, Scott G Wilson, John P Walsh, Dale R Nyholt and The International Headache Genetics Consortium (IHGC): for the ICON study group in Cephalalgia
Physical Characterization Of Household Waste At Source In Kenitra City (Morocco)
Creators: name: Nebbach Et Al, Diae
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Household waste characterization at source recycling Kenitra Morocco

description: The production of solid wastes in the city of Kenitra has experienced in recent decades a significant increase that has now exceeded 330 tons per day or even 120 450 T / year. This is mainly due to the population growth and changing production and consumption patterns, as well as the improving of the living standards of the population. All wastes generated by the population are routed to the municipal landfill (Oulad Berjal) of the city of Kenitra without any treatment or recovery of recyclable materials. In order to define the composition of household wastes at source ie directly from households without these wastes undergo changes throughout the collection system until arriving at the landfill, and the objective of define future strategies for the management and treatment and enjoy the possibilities of recycling such as composting, recycling of recyclable materials and therefore reduce the amount of household waste destined for landfill. We performed the physical characterization of nine samples of household waste with a total weight of 1886,77 Kg collected at household level from different socioeconomic levels spatially distributed in the territory of the city of Kenitra. The results of this work showed that the household waste of the population of the city of Kenitra are composed primarily of organic wastes, which represent an average of 83,51%; plastic (PET, HDPE, PVC, PP, plastic bags, and others) represents 4,49%; the average value of paper/cardboard is 2,91%, in comparison to metal, glass, textiles, and composites represent respectively 0,81%, 0,99%, 1,63% and 1,32%. Our study also showed the presence of a significant percentage of medical textiles (3,81%) consisting mainly of baby diapers; other components namely (polystyrene, porcelain, lamps ...) account for only 0,52%. The results of this work show that the recoverable / recyclable fraction represents 91,21% of the total garbage generated by the families of the city of Kenitra hence the need for the implementation of a recovery / recycling sector of these wastes.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
title: Уравнения с неотрицательной характеристической формой. Лекционный курс. В 2 частях. Ч. 1
Creators: name: ELS IPR BOOKS
Publisher: name: Ай Пи Ар Медиа
Year: 2025

description: Учебное пособие посвящено общей теории уравнений второго порядка с неотрицательной характеристической формой. В первой части книги рассмотрена первая краевая задача, а также приведены сведения о локальной гладкости слабых решений и гипоэллиптичности дифференциальных уравнений второго порядка. Подготовлено с учетом требований Федерального государственного образовательного стандарта высшего образования. Учебное пособие предназначено для математиков, физиков, инженеров, а также научных сотрудников, преподавателей вузов, аспирантов и студентов, специализирующихся по математическому анализу, теории функций и уравнениям математической физики.
"Theatre", "Paratheatre", "Metatheatre": What are we talking about?
Creators: name: Milanezi, Silvia
name: Paillard, Elodie
Publisher: name: De Gruyter
Year: 2021
Subjects: subject: Theater
subject: History

description: Introductory chapter to the collective volume 'Theatre and Metatheare: Definitions, Problems, Limits'
Supplemental Material - Social exercise interventions for children who have complex developmental needs: A systematic review
Creators: name: Freire, Kate
name: Pope, Rod
name: Size, Isabella
name: Andrews, Kristen
name: Fitz-Gerald, Emma
name: Bowman, Tricia
Publisher: name: SAGE Journals
Year: 2023
Subjects: classificationCode: 111708
subject: Health and Community Services
classificationCode: 111099
subject: Nursing not elsewhere classified
classificationCode: 111403
subject: Paediatrics

description: Supplemental Material for Social exercise interventions for children who have complex developmental needs: A systematic review by Kate Freire, Rod Pope, Isabella Size, Kristen Andrews, Emma Fitz-Gerald and Tricia Bowman in Journal of Child Health Care
Fluorescence enhancement of single V2 centers in a 4H-SiC cavity antenna
Creators: name: Körber, Jonathan
name: Heiler, Jonah
name: Fuchs, Philipp
name: Flad, Philipp
name: Hesselmeier, Erik
name: Kuna, Pierre
name: Ul-Hassan, Jawad
name: Knolle, Wolfgang
name: Becher, Christoph
name: Kaiser, Florian
name: Wrachtrup, Jörg
Publisher: name: arXiv
Year: 2024
Subjects: subject: Quantum Physics (quant-ph)
subject: Optics (physics.optics)
subject: FOS: Physical sciences

description: Solid state quantum emitters are a prime candidate in distributed quantum technologies since they inherently provide a spin-photon interface. An ongoing challenge in the field, however, is the low photon extraction due to the high refractive index of typical host materials. This challenge can be overcome using photonic structures. Here, we report the integration of V2 centers in a cavity-based optical antenna. The structure consists of a silver-coated, 135 nm thin 4H-SiC membrane functioning as a planar cavity with a broadband resonance yielding a theoretical photon collection enhancement factor of 34. The planar geometry allows us to identify over 20 single V2 centers at room temperature with a mean (maximum) count rate enhancement factor of 9 (15). Moreover, we observe 10 V2 centers with a mean absorption linewidth below 80MHz at cryogenic temperatures. These results demonstrate a photon collection enhancement that is robust to the lateral emitter position.
The Thermodynamic Aspect, the Temperature and the Solvent effects on the Chemical Reactivity of the Darzens Reaction between Isobutyraldehyde and Isopropyl Dibromoacetate: DFT Study.
Creators: name: El Idrissi Et Al, M.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Darzens reaction, Gibbs free energy, temperature effec solvent effect, electrophilicity, nucleophilicity Parr functions

description: The Darzens condensation is used to synthesize α-halogenoglycidic esters which are important compounds permits access to the bioactive molecules. Our aim in this work is to study the temperature effect in the chemical reactivity and in the thermodynamic aspect for the Darzens reaction between isobutyraldehyde and isopropyl dibromoacetate using density functional theory (DFT) on the B3LYP/6-311G (d, p) level. Therefore, we were interested in this study to comparing the ethanol solvent effect with 2-propanol solvent effect. Firstly, we optimized the reagents and products geometries. Secondly, we calculated the HOMO and LUMO energies; the electronic chemical potential; the global electrophilicity and the global nucleophilicity of the reagents; and Gibbs free energy. The local electrophilicity of isobutyraldehyde and local nucleophilicity of isopropyl dibromoacetate are calculated by the Parr functions
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
sj-docx-1-ppm-10.1177_00910260231187535 – Supplemental material for Private Life Events as Antecedents for Public Employees’ Engagement and Burnout
Creators: name: Weißmüller, Kristina S.
name: Ritz, Adrian
name: Steijn, A. J. (Bram)
name: Alfes, Kerstin
Publisher: name: SAGE Journals
Year: 2023
Subjects: classificationCode: 160509
subject: Public Administration

description: Supplemental material, sj-docx-1-ppm-10.1177_00910260231187535 for Private Life Events as Antecedents for Public Employees’ Engagement and Burnout by Kristina S. Weißmüller, Adrian Ritz, A. J. (Bram) Steijn and Kerstin Alfes in Public Personnel Management
2D-QSAR method of lupane-type saponins the treatement of cancer cell line
Creators: name: Stitou Et Al, M.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: ADME properties pharmacokinetic drug discovery QSAR ANN

description: The optimization of the ADME properties (Absorption, Distribution, Metabolism and Elimination) is the most important goal to achieve, especially in the early into drug discovery stages. We had chosen the QSAR method to relate these ADME properties to the cytotoxicity of lupane-type saponins, in an attempt to illustrate these organic compounds react with living systems. The PLS and ANN methods were used to link the activity to the ADME properties. The descriptors were computed by Molecular Operating Environnement software. In the current work, three descriptors were selected by PLS analysis with R2 = 0.75, the minimum error RMSE = 0.24, a cross-validation coefficient (Q2 = 0.66) and the external predictive power (R2pred = 0.70), the elaborate model is statistically significant at the threshold α = 1%. The result of ANN model with the Levenberg-Marquart algorithms showed us a better performance with the architecture [3-2-1]: R2=0.74, Q2=0.62, R2pred=0.84, RMSE= 0.28. The applicability domain defined by William's plot has been successfully defined to ensure that a given prediction can be considered reliable. At the end of this study, we can conclude that the optimization of the prediction of the bioavailability of saponins in the body is related to the optimization of selected ADME properties in the elaborated of 2D-QSAR model.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
Effect of π-spacers on the optoelectronic properties of triphenylamine-based organic dyes: theoretical study
Creators: name: Lazrak Et Al, M.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Triphenylamine π-Spacer Organic dye Dye-sensitized solar cell DFT

description: The structural and opto-electronic properties of thethreetriphenylamine-based sensitizers (dye 1, dye 2 and dye 3) have been examined by density functional theory(DFT) and time-dependent DFT calculationsto shed light on how the π-spacer could influence the performance of the dye. These lead us to determine master factors that mayinfluence the efficiencyof DSSCs, such as the light-harvesting efficiency (LHE),total reorganization energy (λtotal) and electron injection driving force (ΔGinject). The TPA-based sensitizer containing thiophene as π-spacer exhibits the better LHE whereas a larger ΔGinjectand a weakerλtotalare observed for the dye 2 wich contains furan as π-bridge. This significantlly support that furan and thiophene as π-spacers are a fairly good choice for the design of dye sensitizers for application in solar cells.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
64608: Sunrise
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: Drafted in France in early May 1917, revised January-February 1918. This is a later revision of the poem, and no. 140 in ed. 'The Complete Poems and Fragments'.
Additional file 2 of Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis
Creators: name: Hosseini-Gerami, Layla
name: Higgins, Ixavier Alonzo
name: Collier, David A.
name: Laing, Emma
name: Evans, David
name: Broughton, Howard
name: Bender, Andreas
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified

description: Additional file 2: Supplementary methods.
Lone pair’s contribution to bonding in the hydrogen transfer of Adenine tautomerization (3H→9H) in the ground state: ELF analysis
Creators: name: Benallou Et Al, A.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Adenine H-transfer Ground state ELF Lone pairs DFT

description: An ELF analysis of hydrogen transfer of adenine tautomerization (3H→9H) is carried out, this study has been performed at B3LYP and 6-311++G(d,p) basis set. Our investigation leads us to conclude that the lone pair electrons of a nucleophilic nitrogen atom are not a non bonding electrons, we find that lone pairs can extremely contribute to the covalent and hydrogen bonds with an electrophile (H atom), the contribution to bonding by lone pairs is depending generally on the evolution of chemical structure along IRC. Therefore, the lone pair’s electron is considerably helped in hydrogen transfer of adenine tautomerization in ground state by the donation of some electron density. Subsequently, lone pairs and non bonding electrons are not strictly equivalent to each other.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
64638: Music
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: Begun in October 1916 and revised in August to November 1917 at Craiglockhart. This is no. 95 in ed. 'The Complete Poems and Fragments'.
Additional file 2 of Social contact patterns among employees in U.S. long-term care facilities during the COVID-19 pandemic, December 2020 to June 2021
Creators: name: Zissette, Seth
name: Kiti, Moses C.
name: Bennett, Brady W.
name: Liu, Carol Y.
name: Nelson, Kristin N.
name: Zelaya, Alana
name: Kellogg, Joseph T.
name: Johnson II, Theodore M.
name: Clayton, Pam
name: Fridkin, Scott K.
name: Omer, Saad B.
name: Lopman, Benjamin A.
name: Adams, Carly
Publisher: name: figshare
Year: 2024
Subjects: Medicine
Neuroscience
Biotechnology
Biological Sciences not elsewhere classified
Information Systems not elsewhere classified
Cancer

description: Supplementary Material 2
64639: Music
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: Begun in October 1916 and revised in August to November 1917 at Craiglockhart. This is no. 95 in ed. 'The Complete Poems and Fragments'.
Study optoelectronic of conjugated compounds based on 4H-cyclopenta[2,1-b;3,4-b]dithiophene-4-one as solar cell materials.
Creators: name: Sadiki Et Al, Yassine
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: -conjugated molecules, thiophene, organic solar cells, DFT, low band-gap, electronic propertie

description: In this study, theoretical work investigates by using density functional theory (DFT) method with B3LYP level and 6-31G(d,p) basis set of novel acceptor-donor organic materials based , thiophene, 4H-cyclopenta[2,1-b;3,4-b]dithiophene-4-one (CDP), thiophene and their substituents (Th-CDP-Th)-Ri with i=1-6, and linked to cyanoacrylic acid as acceptor group are examined. Different electron side groups (Ri) has introduced to investigate their effects on the structural and electronic structure. The electronic absorption and emission spectra of these compounds has studied by Time-Dependent Density Functional Theory (TD/DFT) calculations. Thus, our aim is to explore their electronic properties on the basis of the DFT quantum chemical calculations. Second, to elucidate the parameters that influences the photovoltaic efficiency to better understanding of the structure–property relationships. We think that the presented study of structural, electronic and optical properties for these compounds could help to design more efficient functional photovoltaic organic materials.
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
The theoretical description of cathodic pyrrole electrodeposition, assisted by a dichromate of a novel triazolic derivative
Creators: name: V. Tkach Et Al, Volodymyr
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Polypyrrole Triazole Cathodic electrodeposition Chromium (IV)oxide Stable steady-state

description: The theoretical description of polypyrrole cathodic electrodeposition in lightly acidic media, assisted by a triazolic salt, was made for the first time. The electrochemical deposition of conducting polymer on cathode is realized by in situ formation of chromium (IV) dioxide CrO2 as oxidizing agent, and the proper polymer may be doped by chromium(III)-ions or by chromium (III) oxyhydroxide CrO(OH). The stable steady-state in this system has to be established rapidly and efficiently, and the polymer surface has to be well developed. Due to the constant changes in double electric layer structure, like also the enhanced polymer adhesion, the electrochemical instabilities (oscillatory and monotonic) are very probable
description: RHAZES: Green and Applied Chemistry, Vol 2, No 2 (2018): Volume 2 (May - August)
sj-docx-5-cos-10.1177_00207152231187047 – Supplemental material for Financialization and top incomes in emerging economies: A comparative distributional analysis of the financial wage premium in the BRIC
Creators: name: Roberts, Anthony J
name: Casey, Emma
name: Hodges, Baylee
Publisher: name: SAGE Journals
Year: 2023
Subjects: subject: Sociology
subject: FOS: Sociology

description: Supplemental material, sj-docx-5-cos-10.1177_00207152231187047 for Financialization and top incomes in emerging economies: A comparative distributional analysis of the financial wage premium in the BRIC by Anthony J Roberts, Emma Casey and Baylee Hodges in International Journal of Comparative Sociology
Draft: Crowdsourcing in cultural heritage: a practical guide to designing and running successful projects
Creators: name: Ridge, Mia
Publisher: name: unknown
Year: 2021
Subjects: subject: Crowdsourcing

description: Have you ever wanted to recruit hundreds of members of the public to assist with the task of making cultural heritage collections findable online? Or to connect with passionate volunteers who'll share their discoveries with you?

Crowdsourcing in cultural heritage is a broad term for projects that ask the public to help with tasks that contribute to a shared, significant goal or research interest related to cultural heritage collections or knowledge. As participants receive no financial reward, the activities and/or goals should be inherently rewarding for those volunteering their time. This definition is partly descriptive and partly proscriptive, and this chapter is largely concerned with explaining/describing how to meet the standards it implies.

[A draft (not quite pre-print) version of my chapter for the Routledge International Handbook of Research Methods in Digital Humanities, edited by Kristen Schuster, Stuart Dunn, 2021. ISBN 9781138363021 ]
64794: Owen's Imperial Service Obligation
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: Imperial Service Obligation signed by Owen at Hare Hall Camp, Romford.
3D QSAR and molecular docking study of benzomaide derivatives as potent inhibitors of Btk kinase
Creators: name: Aouidate Et Al, A.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: CoMFA Molecular docking Btk Drug design Benzamide

description: Bruton’s tyrosine kinase (Btk) is an important enzyme in B-lymphocyte development and differentiation. Furthermore, Btk expression is considered essential for the proliferation and survival of these cells. Btk inhibition has become an attractive strategy for treating autoimmune diseases, B-cell leukemia and lymphomas, With the objective of undeerstand the Btk inhibitory activity of benzamide derivatives. A series of fourty-four Btk inhibitors reported in the literature containing benzamide scaffold was studied by using two computational techniques, namely, three-dimensional quantitative structure activity relationship (3D-QSAR) and molecular docking. The comparative molecular field analysis (CoMFA) was developed using thirty-three molecules having pIC50 ranging from 2.000 to 5.236. The best generated CoMFA model exhibit conventional determination coefficients R2 of 0.92 as well as the Leave One Out cross-validation determination coefficients Q2 of 0.61, respectively. Moreover, the predictive ability of this model was evaluated by the external validation using a test set of eleven compounds with predicted determination coefficients R2test of 0.76. Besides, y-randomization test was also performed to validate our 3D-QSAR models. The most active compound was docked into the active site of the protein (PDB ID: 5P9J) to confirm those obtained results from 3D-QSAR model and elucidate the binding mode between this kind of compounds and the Btk enzyme. These satisfactory results are not offered help only to understand the binding mode of benzamide series compounds into this kind of targets, but provide information to design new potent Btk inhibitors.
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
sj-pdf-1-wes-10.1177_09500170231175771 – Supplemental material for ‘Bullshit’ After All? Why People Consider Their Jobs Socially Useless
Creators: name: Walo, Simon
Publisher: name: SAGE Journals
Year: 2023
Subjects: classificationCode: 150310
subject: Organisation and Management Theory
subject: Sociology
subject: FOS: Sociology

description: Supplemental material, sj-pdf-1-wes-10.1177_09500170231175771 for ‘Bullshit’ After All? Why People Consider Their Jobs Socially Useless by Simon Walo in Work, Employment and Society
Top-philic Machine Learning
Creators: name: Barman, Rahool Kumar
name: Biswas, Sumit
Publisher: name: arXiv
Year: 2024
Subjects: subject: High Energy Physics - Phenomenology (hep-ph)
subject: High Energy Physics - Experiment (hep-ex)
subject: FOS: Physical sciences

description: In this article, we review the application of modern machine-learning (ML) techniques to boost the search for processes involving the top quarks at the LHC. We revisit the formalism of Convolutional Neural Networks (CNNs), Graph Neural Networks (GNNs), and Attention Mechanisms. Based on recent studies, we explore their applications in designing improved top taggers, top reconstruction, and event classification tasks. We also examine the ML-based likelihood-free inference approach and generative unfolding models, focusing on their applications to scenarios involving top quarks.
description: A short review prepared by invitation for EPJ Special Topics issue. Version accepted for publication; 45 pages, 17 figures, 1 table; v2: typos corrected
In –silico Study of 3-(2-amino-6-phenylpyrimidin-4-yl)-N-cyclopropyl-1-methyl-1H-indole-2-carboxamide derivatives as antifungal agents: CoMFA, CoMSIA analyses and ADMET Properties
Creators: name: Zaki Et Al, H.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: -3-(2-amino-6-phenylpyrimidin-4-yl)-N-cyclopropyl-1-methyl-1H-indole-2-carboxamide -Antifungal activity -Candida albicans -Three-dimensionalQuantitative structure activity relationship -Comparative Molecular Field Analysis -Comparative Molecular Similari

description: Heterocyclic molecules manelly indoles derivatives have displayed a large diversity of biological activity profiles and many studies have focused mainly their therapeutic effect. It is noticed that the biological activity solidly depends on the kind and the location of the substituents in their molecules. The Multidimensional quantitative structure-activity/property relationship (Multidimensional-QSAR/QSPR) method is used on this study, to study a series of 22 indole-pyrimidine. We have developed three-dimensional quantitative structure antifungal activity relationships for this series, using Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA) methods. The results show a significant statistical quality and a satisfying predictive ability, with high correlation coefficient value (R2 = 0.922 and R2=0.876 for CoMFA and CoMSIA respectively). To validate the predictive power of the resulting models, external validation multiple correlation coefficient was calculated and we have noted a favorable estimation of stability for the two methods (Q2 = 0.502 and Q2=0.530 for CoMFA and CoMSIA methods, respectively). Basing on 3D-QSAR results new molecules were designed and the ADMET proprieties were predicted to select the potential hits.
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
QSAR and docking studies on the pyrimidine derivatives analogs with antileishmanial activity
Creators: name: Ousaa Et Al, A.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Leishmaniasis Pyrimidine derivatives QSAR model MLR MNLR Molecular modeling

description: Leishmaniasis is a disease caused by a number of species of protozoan parasites belonging to the genus Leishmania, is recognized as an important public health problem throughout the world. In a search of newer and potent antileishmanial drug, a series of 30 pyrimidine derivatives analogs were subjected to a quantitative structure activity relationship (QSAR) analysis, for studying, interpreting, and predicting activities and designing new compounds by using several statistical tools, such as principal components analysis (PCA), multiple linear regression (MLR) and non-linear regression (RNLM). The statistical results of the MLR and MNLR indicate that the determination coefficients R2 were 0.824 and 0.870, respectively. Internal and external validations were used to determine the statistical quality and predictive power of QSAR of the two MLR and MNLR models. The applicability domains of MLR and MNLR models were investigated using William’s plot to detect outliers and outsides compounds. Also the most active compounds were docked into the active site of the protein (PDB entry code: 2JK6) to confrm those obtained results from QSAR models and identify the binding interactions responsible for antileishmanial activity of those analogs
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
sj-docx-1-jom-10.1177_01492063231186342 - Supplemental material for Delving Into Feminine Stereotypes: Female CEOs and the Corporate Social (Ir)Responsibility–Firm Performance Relationship
Creators: name: Mui, Rachel
name: Hill, Aaron D.
Publisher: name: SAGE Journals
Year: 2023
Subjects: classificationCode: 150310
subject: Organisation and Management Theory

description: Supplemental material, sj-docx-1-jom-10.1177_01492063231186342 for Delving Into Feminine Stereotypes: Female CEOs and the Corporate Social (Ir)Responsibility–Firm Performance Relationship by Rachel Mui and Aaron D. Hill in Journal of Management
Additional file 1 of Benchmarking causal reasoning algorithms for gene expression-based compound mechanism of action analysis
Creators: name: Hosseini-Gerami, Layla
name: Higgins, Ixavier Alonzo
name: Collier, David A.
name: Laing, Emma
name: Evans, David
name: Broughton, Howard
name: Bender, Andreas
Publisher: name: figshare
Year: 2024
Subjects: subject: Genetics
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified

description: Additional file 1: Supplementary figures and tables
64615: Music
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: Begun in October 1916 and revised in August to November 1917 at Craiglockhart. This is no. 95 in ed. 'The Complete Poems and Fragments'.
Evaluation of scale-dependent kurtosis with HelioSwarm
Creators: name: Pecora, Francesco
name: Pucci, Francesco
name: Malara, Francesco
name: Klein, Kristopher G.
name: Marcucci, Maria Federica
name: Retinò, Alessandro
name: Matthaeus, William
Publisher: name: arXiv
Year: 2024
Subjects: subject: Space Physics (physics.space-ph)
subject: Solar and Stellar Astrophysics (astro-ph.SR)
subject: Plasma Physics (physics.plasm-ph)
subject: FOS: Physical sciences

description: Plasma turbulence involves complex, nonlinear interactions of electromagnetic fields and charged particles across multiple scales. Studying these phenomena in space plasmas, like the solar wind, is facilitated by the intrinsic scale separations and the availability of in situ spacecraft observations. However, the single-point or single-scale configurations of current spacecraft limit our understanding of many properties of the turbulent solar wind. To overcome these limitations, multipoint measurements spanning a range of characteristic scales are essential. This paper prepares for the enhanced measurement capabilities of upcoming multispacecraft missions by demonstrating that higher-order statistics, specifically kurtosis, as a baseline for intermittency can be accurately measured. Using synthetic turbulent fields with adjustable intermittency levels, we achieve scale separations analogous to those in the solar wind and apply these techniques to the planned trajectories of the HelioSwarm mission. This approach promises significant advancements in our understanding of plasma turbulence.
Inhibitory Activity Of 4-Anilinoquinazoline And Derivatives Against Egfr Kinase Using DFT-QSAR Analysis
Creators: name: Idrissi Taourati Et Al, A.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: QSAR DFT 4-Anilinoquinazoline MLR MNLR

description: The goal of this research is to promote the growth of predictive QSAR models of 4-anilinoquinazoline and derivatives against EGFR kinase using several statistical techniques especially principal components analysis (PCA), multiple linear regression (MLR) and nonlinear regression (RNLM) calculations. We choose the validation method to examine the execution and the equilibrium of this model. We accordingly propose a quantitative model (non-linear and linear QSAR models), and we interpret the activity of the compounds relying on the multivariate statistical analysis. The topological descriptors were computed, respectively, with ACD/ChemSketch and MarvinSketch programs. The electronic descriptors were computed with Gaussian 09. This study demonstrates that multiple regression and multiple non-linear regression analyses predict well the studied activity. Statistically speaking, a very important outcome was given by this model and a good stability to data variation in leave-one-out cross-validation was shown.
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
Essay Drafting Process
Creators: name: (Yaggi) Rodak, Miranda
Publisher: name: unknown
Year: 2021
Subjects: subject: Interdisciplinary approach in education
subject: Writing
subject: Composition (Language arts)
subject: Literature
subject: Academic writing

description: For many undergraduates, the drafting process is a mystery. While they understand they should take an essay through multiple rounds of drafting, they often feel unsure about what--specifically--they should be doing in each round of drafting. Too often, they try to write the whole essay in "one go" and then only return in subsequent rounds of drafting to tweak around the edges. This infographic--created for non-English-majors taking an intensive-writing, intro to fiction course--offers students a discrete series of steps that guide them in building and refining an essay across stages of drafting.
New Molecules Based On Thiophene and Oxathiazole for Organic Solar Cells Application.
Creators: name: Abram Et Al, T.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: Thiophene Oxadiazole organic solar cells DFT

description: In this work, computational study on the geometries and electronic properties of structures composed of a thiophene unit, an 1, 3, 4-oxadiazole unit and four different arylamine .The geometries, electronic properties, absorption and emission spectra of these studied compounds are studied by using density functional theory (DFT) and time-dependent density functional theory (TD/DFT) with the aim to evidence the relationship between molecular structure and optoelectronic properties. The theoretical knowledge of the HOMO and LUMO energy levels of the components is basic in studying organic solar cells so the HOMO, LUMO, Gap energy and Voc (open circuit voltage) of the studied compounds have been calculated and reported. These properties suggest these materials as a good candidate for organic solar cells.
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
Additional file 1 of Therapists’ experiences with implementing new documentation practices for low back pain in electronic health care records: an interview study
Creators: name: Toftdahl, Anne Katrine Skjølstrup
name: Ibsen, Stine
name: Pape-Haugaard, Louise Bilenberg
name: Riis, Allan
Publisher: name: figshare
Year: 2024
Subjects: subject: Medicine
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Cancer
subject: Science Policy
subject: Mental Health

description: Supplementary Material 1
Alternative views on fuzzy numbers and their application to fuzzy differential equations
Creators: name: Borzabadi, Akbar H.
name: Heidari, Mohammad
name: Torres, Delfim F. M.
Publisher: name: arXiv
Year: 2024
Subjects: subject: General Mathematics (math.GM)
subject: FOS: Mathematics
subject: 03E72, 34A07

description: We consider fuzzy valued functions from two parametric representations of $α$-level sets. New concepts are introduced and compared with available notions. Following the two proposed approaches, we study fuzzy differential equations. Their relation with Zadeh's extension principle and the generalized Hukuhara derivative is discussed. Moreover, we prove existence and uniqueness theorems for fuzzy differential equations. Illustrative examples are given.
description: This is a preprint of a paper whose final and definite form is with 'J. Math. Model.', Print ISSN: 2345-394X, Online ISSN: 2382-9869 [https://jmm.guilan.ac.ir/]. Article accepted for publication 28-June-2024
3D-QSAR Study of Biodegradability in Water for Aromatic Compounds
Creators: name: Belhassan Et Al, A.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: -Aromatic Water Pollutants -Biodegradability -Three-dimensional Quantitative structure activity relationship -Comparative Molecular Field Analysis -Comparative Molecular Similarity Indices Analysis

description: Prediction of the biodegradability of organic pollutants is an ecologically advantageous for estimating the environmental fate of chemicals. This study was aimed at developing models for predicting the biodegradability of aromatic water pollutants. For that purpose, 34 single-benzene ring compounds, with different biodegradability values were studied. The models correlating biodegradability and molecular structure characteristics of studied pollutants were derived using three-dimensional quantitative structure-activity relationship (3D-QSAR). The 3D-QSAR models were constructed using Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) methods. The statistical results indicate that the predicted values are in good agreement with the experimental results for CoMFA model (r2 = 0.940; Q2 = 0.502). To validate the predictive power of the CoMFA model, external validation, multiple correlation coefficient was calculated and has both, in addition to a performance prediction power, a favorable estimation of stability (r2test = 0.847).
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
Synthesis, FTIR, XRD, SEM and Thermogravimetric Analysis of new copolymer based on PVK and pyrrole. Organic electronic applications
Creators: name: Kacimi Et Al, R.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: PVK Pyrrole TGA XRD SEM Electronic

description: The work carried out in this paper focused on the synthesis and cratering of a new organic material based on two polymers widely studied for their electronic properties: poly (vinyl-carbazole) (PVK) and pyrrole. The choice of these polymers was motivated by the remarkable properties of homopolymers and their complementarity in terms of spectral range. The new copolymer (PVK-Pyrrole) was prepared by chemical oxidative. Structural analyses were performed using infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermal analysis (TGA) and scanning electron microscopy (SEM). We discuss synthesis and characterization (PVK-Pyrrole) with a focus on organic applications in organic electronic devices
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
Quantum Study of the Reaction Between 2,5-Bis (Pyridin-2-yl) -1,3,4-Thiadiazole and Nickel(II) in the presence of Sodium Azide by Using DFT-B3LYP/6-31G
Creators: name: El Idrissi Et Al, M.
Publisher: name: RHAZES: Green and Applied Chemistry
Year: 2019
Subjects: electronic atomic population; electrophilicity index; Fukui index; nucleophilicity index.

description: In the present work we used density functional theory (DFT) with B3LYP/6-31G to study the reaction between 2,5-bis (pyridin-2-yl) -1, 3,4-thiadiazole and sodium azide with nickel(II) triflateby determining theMulliken charges and the energies of the frontier molecular orbitals, chemical potentials, transfer charge quantities, and electrophilicity and nucleophilicity indices. We used the same method to calculate ionisation potentials, electronic affinities, hardness and softness of the various possible organo-metallic complexesobtained in the course of the reaction. We optimised the geometric parameters of the most stable conformers and compared them with those obtained experimentally
description: RHAZES: Green and Applied Chemistry, Vol 1, No 1 (2018): Volume 1 (January-April)
title: Multi-Layered Dyson Spheres: A New Framework for Civilizational Evolution and Energy Use
title: The Multi-Sphere Dyson Model: A Consciousness-Driven Framework for Energy Optimization and Civilization Advancement
titleType: AlternativeTitle
Creators: name: Kiran Kumar Chalapaka
Publisher: name: Zenodo
Year: 2025

description: This paper presents the Multi-Sphere Dyson Model, a novel framework integrating consciousness, entropy, and energy optimization into the study of advanced civilizations. Expanding upon Dyson's original concept of stellar energy harnessing, this model categorizes Dyson spheres based on consciousness levels, where highly conscious beings exist in outer, energy-efficient spheres, while lower-consciousness beings remain in inner, energy-intensive spheres.

Using Landauer’s Principle, General Relativity, and quantum coherence, the paper explores how time dilation, entropy, and computational efficiency influence civilization placement within a multi-layered Dyson structure. Two configurations are proposed:

Type I: A stacked vertical Dyson system, where civilizations ascend as they evolve.

Type II: An equatorial Dyson model, where beings coexist but differ in energy consumption.

The implications of this model suggest a new paradigm for detecting extraterrestrial intelligence, shifting from waste-heat searches to identifying low-entropy, time-dilated civilizations. It also provides insights into humanity’s own trajectory toward energy-efficient and quantum-conscious evolution.

This work offers a theoretical foundation for future research on interstellar intelligence, astroengineering, and the role of consciousness in cosmic development.
Engaging Twa communities in Équateur Province, DRC
Creators: name: Duda, Romain
name: Lys Alcayna-Stevens
name: Bedford, Juliet
Publisher: name: F1000 Research Limited
Year: 2018

description: This brief by the Social Science in Humanitarian Action Platform, summarises key socio-anthropological considerations regarding engaging Twa communities in the context of the outbreak of Ebola in the DRC.
Bulk viscous cosmological model in $f(T,\mathcal{T})$ modified gravity
Creators: name: Solanki, Raja
name: Bhat, Aaqid
name: Sahoo, P. K.
Publisher: name: arXiv
Year: 2024
Subjects: subject: General Relativity and Quantum Cosmology (gr-qc)
subject: Cosmology and Nongalactic Astrophysics (astro-ph.CO)
subject: High Energy Physics - Theory (hep-th)
subject: FOS: Physical sciences

description: This article explores the impact of bulk viscosity on understanding the universe's accelerated expansion within the context of modified $f(T,\mathcal{T})$ gravity, which is an extension of the $f(T)$ gravitational theory, allowing a broad coupling between the energy-momentum scalar $\mathcal{T}$ and the torsion scalar $T$. We consider two $f(T,\mathcal{T})$ functions, specifically $f(T,\mathcal{T})=αT + β\mathcal{T}$ and $f(T,\mathcal{T})=α\sqrt{-T} + β\mathcal{T}$, where $α$ and $β$ are arbitrary constants, along with the fluid part incorporating the coefficient of bulk viscosity $ζ=ζ_0 > 0$. We calculate the analytical solutions of the corresponding field equations for a flat FLRW environment, and then we constrain the free parameters of the obtained solution using CC, Pantheon+, and the CC+Pantheon+ samples. We perform the Bayesian statistical analysis to estimate the posterior probability utilizing the likelihood function and the MCMC random sampling technique. Further, to assess the effectiveness of our MCMC analysis, we estimate the corresponding AIC and BIC values, and we find that there is strong evidence supporting the assumed viscous modified gravity models for all three data sets. Also, we find that the linear model precisely mimics the $Λ$CDM model. We also investigate the evolutionary behavior of some prominent cosmological parameters. We observe that the effective equation of state parameter for both models predict the accelerating behavior of the cosmic expansion phase. In addition, from the statefinder test, we find that the parameters of the considered MOG models favor the quintessence-type behavior.
description: Astroparticle Physics accepted version
57431: Apologia Pro Poemate Meo
Creators: name: Project Team, First World War Poetry Digital Archive
Publisher: name: University of Oxford
Year: 2024
Subjects: classificationCode: 430304
subject: British history
classificationCode: 430308
subject: European history (excl. British, classical Greek and Roman)
classificationCode: 430316
subject: International history

description: I, too, saw God through mud, ---
 The mud that cracked on cheeks when wretches smiled.
 War brought more glory to their eyes than blood,
 And gave their laughs more glee than shakes a child.
 Merry it was to laugh there ---
 Where death becomes absurd and life absurder.
 For power was on us as we slashed bones bare
 Not to feel sickness or remorse of murder.
 I, too, have dropped off Fear ---
 Behind the barrage, dead as my platoon,
 And sailed my spirit surging light and clear
 Past the entanglement where hopes lay strewn;
 And witnessed exultation ---
 Faces that used to curse me, scowl for scowl,
 Shine and lift up with passion of oblation,
 Seraphic for an hour; though they were foul.
 I have made fellowships ---
 Untold of happy lovers in old song.
 For love is not the binding of fair lips
 With the soft silk of eyes that look and long,
 By Joy, whose ribbon slips, ---
 But wound with war's hard wire whose stakes are strong;
 Bound with the bandage of the arm that drips;
 Knit in the webbing of the rifle-thong.
 I have perceived much beauty
 In the hoarse oaths that kept our courage straight;
 Heard music in the silentness of duty;
 Found peace where shell-storms spouted reddest spate.
 Nevertheless, except you share
 With them in hell the sorrowful dark of hell,
 Whose world is but the trembling of a flare
 And heaven but as the highway for a shell,
 You shall not hear their mirth:
 You shall not come to think them well content
 By any jest of mine. These men are worth
 Your tears. You are not worth their merriment.