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排序方式: 共有123条查询结果,搜索用时 15 毫秒
1.
Molecular dynamics simulations show that gold clusters with about 600-3000 atoms crystallize into a Mackay icosahedron upon cooling from the liquid. A detailed surface analysis shows that the facets on the surface of the Mackay icosahedral gold clusters soften but do not premelt below the bulk melting temperature. This softening is found to be due to the increasing mobility of vertex and edge atoms with temperature, which leads to inter-layer and intra-layer diffusion, and a shrinkage of the average facet size, so that the average shape of the cluster is nearly spherical at melting. 相似文献
2.
A multiscale coarse-graining model for ionic liquids has been extended to investigate the unique aggregation of cations in ionic liquids through computer simulation. It has been found that, with sufficiently long side chains, the tail groups of cations aggregate to form spatially heterogeneous domains, while headgroups of the cations and the anions distribute as uniformly as possible. This is understood as the result of competition between the charged electrostatic interactions between headgroups and anions and the collective short-range interactions between the neutral tail groups. This aggregation can help to explain a number of experimentally observed physical phenomena in ionic liquids. 相似文献
3.
Cerebrovascular diseases (CVDs) are among the most serious diseases with high mortality and disability rates. The prevalent diagnosis and treatment methods of CVDs include imaging and interventional therapy. With the development of nanotechnology, large numbers of nanomaterials have been applied to the diagnosis and treatment of CVDs, mainly including carbon nanotubes, quantum dots, fullerenes, and dendrimers. In this review, the applications of nanomaterials in the field of diagnosis and treatment of CVDs, mainly including drug target delivery, imaging, therapy, endovascular treatment, and angiogenesis, are summarized. The applications of nanomaterials in the field of CVD are almost in the laboratory, and more effort is needed for clinical translation. The aim of this review is to provide useful information for future research and equipment development. 相似文献
4.
17β‐Estradiol (E2) surface molecularly imprinted polymers have been prepared using functionalized monodispersed poly(glycidyl methacrylate‐co‐ethylene dimethacrylate) beads as a support. The resulting polymers were found to be uniform in size (5 μm), and the surfaces of the microspheres possessed large pore‐like structures. A chromatographic experiment demonstrated that the resulting microspheres exhibited high levels of recognition and selectivity toward the target molecule. The particles were employed as a novel sorbent in a molecularly imprinted SPE protocol. A method was then developed involving the combination of the pretreatment with HPLC to determine the levels of estrogen secreted from Michigan Cancer Foundation‐7 cells. The obtained results revealed that the extraction recoveries of E2 from real samples were in the range of 73.0–97.5% with RSDs of < 7.5% (n = 3). Calibration curves were established with R values > 0.9996 for concentrations in the range of 0.50–100.00 ng/mL. The LOD of this new method was 0.14 ng/mL. Compared with traditional C18 SPE agents, the particles showed high selectivity and extraction efficiency for E2 in the pretreatment process. The particles could therefore be used to determine trace estrogen in biological samples with a UV detector only. 相似文献
5.
Yanting Song Katsuya Takatsuki Muneki Isokawa Tetsushi Sekiguchi Jun Mizuno Takashi Funatsu Shuichi Shoji Makoto Tsunoda 《Analytical and bioanalytical chemistry》2013,405(25):7993-7999
In this study, a fast and quantitative determination method for branched-chain amino acids (BCAAs), namely leucine, isoleucine, and valine, was developed using a pillar array column. A pillar array column with low-dispersion turns was fabricated on a 20?×?20-mm2 microchip using multistep ultraviolet photolithography and deep reactive ion etching. The BCAAs were fluorescently labeled with 4-fluoro-7-nitro-2,1,3-benzoxadiazole (NBD-F), followed by reversed-phase separation on the pillar array column. The NBD derivatives of the three BCAAs and an internal standard (6-aminocaproic acid) were separated in 100 s. The calibration curves for the NBD-BCAAs had good linearity in the range of 0.4–20 μM, using an internal standard. The intra- and interday precisions were found to be in the ranges of 1.42–3.80 and 2.74–6.97 %, respectively. The accuracies for the NBD-BCAA were from 90.2 to 99.1 %. The method was used for the analysis of sports drink and human plasma samples. The concentrations of BCAAs determined by the developed method showed good agreements with those determined using a conventional high-performance liquid chromatography system. As BCAAs are important biomarkers of some diseases, these results showed that the developed method could be a potential diagnostic tool in clinical research. 相似文献
6.
The integration technology of hydrogen preparation–hydrogen storage not only can utilize hydrogen energy efficiently but also can improve the selectivity of the electrode maximally. In the present work, the structure and composition of the PtNi catalyst was characterized by X-ray diffraction (XRD); and its electrochemical properties, morphology, and surface binding energy were analyzed by cyclic voltammetry (CV) and linear scanning voltammetry (LSV), scanning electron microscopy equipped with energy-dispersive spectrometry (SEM-EDS), and X-ray photoelectron spectroscopy (XPS), respectively. The effects of different acid etching treatments (e.g., etching time, etchant concentration, and etching temperature) on the structure and surface active sites were investigated by the orthogonal experiment. The experimental results reveal that after etching with 0.5 mol/L of perchloric acid for 0.5 h at 60°C, the electrode weight loss of the PtNi catalyst is mainly attributed to the large loss of Ni atoms in film layer. This results in the reduced alloy phase in film layer and the appearance of Pt characteristic diffraction peak. The relative content of Pt on the surface of the film electrode increases significantly, and the total number of active sites also increases correspondingly. The binding energy of Pt4f7/2 decreases by 0.19 eV, and the number of active sites involved in hydrogen release decreases, indicative of the reduced promotion effect of the PtNi catalyst on hydrogen release. 相似文献
7.
L-羟脯氨酸寡肽混合物的高效液相色谱分离与质谱分析 总被引:3,自引:0,他引:3
研究了三氯氧磷辅助下L-羟脯氨酸的成肽反应,建立了采用反相高效液相色谱-质谱/质谱联用技术分离鉴定羟脯氨酸寡肽混合物的方法,优化了L-羟脯氨酸寡肽混合物的色谱分离条件。实验以YWG C8柱(10 μm,250 mm×10 mm)为分离柱,以乙腈-0.06%三氟乙酸水溶液(体积比为2∶98)为流动相进行等度洗脱,在正离子模式下对洗脱物进行了电喷雾电离串联质谱鉴定。结果显示,分离出的各组分分别为L-羟脯氨酸二肽、L-羟脯氨酸环二肽和L-羟脯氨酸三肽。 相似文献
8.
Motivated by recent theoretical and experimental advances in quantum simulations using alkaline earth(AE)atoms,we put forward a proposal to detect the Kondo physics in a cold atomic system.It has been demonstrated that the intrinsic spin-exchange interaction in AE atoms can be significantly enhanced near a confinement-induced resonance(CIR),which facilitates the simulation of Kondo physics.Since the Kondo effect appears only for antiferromagnetic coupling,we find that the conductivity of such system exhibits an asymmetry across a resonance of spin-exchange interaction.The asymmetric conductivity can serve as the smoking gun evidence for Kondo physics in the cold atom context.When an extra magnetic field ramps up,the spin-exchange process near Fermi surface is suppressed by Zee-man energy and the conductivity becomes more and more symmetric.Our results can be verified in the current experimental setup. 相似文献
9.
Transition-metal oxides are considered to be a promising anode material for lithium-ion batteries(LIBs)due to their high capacities,low cost,and ease of synthesis.Herein,a hybrid nanosheet composed of uniform MoO_2 nanoparticles(NPs) homogeneously immobilized on the reduced graphene oxide nanosheets(MoO_2 NP@rGO) is first synthesized by a self-templating and subsequent calcination treatment.The unique two-dimensional hybridnanosheets provides several merits.rGO can be used as a favorable support for the loading of electrochemically active MoO_2 NPs.Meanwhile,MoO_2 NPs can effectively prevent the stacking of the rGO.The effective combination of MoO_2 NPs and rGO nanosheets furnish additional electrochemically interfacial active sites for extra lithium ion sto rage.Noticeably,the as-fabricated hybrid nanosheets deliver a reversible capacity of 641 mAh/g after 350 cycles at a current density of 1000 mA/g with a good rate capability.The greatly enhanced lithium storage properties of MoO_2 NP@rGO indicate the importance of elaborate construction of novel hybrid hierarchical structures. 相似文献
10.
Pan Hong Huang Xiaoxiao Zhang Rui Zhang Tao Chen Yanting Hoang Tuan K. A. Wen Guangwu 《Journal of Solid State Electrochemistry》2018,22(11):3557-3568
Journal of Solid State Electrochemistry - With up to fivefold higher in energy density vs. lithium-ion battery, lithium–sulfur (Li–S) battery is a compelling energy storage system,... 相似文献