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31.
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Thin Film Thermoelectric Metal–Organic Framework with High Seebeck Coefficient and Low Thermal Conductivity 下载免费PDF全文
33.
Pierre Santucci Christina Dedaki Alexandros Athanasoulis Laura Gallorini Anaïs Munoz Dr. Stéphane Canaan Dr. Jean-François Cavalier Dr. Victoria Magrioti 《ChemMedChem》2019,14(3):349-358
In the quest for new antibacterial agents, a series of novel long- and medium-chain mono- and disubstituted β-lactones was developed. Their activity against three pathogenic mycobacteria—M. abscessus, M. marinum, and M. tuberculosis—was assessed by the resazurin microtiter assay (REMA). Among the 16 β-lactones synthesized, only 3-hexadecyloxetan-2-one (VM005) exhibited promising activity against M. abscessus, whereas most of the β-lactones showed interesting activities against M. marinum, similar to that of the classical antibiotic, isoniazid. Regarding M. tuberculosis, six compounds were found to be active against this mycobacterium, with β-lactone VM008 [trans-(Z)-3-(hexadec-7-en-1-yl)-4-propyloxetan-2-one] being the best growth inhibitor. The promising antibacterial activities of the best compounds in this series suggest that these molecules may serve as leads for the development of much more efficient antimycobacterial agents. 相似文献
34.
Gabriel Rodrigues de Almeida Neto Cesar Augusto Gonçalves Beatrice Daniel Rodrigo Leiva Luiz Antonio Pessan 《International Journal of Hydrogen Energy》2021,46(46):23767-23778
This study investigates the preparation of polyetherimide (PEI) – LaNi5 composites films for hydrogen storage. Prior to the polymer addition, LaNi5 was ball-milled at different conditions (250, 350, and 450 RPM) and annealed at 500 °C for 1 h under vacuum. The composites were produced with BM-LaNi5-350 (PEI/LaNi5-350) and annealed BM-LaNi5-350 (PEI/LaNi5-350-TT). Membranes were successfully produced through solvent casting assisted by an ultrasonic bath. The particles dispersion and the film morphology did not change after hydrogenation cycles. In the H2 sorption experiments at 43 °C and 20 bar, the films stored H2 without incubation time; both samples reached a capacity of ~0.6 wt%. The H2 sorption kinetics of PEI/LaNi5-350 was comparable to that of BM-LaNi5-350, whereas PEI/LaNi5-350-TT presented significantly slower kinetics. LaNi5 oxidation was hindered by PEI, showing that it can be explored to improve metal hydrides air resistance. The results demonstrated that PEI films filled with LaNi5 are promising materials for hydrogen storage. 相似文献
35.
Dr. Alexander Fries Dr. Laura S. Mazzaferro Dr. Björn Grüning Dr. Philippe Bisel Karin Stibal Patrick C. F. Buchholz Prof. Dr. Jürgen Pleiss Prof. Dr. Georg A. Sprenger Prof. Dr. Michael Müller 《Chembiochem : a European journal of chemical biology》2019,20(13):1672-1677
Chorismate and isochorismate constitute branch-point intermediates in the biosynthesis of many aromatic metabolites in microorganisms and plants. To obtain unnatural compounds, we modified the route to menaquinone in Escherichia coli. We propose a model for the binding of isochorismate to the active site of MenD ((1R,2S, 5S,6S)-2-succinyl-5-enolpyruvyl-6-hydroxycyclohex-3-ene-1-carboxylate (SEPHCHC) synthase) that explains the outcome of the native reaction with α-ketoglutarate. We have rationally designed variants of MenD for the conversion of several isochorismate analogues. The double-variant Asn117Arg–Leu478Thr preferentially converts (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylate (2,3-trans-CHD), the hydrolysis product of isochorismate, with a >70-fold higher ratio than that for the wild type. The single-variant Arg107Ile uses (5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate (2,3-trans-CHA) as substrate with >6-fold conversion compared to wild-type MenD. The novel compounds have been made accessible in vivo (up to 5.3 g L−1). Unexpectedly, as the identified residues such as Arg107 are highly conserved (>94 %), some of the designed variations can be found in wild-type SEPHCHC synthases from other bacteria (Arg107Lys, 0.3 %). This raises the question for the possible natural occurrence of as yet unexplored branches of the shikimate pathway. 相似文献
36.
Paul-Baptiste Rubio François Louf Ludovic Chamoin 《International journal for numerical methods in engineering》2019,120(4):447-472
The motivation of this work is to address real-time sequential inference of parameters with a full Bayesian formulation. First, the proper generalized decomposition (PGD) is used to reduce the computational evaluation of the posterior density in the online phase. Second, Transport Map sampling is used to build a deterministic coupling between a reference measure and the posterior measure. The determination of the transport maps involves the solution of a minimization problem. As the PGD model is quasi-analytical and under a variable separation form, the use of gradient and Hessian information speeds up the minimization algorithm. Eventually, uncertainty quantification on outputs of interest of the model can be easily performed due to the global feature of the PGD solution over all coordinate domains. Numerical examples highlight the performance of the method. 相似文献
37.
38.
Bican Osman Bayça Salih Uğur Kuleyin Hamdi Gümrük Recep 《Metal Science and Heat Treatment》2021,63(3-4):156-162
Metal Science and Heat Treatment - The effect of solid boronizing at 950°C for 2 and 4 h on the phase composition, microstructure, hardness and abrasive wear of steel AISI 304L is studied... 相似文献
39.
40.
Mri Miczi Mria Golda Balzs Kunkli Tibor Nagy Jzsef Tzsr Jnos Andrs Mtyn 《International journal of molecular sciences》2020,21(24)
The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of coronavirus disease-19 (COVID-19) being associated with severe pneumonia. Like with other viruses, the interaction of SARS-CoV-2 with host cell proteins is necessary for successful replication, and cleavage of cellular targets by the viral protease also may contribute to the pathogenesis, but knowledge about the human proteins that are processed by the main protease (3CLpro) of SARS-CoV-2 is still limited. We tested the prediction potentials of two different in silico methods for the identification of SARS-CoV-2 3CLpro cleavage sites in human proteins. Short stretches of homologous host-pathogen protein sequences (SSHHPS) that are present in SARS-CoV-2 polyprotein and human proteins were identified using BLAST analysis, and the NetCorona 1.0 webserver was used to successfully predict cleavage sites, although this method was primarily developed for SARS-CoV. Human C-terminal-binding protein 1 (CTBP1) was found to be cleaved in vitro by SARS-CoV-2 3CLpro, the existence of the cleavage site was proved experimentally by using a His6-MBP-mEYFP recombinant substrate containing the predicted target sequence. Our results highlight both potentials and limitations of the tested algorithms. The identification of candidate host substrates of 3CLpro may help better develop an understanding of the molecular mechanisms behind the replication and pathogenesis of SARS-CoV-2. 相似文献