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Vibrational Spectroscopy Investigation Using Ab Initio and Density Functional Theory Analysis on the Structure of tert-Butyl 3a-Chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carbo...
Published 2013-01-01“…The molecular structure, vibrational frequencies, and infrared intensities of the tert-butyl 3a-chloroperhydro-2,6a-epoxyoxireno[e]isoindole-5-carboxylate were calculated by the HF and DFT (BLYP and B3LYP) methods using 6-31G(d) and 6-31G(d,p) basis sets. …”
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ELOE: A WEB APPLICATION FOR ESTIMATION OF GENE TRANSLATION ELONGATION EFFICIENCY
Published 2015-01-01“…The predictions done in this way show a significant correlation with available experimental data on gene expression in various organisms, for instance, S. cerevisiae and H. pylori. In addition, the program identifies preferential codons in a genome and defines the distribution of stability of potential secondary structures in 5′ and 3′ regions of mRNA. …”
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Influence of water content and emulsifiers on the stability and texture of oleogel-emulsions
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Empowering climate action through policy analysis and education in Gilgit-Baltistan: a comprehensive mixed method analysis
Published 2025-03-01“…It calls for urgent policy adaptation, stakeholder engagement, and structured climate education programs to ensure sustainable environmental stewardship in the region.…”
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Teaching modelling of distributed information and control systems to students using the method of simulation modelling
Published 2017-07-01“…One of the most convenient means of mathematical modelling used in the analysis of functioning of systems of this class are simulation models that describe the structure and behavior of the system in the form of a program for the PC and allow conducting computer experiments with the aim of obtaining the necessary data on the functioning of the elements and the system as a whole during certain time intervals. …”
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Computer prediction of biological activity of 2-methyl(phenyl)-6,9-epoksybenzo[g]quinoline-4,5,10-Trion and 5-methyl-(1,2,4-triazolo[4,3-a] quinoline)
Published 2015-04-01“…The main purpose of this work was an establishment of combinatorial library of bioregulators, which combines structures 5,8-dioksoquinoline and furan (1-8), quinoline and triazole (9-12), using computer program PASS (Prediction Activitity Spectra for Substances). …”
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Theoretical Study of Intermolecular Interactions in Benzopyrans Substituted with Polyhaloalkyl Groups
Published 2024-12-01“…A study of the solid-state intermolecular interactions of twenty-nine benzopyrans substituted with polyhaloalkyl groups was carried out by quantum chemical calculations using the Mercury and WinGX computer programs. Molecular structures were obtained from crystallographic information files (CIF) of the CCDC database. …”
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The Mentoring Experiences of Early Career and Senior Academics in a Multicampus University in South Africa
Published 2022-03-01“…Materials/methods – Two different sets of semi-structured interview questions were administered to 16 ECAs and 10 senior academics across the university’s six faculties and three campuses. …”
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Genetic relationship analysis and core collection construction of Eucalyptus grandis from Dongmen improved variety base: the largest eucalypt germplasm resource in China
Published 2024-12-01“…The polymorphism information content (PIC) was employed to assess genetic diversity, yielding a mean value of 0.707. Genetic structure analysis was conducted on 492 individuals from 13 combined populations, revealing three clusters as the most suitable number. …”
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Diversity of Sweet Basil Accessions from Croatian National Plant Gene Bank Based on Amplified Fragment Length Polymorphism Markers
Published 2024-12-01“…Principal coordinate analysis (PCoA) and Bayesian clustering further highlighted the genetic structures, with some admixture observed, particularly in the Purple basil B morphotype. …”
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Polymorphism of microsattelite loci within the grape germplasm collection maintained at the Dagestan Experiment Station of VIR
Published 2019-01-01“…The results of the collection screening with the microsatellite markers were analyzed with Structure 2.3.4 software. The main characteristics of microsatellite loci (Polymorphic Information Content, heterozygosity) were determined using GenAlEx 6.2 program.Results and conclusion. …”
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Screening and Assessment of Genetic Diversity of Rice (<i>Oryza sativa</i> L.) Germplasm in Response to Soil Salinity Stress at Germination Stage
Published 2025-01-01“…Model- and distance-based population structures both inferred the presence of three clusters in the studied rice germplasm. …”
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Emergence and characterization of a ST852 Klebsiella quasipneumoniae clinical isolate coharboring blaNDM-1 and blaKPC-2 in China
Published 2025-05-01“…Conjugation-related elements were predicted using oriTfinder. The plasmid structure was visualized using Circos and similar plasmids in the public database were tracked using BacWGSTdb. …”
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Relationships among thriving at work, organisational commitment and job satisfaction among Chinese front-line primary public health workers during COVID-19 pandemic: a structural e...
Published 2022-06-01“…Objectives This study aims to explore the mediating effect and influence mechanism of organisational commitment on the association among thriving at work and job satisfaction among frontline primary public health workers (PHWs) in China during the COVID-19 pandemic.Design This study is a cross-sectional written survey.Setting We included 20 primary care units in northern provinces of China.Participants A total of 601 PHWs who worked in primary organisations and against COVID-19 on the front line were included.Methods We collected the data from the participants’ written questionnaire (Minnesota Satisfaction Questionnaire, thriving at work scale and organisational commitment scale), and programmed AMOS V.26.0 to develop a structural equation model (SEM) based on the relationships among the three variables.Results The thriving at work scores of the primary PHWs were (M=3.17, SD=0.65), and job satisfaction was (M=3.05, SD=0.69); the scores of their thriving at work, organisational commitment and job satisfaction were all significantly correlated (p<0.01); and the SEM indicated that organisational commitment had a significant partial mediating effect between thriving at work and job satisfaction. …”
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THE GROWTH OF THE DOMESTIC MACHINES TOOL INDUSTRY IN THE ECONOMIC CRISIS
Published 2016-12-01Subjects: “…production and industrial structure…”
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