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61.
Sungjae Choi Jungwoo Park Jiwon Yeon Ahjin Jang Woo Cheol Lee Yangmee Kim 《International journal of molecular sciences》2021,22(7)
Fatty acid synthesis is essential for bacterial viability. Thus, fatty acid synthases (FASs) represent effective targets for antibiotics. Nevertheless, multidrug-resistant bacteria, including the human opportunistic bacteria, Acinetobacter baumannii, are emerging threats. Meanwhile, the FAS pathway of A. baumannii is relatively unexplored. Considering that acyl carrier protein (ACP) has an important role in the delivery of fatty acyl intermediates to other FAS enzymes, we elucidated the solution structure of A. baumannii ACP (AbACP) and, using NMR spectroscopy, investigated its interactions with β-ketoacyl ACP synthase III (AbKAS III), which initiates fatty acid elongation. The results show that AbACP comprises four helices, while Ca2+ reduces the electrostatic repulsion between acid residues, and the unconserved F47 plays a key role in thermal stability. Moreover, AbACP exhibits flexibility near the hydrophobic cavity entrance from D59 to T65, as well as in the α1α2 loop region. Further, F29 and A69 participate in slow exchanges, which may be related to shuttling of the growing acyl chain. Additionally, electrostatic interactions occur between the α2 and α3-helix of ACP and AbKAS III, while the hydrophobic interactions through the ACP α2-helix are seemingly important. Our study provides insights for development of potent antibiotics capable of inhibiting A. baumannii FAS protein–protein interactions. 相似文献
62.
Aleksandra A. Ageeva Ilya M. Magin Alexander B. Doktorov Victor F. Plyusnin Polina S. Kuznetsova Alexander A. Stepanov Alexander A. Alekseev Nikolay E. Polyakov Tatyana V. Leshina 《International journal of molecular sciences》2021,22(12)
The study of the L- and D-amino acid properties in proteins and peptides has attracted considerable attention in recent years, as the replacement of even one L-amino acid by its D-analogue due to aging of the body is resulted in a number of pathological conditions, including Alzheimer’s and Parkinson’s diseases. A recent trend is using short model systems to study the peculiarities of proteins with D-amino acids. In this report, the comparison of the excited states quenching of L- and D-tryptophan (Trp) in a model donor–acceptor dyad with (R)- and (S)-ketoprofen (KP-Trp) was carried out by photochemically induced dynamic nuclear polarization (CIDNP) and fluorescence spectroscopy. Quenching of the Trp excited states, which occurs via two mechanisms: prevailing resonance energy transfer (RET) and electron transfer (ET), indeed demonstrates some peculiarities for all three studied configurations of the dyad: (R,S)-, (S,R)-, and (S,S)-. Thus, the ET efficiency is identical for (S,R)- and (R,S)-enantiomers, while RET differs by 1.6 times. For (S,S)-, the CIDNP coefficient is almost an order of magnitude greater than for (R,S)- and (S,R)-. To understand the source of this difference, hyperpolarization of (S,S)-and (R,S)- has been calculated using theory involving the electron dipole–dipole interaction in the secular equation. 相似文献
63.
Jihao Wang Yufen Han Zhiyang Xu Xiaozhen Yang Seeram Ramakrishna Yong Liu 《大分子材料与工程》2021,306(4):2000724
Polymer systems have typical multiscale characteristics, both in space and time. The mesoscopic properties of polymers are difficult to describe through traditional experimental approaches. Dissipative particle dynamics (DPD) is a simulation method used for solving mesoscale problems of complex fluids and soft matter. The mesoscopic properties of polymer systems, such as conformation, dynamics, and transport properties, have been studied extensively using DPD. This paper briefly summarizes the application of DPD to research involving microchannel flow, electrospinning, free-radical polymerization, polymer self-assembly processes, polymer electrolyte fuel cells, and biomedical materials. The main features and possible development avenues of DPD are described as well. 相似文献
64.
Gilles Thibault Gilles Paintaud Hsueh Cheng Sung Laurie Lajoie Edouard Louis the GETAID Celine Desvignes Herv Watier Valrie Gouilleux-Gruart David Ternant 《International journal of molecular sciences》2021,22(11)
The FcγRIIA/CD32A is mainly expressed on platelets, myeloid and several endothelial cells. Its affinity is considered insufficient for allowing significant binding of monomeric IgG, while its H131R polymorphism (histidine > arginine at position 131) influences affinity for multimeric IgG2. Platelet FcγRIIA has been reported to contribute to IgG-containing immune-complexe clearance. Given our finding that platelet FcγRIIA actually binds monomeric IgG, we investigated the role of platelets and FcγRIIA in IgG antibody elimination. We used pharmacokinetics analysis of infliximab (IgG1) in individuals with controlled Crohn’s disease. The influence of platelet count and FcγRIIA polymorphism was quantified by multivariate linear modelling. The infliximab half-life increased with R allele number (13.2, 14.4 and 15.6 days for HH, HR and RR patients, respectively). It decreased with increasing platelet count in R carriers: from ≈20 days (RR) and ≈17 days (HR) at 150 × 109/L, respectively, to ≈13 days (both HR and RR) at 350 × 109/L. Moreover, a flow cytometry assay showed that infliximab and monomeric IgG1 bound efficiently to platelet FcγRIIA H and R allotypes, whereas panitumumab and IgG2 bound poorly to the latter. We propose that infliximab (and presumably any IgG1 antibody) elimination is partly due to an unappreciated mechanism dependent on binding to platelet FcγRIIA, which is probably tuned by its affinity for IgG2. 相似文献
65.
The effects of α and β phase interactions on the tensile and creep deformation behavior of β titanium alloys was studied using
Ti-6.0wt.% Mn and Ti-8.1wt.%V as the model two-phase alloys, and Ti-13.0wt.%Mn and Ti-14.8wt.%V as the single-phase β alloys.
The β phase of α-βTi-8.1V deforms by stress-induced hexagonal martensite (α′), while slip and twinning occurs in the single-phase
β alloy with the same chemistry as the β phase. No stress-induced martensite was observed in the β or α-βTi-Mn alloys. This
behavior is modeled in terms of a number of factors, including elastic interaction stresses between the α and β phases, coherency
between the α phase and hexagonal martensite, and β phase stability.
This paper was presented at the Beta Titanium Alloys of the 00’s Symposium sponsored by the Titanium Committee of TMS, held
during the 2005 TMS Annual Meeting & Exhibition, February 13–16, 2005 in San Francisco, CA. 相似文献
66.
LI Yundong ZHANG Tianxiang ZHENG Zhi ZHU Yaoxiao Institute of Metal Research Academia Sinica Shenyang China Professor Institute of Metal Research Academia Sinica Shenyang China 《金属学报(英文版)》1990,3(6):393-397
The solid solubilities of 15 common alloying elements added to the Ll_2-type intermetalliccompound Ni_3Si at 900°C have been estimated,and their substitution modes have been de-duced from the direction of solubility lobe of the compound.It is shown that the alloyingbehaviours in Ni_3Si are determined by both size and electronic factors,i.e.,the substitutionmode is governed by electronic configuration and solubility by the both.An interactionparameter is presented to describe quantitatively the influence of electronic configuration onsubstitution mode and the solubility limit can be successfully explained together with atom radius. 相似文献
67.
根据颗粒增强金属基复合材料凝固过程中的颗粒 /界面作用微观机理 ,导出颗粒附近温度场 ,液 /固界面形状 ,颗粒受力情况及颗粒吞并 /推移临界条件数学模型。分析了热导率、颗粒尺寸和凝固速度不同对颗粒 /界面行为的影响。 相似文献
68.
The extinction mechanism of a CH4/N2-air counterflow nonpremixed flame interacting with a single vortex was numerically studied. An augmented reduced mechanism was used to treat the CH4 oxidation reactions. The contribution of each term in the energy and the OH species equations were evaluated to investigate the unsteady extinction mechanism of nonpremixed flame. The flame temperature began to decrease due to the convection heat loss when the flame interacted with a vortex. The investigation of the radical behavior during the flame-vortex interaction process also provided useful information on the unsteady extinction mechanism. The OH radical concentration could be used as a good tracer of the state of the unsteady extinction of nonpremixed flame. The reduction mechanism of OH concentration was confirmed by analyzing the contribution of each term in the OH species equation. At initial stage of flame-vortex interaction, the OH production and consumption rates increased gradually, while the OH concentration was kept nearly constant. Near the extinction limit, the OH production rate decreased rapidly due to the low flame temperature, and the balance between the OH production and OH consumption by diffusion could not be maintained. The unsteady nonpremixed flame interacting with a vortex under the conditions of regime (V) shown in the spectral combustion diagram [Thévenin, D., Renard, P.H., Fiechtner, G.J., Gord, J.R., Rolon, J.C., 2000. Regimes of non-premixed flame-vortex interactions. Proceedings of the Combustion Institute 28, 2101-2108.] was finally extinguished due to low reactivity, which was induced by the low flame temperature. 相似文献
69.
Phaseformation processes are considered at the level of a mesocell of a mixture with the use of the state diagram for a binary system. Consecutive schemes of metallochemical reactions of formation and decomposition of intermetallide compounds in a mixture of nickel and aluminum powders are suggested. The problem of diffusion annealing of this mixture is numerically solved for two different conditions: at a constant temperature and at a temperature slowly increasing by a linear law. 相似文献
70.