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21.
Specific ion effects on the electrophoretic mobility of small,highly charged peptides: A modeling study 下载免费PDF全文
Stuart A. Allison Hengfu Wu Tuyen M. Bui Lac Dang Giang H. Huynh Tam Nguyen Linda Soegiarto Bi C. Truong 《Journal of separation science》2014,37(17):2403-2410
In this work, we use coarse‐grained modeling to study the free solution electrophoretic mobility of small highly charged peptides (lysine, arginine, and short oligos thereof (up to nonapeptides)) in NaCl and Na2SO4 aqueous solutions at neutral pH and room temperature. The experimental data are taken from the literature. A bead modeling methodology that treats the electrostatics at the level of the nonlinear Poisson Boltzmann equation developed previously in our laboratory is able to account for the mobility of all peptides in NaCl, but not Na2SO4. The peptide mobilities in Na2SO4 can be accounted for by including sulfate binding in the model and this is proposed as one possible explanation for the discrepancy. Oligo arginine peptides bind more sulfate than oligo lysines and sulfate binding increases with the oligo length. 相似文献
22.
The paper deals with the classical fiber bundle model with brittle Weibull fibers and equal load sharing. This model is significant for the strength of fibrous materials and composites, and the generally random strength of quasi-brittle structures. The model is also relevant for the analysis of the reliability of various parallel systems (computer components, infrastructure etc.). An improved closed-form Gaussian approximation of the standard deviation of bundle strength is presented and compared with accurate solution calculated by recursive formula proposed by Daniels. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
23.
Than Ha An Quoc Pham Thien Huu Nguyen Duyen Ky Vo Pham Thuong Hoai Khacef Ahmed 《Plasma Chemistry and Plasma Processing》2022,42(1):73-89
Plasma Chemistry and Plasma Processing - Non-thermal plasma is widely considered as an effective technology for applications in agriculture. Particularly, numerous reports studies have highlighted... 相似文献
24.
Cong-Luan Tran Thi-Bich-Ngoc Dao Thanh-Nha Tran Dinh-Tri Mai Thi-Minh-Dinh Tran Nguyen-Minh-An Tran Van-Son Dang Thi-Xuyen Vo Thuc-Huy Duong Jirapast Sichaem 《Molecules (Basel, Switzerland)》2021,26(8)
Bioactive-guided phytochemical investigation of Euphorbia antiquorum L. growing in Vietnam led to the isolation of five ent-atisanes, one seco-ent-atisane, and one lathyrane (ingol-type). The structures were elucidated as ent-1α,3α,16β,17-tetrahydroxyatisane (1), ethyl ent-3,4-seco-4,16β,17-trihydroxyatisane-3-carboxylate (2), ent-atisane-3-oxo-16β,17-acetonide (3), ent-3α-acetoxy-16β,17-dihydroxyatisane (4), ent-16β,17-dihydroxyatisane-3-one (5), calliterpenone (6), and ingol 12-acetate (7). Their chemical structures were unambiguously determined by analysis of one-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance (NMR) and high resolution mass spectrometry, as well as by comparison with literature data. Among them, 1 is a new compound while 2 is an ethylated artifact of ent-3,4-seco-4,16β,17-trihydroxyatisane-3-carboxylic acid, a new compound. Isolates were evaluated for alpha-glucosidase inhibition. Compound 3 showed the most significant inhibitory activity against alpha-glucosidase with an IC50 value of 69.62 µM. Further study on mechanism underlying yeast alpha-glucosidase inhibition indicated that 3 could retard the enzyme function by noncompetitive. 相似文献
25.
Spontaneous melting of a perfect crystalline graphene model in 2D space is studied via molecular dynamics simulation. Model containing 104 atoms interacted via long-range bond-order potential (LCBOP) is heated up from 50 to 8,450 K in order to see evolution of various thermodynamic quantities, structural characteristics and occurrence of various structural defects. We find that spontaneous melting of our graphene model in 2D space exhibits a first-order behaviour of the transition from solid 2D graphene sheet into a ring-like structure 2D liquid. Occurrence and clustering of Stone–Wales defects are the first step of melting process followed by breaking of C–C bonds, occurrence/growth of various types of vacancies and multi-membered rings. Unlike that found for melting of a 2D crystal with an isotropic bonding, these defects do not occur homogeneously throughout the system, they have a tendency to aggregate into a region and liquid phase initiates/grows from this region via tearing-like or crack-propagation-like mechanism. Spontaneous melting point of our graphene model occurs at Tm = 7,750 K. The validity of classical nucleation theory and Berezinsky–Kosterlitz–Thouless–Nelson–Halperin–Young (BKTNHY) one for the spontaneous melting of our graphene model in strictly 2D space is discussed. 相似文献
26.
Ngo Ngoc Ha Nguyen Truong Giang Tran Ngoc Khiem Nguyen Duc Dung Tom Gregorkiewicz 《固体物理学:研究快报》2016,10(11):824-827
Photogenerated carriers in Si–Ge alloy nanocrystals (NCs) prepared by co‐sputtering method were investigated by mean of transient induced absorption. The carrier relaxation features multiple components, with three decay life times of τ ≈ 600 fs, 12 ps, and 15 ns, established for Si0.2Ge0.8 alloy NCs of a mean crystal size of 9 nm and standard deviation of 3 nm. Deep carrier traps, identified at the boundary between the NCs and the SiO2 host with the ionization energy of about 1 eV, are characterized by a long‐range Coulombic potential. These are responsible for rapid depletion of free carrier population within a few picoseconds after the excitation, which explains the low emissivity of the investigated materials, and also sheds light on the generally low luminescence of Si/Ge and Ge NCs. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
27.
Yaqin Xu Zhuyuan Zhang Dr. M. Monsur Ali Joanna Sauder Xudong Deng Karen Giang Sergio D. Aguirre Prof. Dr. Robert Pelton Prof. Dr. Yingfu Li Prof. Dr. Carlos D. M. Filipe 《Angewandte Chemie (International ed. in English)》2014,53(10):2620-2622
An odor‐based sensor system that exploits the metabolic enzyme tryptophanase (TPase) as the key component is reported. This enzyme is able to convert an odorless substrate like S‐methyl‐L ‐cysteine or L ‐tryptophan into the odorous products methyl mercaptan or indole. To make a biosensor, TPase was biotinylated so that it could be coupled with a molecular recognition element, such as an antibody, to develop an ELISA‐like assay. This method was used for the detection of an antibody present in nM concentrations by the human nose. TPase can also be combined with the enzyme pyridoxal kinase (PKase) for use in a coupled assay to detect adenosine 5′‐triphosphate (ATP). When ATP is present in the low μM concentration range, the coupled enzymatic system generates an odor that is easily detectable by the human nose. Biotinylated TPase can be combined with various biotin‐labeled molecular recognition elements, thereby enabling a broad range of applications for this odor‐based reporting system. 相似文献
28.
Chemical Probing of the Human Sirtuin 5 Active Site Reveals Its Substrate Acyl Specificity and Peptide‐Based Inhibitors 下载免费PDF全文
Claudia Roessler Theresa Nowak Martin Pannek Dr. Melanie Gertz Giang T. T. Nguyen Michael Scharfe Dr. Ilona Born Prof. Dr. Wolfgang Sippl Prof. Dr. Clemens Steegborn Prof. Dr. Mike Schutkowski 《Angewandte Chemie (International ed. in English)》2014,53(40):10728-10732
Sirtuins are NAD+‐dependent deacetylases acting as sensors in metabolic pathways and stress response. In mammals there are seven isoforms. The mitochondrial sirtuin 5 is a weak deacetylase but a very efficient demalonylase and desuccinylase; however, its substrate acyl specificity has not been systematically analyzed. Herein, we investigated a carbamoyl phosphate synthetase 1 derived peptide substrate and modified the lysine side chain systematically to determine the acyl specificity of Sirt5. From that point we designed six potent peptide‐based inhibitors that interact with the NAD+ binding pocket. To characterize the interaction details causing the different substrate and inhibition properties we report several X‐ray crystal structures of Sirt5 complexed with these peptides. Our results reveal the Sirt5 acyl selectivity and its molecular basis and enable the design of inhibitors for Sirt5. 相似文献
29.
Hee-Jeong Cha Se-Yeun Hwang Da-Som Lee Dr. Akula Ravi Kumar Prof. Dr. Yong-Uk Kwon Moritz Voß Eva Schuiten Prof. Dr. Uwe T. Bornscheuer Prof. Dr. Frank Hollmann Prof. Dr. Deok-Kun Oh Prof. Dr. Jin-Byung Park 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(18):7090-7094
Long-chain aliphatic amines such as (S,Z)-heptadec-9-en-7-amine and 9-aminoheptadecane were synthesized from ricinoleic acid and oleic acid, respectively, by whole-cell cascade reactions using the combination of an alcohol dehydrogenase (ADH) from Micrococcus luteus, an engineered amine transaminase from Vibrio fluvialis (Vf-ATA), and a photoactivated decarboxylase from Chlorella variabilis NC64A (Cv-FAP) in a one-pot process. In addition, long chain aliphatic esters such as 10-(heptanoyloxy)dec-8-ene and octylnonanoate were prepared from ricinoleic acid and oleic acid, respectively, by using the combination of the ADH, a Baeyer–Villiger monooxygenase variant from Pseudomonas putida KT2440, and the Cv-FAP. The target compounds were produced at rates of up to 37 U g−1 dry cells with conversions up to 90 %. Therefore, this study contributes to the preparation of industrially relevant long-chain aliphatic chiral amines and esters from renewable fatty acid resources. 相似文献
30.
Cellulosic value-added products from sugarcane bagasse 总被引:1,自引:0,他引:1
Cellulose - Sugarcane bagasse (SCB) is a major by-product of the sugarcane industry and one of the most common renewable and sustainable cellulosic materials for various industrial... 相似文献