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排序方式: 共有5715条查询结果,搜索用时 15 毫秒
1.
Machado J. A. Tenreiro Rocha-Neves J. M. Azevedo Filipe Andrade J. P. 《Nonlinear dynamics》2021,106(2):1525-1555
Nonlinear Dynamics - Given a data-set of Ribonucleic acid (RNA) sequences we can infer the phylogenetics of the samples and tackle the information for scientific purposes. Based on current data and... 相似文献
2.
Vanessa R. Machado Louis P. Sandjo Giovanni L. Pinheiro Milene H. Moraes Mario Steindel Moacir G. Pizzolatti 《Natural product research》2018,32(3):275-281
The natural product lupeol 1 was isolated from aerial parts of Vernonia scorpioides with satisfactory yield, which made it viable to be used as starting material in semisynthetic approach. Ten lupeol derivatives 2–11 were prepared by classical procedures. Including, five new esters derivatives 7–11, which were obtained by structural modifications in the isopropylidene fragment. All semisynthetic compounds and lupeol 1–11 were confirmed by 1H NMR, 13C NMR and HRMS. Their antiprotozoal activity was evaluated in vitro against L. amazonensis and T. cruzi. Derivative 6 showed the best antitrypanosomal activity (IC50 = 12.48 μg/mL) and the lowest cytotoxic derivative (CC50 = 161.50 μg/mL). The mechanism of action of the most active derivatives (4, 6 and 11) is not dependent from the enzyme trypanothione reductase. 相似文献
3.
Kornelija Lasi Ana Bokuli Astrid Mili Biljana Nigovi Ana Mornar 《Biomedical chromatography : BMC》2019,33(8)
This paper presents lipophilicity and bio‐mimetic property determination of 15 phytoestrogens, namely biochanin A, daidzein, formononetin, genistein, genistein‐4,7‐dimethylether, prunetin, 3,4,7‐trihydroxyisoflavon, 4,6,7‐trihydroxyisoflavon, 4,6,7‐trimethoxyisoflavon, daidzin, genistin, ononin, sissotrin, coumestrol and coumestrol dimethylether. High‐performance liquid chromatography with fast gradient elution and Caco‐2 cell line were used to determine the physicochemical properties of selected phytoestrogens. Lipophilicity was determined on octadecyl‐sylane stationary phase using pH 2.0 and pH 7.4 buffers. Immobilized artificial membrane chromatography was used for prediction of interaction with biological membranes. Protein binding was measured on human serum albumin and α‐1‐acid‐glycoprotein (AGP) stationary phases. Caco‐2 assay was used as a gold standard for assessing in vitro permeability. The obtained results differentiate phytoestrogens according to their structure where aglycones show significantly higher lipophilicity, immobilized artificial membrane partitioning, AGP binding and Caco‐2 permeability compared with glucosides. However, human serum albumin binding was very high for all investigated compounds. Furthermore, a good correlation between experimentally obtained chromatographic parameters and in silico prediction was obtained for lipophilicity and human serum albumin binding, while the somewhat greater difference was obtained for AGP binding and Caco‐2 permeability. 相似文献
4.
Osorio Ana C. P. de Sena Rodrigo C. Araújo Thiago de O. de Almeida Marcelo D. 《Accreditation and quality assurance》2019,24(5):387-394
Accreditation and Quality Assurance - The production of Certified Reference Materials (CRMs) is one of the essential activities of the National Institute of Metrology, Quality and Technology... 相似文献
5.
Anaïs Coffinet Dr. David Specklin Dr. Laure Vendier Prof. Dr. Michel Etienne Dr. Antoine Simonneau 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(63):14300-14303
The first example of a formal 1,3-B−H bond addition across the M−N≡N unit of an end-on dinitrogen complex has been achieved. The use of Piers’ borane HB(C6F5)2 was essential to observe this reactivity and it plays a triple role in this transformation: 1) electrophilic N2-borylation agent, 2) Lewis acid in a frustrated Lewis pair-type B−H bond activation, and 3) hydride shuttle to the metal center. This chemistry is supported by NMR spectroscopy and solid-state characterization of products and intermediates. The combination of chelate effect and strong σ donation in the diphosphine ligand 1,2-bis(diethylphosphino)ethane was mandatory to avoid phosphine dissociation that otherwise led to complexes where borylation of N2 occurred without hydride transfer. 相似文献
6.
Ana Diniz Dr. Helena Coelho Dr. Jorge S. Dias Dr. Sandra J. van Vliet Prof. Dr. Jesús Jiménez-Barbero Prof. Dr. Francisco Corzana Prof. Dr. Eurico J. Cabrita Dr. Filipa Marcelo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(61):13945-13955
The human macrophage galactose-type lectin (MGL), expressed on macrophages and dendritic cells (DCs), modulates distinct immune cell responses by recognizing N-acetylgalactosamine (GalNAc) containing structures present on pathogens, self-glycoproteins, and tumor cells. Herein, NMR spectroscopy and molecular dynamics (MD) simulations were used to investigate the structural preferences of MGL against different GalNAc-containing structures derived from the blood group A antigen, the Forssman antigen, and the GM2 glycolipid. NMR spectroscopic analysis of the MGL carbohydrate recognition domain (MGL-CRD, C181-H316) in the absence and presence of methyl α-GalNAc (α-MeGalNAc), a simple monosaccharide, shows that the MGL-CRD is highly dynamic and its structure is strongly altered upon ligand binding. This plasticity of the MGL-CRD structure explains the ability of MGL to accommodate different GalNAc-containing molecules. However, key differences are observed in the recognition process depending on whether the GalNAc is part of the blood group A antigen, the Forssman antigen, or GM2-derived structures. These results are in accordance with molecular dynamics simulations that suggest the existence of a distinct MGL binding mechanism depending on the context of GalNAc moiety presentation. These results afford new perspectives for the rational design of GalNAc modifications that fine tune MGL immune responses in distinct biological contexts, especially in malignancy. 相似文献
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8.
Machado J. A. Tenreiro Rocha-Neves João M. Andrade José P. 《Nonlinear dynamics》2020,101(3):1731-1750
Nonlinear Dynamics - This paper tackles the information of 133 RNA viruses available in public databases under the light of several mathematical and computational tools. First, the formal concepts... 相似文献
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