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A Thermodynamics Model for the Emergence of a Stripe‐like Binary SAM on a Nanoparticle Surface 下载免费PDF全文
Xinwei Ge Pu Chun Ke Thomas P. Davis Feng Ding 《Small (Weinheim an der Bergstrasse, Germany)》2015,11(37):4894-4899
It has been under debate if a self‐assembled monolayer (SAM) with two immiscible ligands of different chain lengths and/or bulkiness can form a stripe‐like pattern on a nanoparticle (NP) surface. The entropic gain upon such pattern formation due to difference in chain lengths and/or bulkiness has been proposed as the driving force in literature. Using atomistic discrete molecular dynamics simulations it is shown that stripe‐like pattern could indeed emerge, but only for a subset of binary SAM systems. In addition to entropic contributions, the formation of a striped pattern also strongly depends upon interligand interactions governed by the physicochemical properties of the ligand constituents. Due to the interplay between entropy and enthalpy, a binary SAM system can be categorized into three different types depending on whether and under what condition a striped pattern can emerge. The results help clarify the ongoing debate and our proposed principle can aid in the engineering of novel binary SAMs on a NP surface. 相似文献
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Cecilia P. Chung Joseph F. Solus Annette Oeser Chun Li Paolo Raggi Jeffrey R. Smith C. Michael Stein 《International journal of molecular sciences》2015,16(2):3885-3894
Objective: Patients with rheumatoid arthritis (RA) have accelerated atherosclerosis, but there is limited information about the genetic contribution to atherosclerosis in this population. Therefore, we examined the association between selected genetic polymorphisms and coronary atherosclerosis in patients with RA. Methods: Genotypes for single-nucleotide polymorphisms (SNPs) in 152 candidate genes linked with autoimmune or cardiovascular risk were measured in 140 patients with RA. The association between the presence of coronary artery calcium (CAC) and SNP allele frequency was assessed by logistic regression with adjustment for age, sex, and race. To adjust for multiple comparisons, a false discovery rate (FDR) threshold was set at 20%. Results: Patients with RA were 54 ± 11 years old and predominantly Caucasian (89%) and female (69%). CAC was present in 70 patients (50%). A variant in rs2073618 that encodes an Asn3Lys missense substitution in the osteoprotegerin gene (OPG, TNFRSF11B) was significantly associated with the presence of CAC (OR = 4.09, p < 0.00026) and withstands FDR correction. Conclusion: Our results suggest that a polymorphism of the TNFRSF11B gene, which encodes osteoprotegerin, is associated with the presence of coronary atherosclerosis in patients with RA. Replication of this finding in independent validation cohorts will be of interest. 相似文献
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Xiaoyan Qiu Yongqiang Zhang Haitao Wu Rui Yang Jun Yang Rongjuan Liu Yong Liu Zhiping Zhou Tongfan Hao Yijing Nie 《Polymer International》2019,68(2):218-224
The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry 相似文献
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Zhongyu Qiu Xiaowen Ge Naibao Huang Shixian Zhou Junjie Zhang Jiaping Xuan 《International Journal of Hydrogen Energy》2021,46(3):2952-2959
Polyethylene oxide (PEO)-polypropylene oxide (PPO)-polyethylene oxide block copolymer having different molecular weights are used as precursors of carbon materials to prepare Hollow -Derivatives carbon material as an electrocatalyst through block copolymer self-assembly. The composition and microstructure of the prepared catalysts are shown by Raman spectroscopy, X-ray diffraction (XRD), Test of nitrogen adsorption and desorption curves, High resolution transmission electron microscopy (HR-TEM) and scanning electron microscopy (HR-SEM). Oxygen was passed into alkaline electrolyte solution until the solution reached saturation state. With molecular weight increasing, the obtained sample gradually changed from block to hollow and spherical. When the molecular weight was 12600 g mol?1, the evenly hollow carbon nanocages was acquired (C-12600). In O2 saturated alkaline electrolyte (0.1 M KOH solution), C-12600's limited current density,half-wave potential and initial potential are 5.23 mA cm?2@0.4 V, 0.72 V and 0.81 V, respectively. And most important is that half-wave potential and onset potential have barely change after 2000 cycles of cyclic voltammetry. As a result, the porous carbon materials exhibited excellent electrocatalytic activity while maintaining high stability in alkaline KOH solution. 相似文献