Substitution models
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In this study, two derivatives of hydrazineylidene-3-oxopropanal: chlorophenyl (CPHO) and Nitrophenyl (NPHO) substituted hydrazineylidene compounds were synthesized, spectroscopically characterized using (FT-IR, UV, and NMR), and theoretically modelled as a potential drug for the treatment of antiviral hepatitis (HBV and HCV) using insillico molecular docking approach.
17p dianmotminh02 03-05-2024 3 1 Download
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Reconstructing phylogenetic trees from protein sequences normally requires empirical amino acid substitution models to calculate the likelihood of trees or genetic distances between species. The tree of life is classified into three domains of Eukaryotes, Archaea, and Bacteria. The amino acid substitution models have been intensively studied for decades, but few are related to Bacteria. Rooting bacterial trees remains a challenging problem in the phylogenetic analysis due to the long branch separating Bacteria and other domains.
14p dianmotminh02 03-05-2024 4 2 Download
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Ebook "Metals in biology: Applications of high-resolution EPR (Volume 29)" covered include: iron–sulfur cluster-containing proteins, molybdenum enzymes, manganese-containing enzymes and photosystem II, cobalt-substituted enzymes, and hyperfine and quadrupole interactions in vanadium proteins and model complexes.
427p ladongphongthanh1008 22-04-2024 3 2 Download
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Knowing the activity of the mutational processes shaping a cancer genome may provide insight into tumorigenesis and personalized therapy. It is thus important to characterize the signatures of active mutational processes in patients from their patterns of single base substitutions.
12p vibransone 28-03-2024 9 2 Download
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The modern industry of the Russian Federation is experiencing an acute shortage of longterm investment resources for technological reequipment programs aimed at import substitution. The purpose of the study is to identify topical issues of the supply chain management at an industrial enterprise that has become an SPV in a business network. The study is mainly based on the methodology for modeling supply chain management of the recipient enterprise and the method of discounting its cash flows generated with the participation of the industrial enterprise in the leasing process.
8p longtimenosee06 27-03-2024 5 2 Download
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In this paper, we introduce gPartition, a new computational partitioning method leveraging both the site rate and the best-fit substitution model. We conducted experiments on recently published alignments to compare gPartition with mPartition and RatePartition. gPartition was orders of magnitude faster than other methods.
8p viberkshire 09-08-2023 10 4 Download
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Part 1 of ebook "Economic growth and macroeconomic dynamics: Recent developments in economic theory" provide readers with content about: topics in growth theory; growth and the elasticity of factor substitution; relative wealth, catching up, and economic growth; statistical issues in growth and dynamics; delinearizing the neoclassical convergence model;...
130p damtuyetha 16-02-2023 6 2 Download
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Dynamic Nuclear Polarization MAS NMR is introduced to characterize model methylcellulose ether compounds at natural isotopic abundance. In particular an approach is provided to determine the position of the methyl ether group within the repeating unit.
9p viginny 30-12-2022 7 2 Download
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This paper presents the theoretical concept used to estimate the Constant Elasticity of Substitution (CES) and Constant Elasticity of Transformation (CET) parameters. Applying the maximum entropy method, the study tries to estimate trade parameters, i.e. CES and CET, the value of which are just assumed in many CGE models.
6p vilexus 30-09-2022 13 3 Download
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(BQ) Ebook Part 1 presents the following content: Effects on rodents of perfluorofatty acids; monofluorinated polycyclic aromatic hydrocarbons: standards in environmental chemistry and biochemical applications; fluoro substitution of carcinogenic aromatic hydrocarbons: models for understanding mechanisms of metabolic activation and of oxygen transfer catalyzed by cytochrome P450; phosphofluoridates: biological activity and biodegradation.
139p runordie7 30-08-2022 8 2 Download
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On the basis of the model and the theory of nonlinear deformation for FCC substitutional and interstitial ternary alloy built by the statistical moment method, we perform numerical calculations for Au, AuSi, and AuCuSi.
15p vimaryamnawaz 04-08-2022 6 2 Download
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Despite the biological and economic significance of scleractinian reef-building corals, the lack of large molecular datasets for a representative range of species limits understanding of many aspects of their biology. Within the Scleractinia, based on molecular evidence, it is generally recognised that there are two major clades, Complexa and Robusta, but the genomic bases of significant differences between them remain unclear.
24p vigalileogalilei 27-02-2022 14 1 Download
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The aim of this study was to establish precision-cut bovine udder slices (PCBUS) as an in-vitro-model to investigate pathophysiological processes in the early phase of mastitis in order to have the possibility to investigate new therapeutic approaches for the treatment of such udder inflammation in later studies. Furthermore, this model should contribute to substitute in-vivo-experiments.
9p vidarwin 23-02-2022 7 1 Download
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Numerous methods have been developed to analyse RNA sequencing (RNA-seq) data, but most rely on the availability of a reference genome, making them unsuitable for non-model organisms. Here we present superTranscripts, a substitute for a reference genome, where each gene with multiple transcripts is represented by a single sequence.
10p vialfrednobel 29-01-2022 6 0 Download
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The palladium-catalyzed reaction between isomeric cyclododec-2-en-1-yl acetates and primary aliphatic alcohols was found to result in high yields of the reaction products obtained. The selectivity with respect to cyclododec-2- en-1-yl ethers formed as reaction products ranged from 73% to 93%. The kinetics of the reaction of acetoxycyclododec-2- enes with alcohols was studied within the temperature range of 328–358 K. A kinetic equation best fitting the experimental data was provided.
6p langthannam 29-12-2021 5 0 Download
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A series of 5-substituted-1,3,4-thiadiazole-based fluoroquinolone derivatives were designed as potential antibacterial and anticancer agents using a molecular hybridization approach. The target compounds 16–25 were synthesized by reacting the corresponding N-(5-substituted-1,3,4-thiadiazol-2-yl)-2-chloroacetamides with ciprofloxacin or norfloxacin. The purity and identity of the synthesized compounds were determined by the use of chromatographic and spectral techniques (NMR, IR, MS, etc.) besides elemental analysis.
20p tudichquannguyet 29-11-2021 8 2 Download
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Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of three-dimensional quantitative structure–activity relationship (3D-QSAR) models were conducted using 36 aromatic compound congeners as the training set and eight aromatic compound congeners as the test set. Logarithms of experimental bioconcentration data (logBCF) were used as dependent variables and the physicochemical properties of the aromatic compound congeners were used as independent variables.
21p tudichquannguyet 29-11-2021 13 1 Download
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A series of sulfonamide derivatives were synthesized by reactions with various functional groups containing benzenesulfonyl chlorides and aniline derivatives under different substitution reaction conditions. The structures of SMZ derivatives were confirmed with melting point, FT-IR, 1 H NMR, 13 C NMR, and LC-MS/MS techniques. In order to investigate the cytotoxic effects of these derivatives, we used a model plant species. The synthesized compounds (S1–S5) and sulfamethazine (SMZ) as a positive control were applied to Arabidopsis thaliana seeds.
18p tudichquannguyet 29-11-2021 10 1 Download
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This work involves a facile synthesis of three (S)-proline-based organocatalysts with C2 symmetry and their effects in enantioselective aldol reaction of acetone with substituted aromatic aldehydes. Moderate enantioselectivities (up to 61% ee) were obtained depending on the nature of the substituents on the aryl ring. Computational calculations at HF/6-31 + G(d) level were employed to underline the enantioselectivity imposed by all the organocatalysts.
58p tudichquannguyet 29-11-2021 7 1 Download
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In this paper, we review state-ofthe-art computational methods to estimate amino acid substitution models from large datasets. We also describe a comprehensive pipeline to practically estimate amino acid models from whole genome datasets. Finally, we apply amino acid substitution models to build phylogenomic trees from bird and plant genome datasets. We compare our newly reconstructed phylogenomic trees and published ones and discuss new findings.
13p spiritedaway36 25-11-2021 6 1 Download