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61.
Cover Picture: Switching of Bacterial Adhesion to a Glycosylated Surface by Reversible Reorientation of the Carbohydrate Ligand (Angew. Chem. Int. Ed. 52/2014) 下载免费PDF全文
62.
Jinting Zhou Wei Lu Fangyu Hu Mengyu Zhang Liming Jiang Zhiquan Shen 《Journal of polymer science. Part A, Polymer chemistry》2014,52(16):2248-2257
A novel AB type of clickable monomer, (S)‐2‐[(2‐azido‐1‐phenylethylimino)methyl]‐5‐propargyloxyphenol (AMPP) was designed and polymerized to yield a class of main‐chain chiral poly(imine‐triazole)s through the metal‐free click reaction. With the thermally induced polymerization, the desired polytriazoles can be easily prepared in high yields by a stepwise heating‐up process and have the number‐average molecular masses ranging from 5.1 × 103 to 58.1 × 103 (polydispersity indices = 1.38?1.68). The polymers were characterized by Fourier Transform Infrared spectroscopy (FTIR), 1H Nuclear Magnetic Resonance (NMR), and gel permeation chromatography, and their optical properties were studied by fluorescence and circular dichroism (CD) spectroscopies. As a chemosensor, these polymers exhibited a selective “turn‐on” fluorescence enhancement response toward Zn2+ ion over other cations such as Na+, K+, Mg2+, Ca2+, Ag+, Pb2+, Cd2+, Hg2+, Mn2+, and Ni2+ in dimethyl sulfoxide. However, the Zn2+‐induced fluorescence signal was subject to serious interference by Al3+, Cu2+, Cr3+, and Fe3+ ions. Interestingly, the chiral polymer showed distinctive changes in the CD spectra on complexation with Zn2+, which allowed for the discrimination of this ion in the presence of other species tested including those interfering ions observed in the fluorescent detection. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 2248–2257 相似文献
63.
Ursula M Kotyrba Kevin Pr?pper Eike-F Sachs Anastasiya Myanovska Tobias Joppe Friederike Lissy George M Sheldrick Konrad Koszinowski Ulf Diederichsen 《ChemistryOpen》2014,3(4):152-160
The DNA bisintercalator triostin A is structurally based on a disulfide-bridged depsipeptide scaffold that provides preorganization of two quinoxaline units in 10.5 Å distance. Triostin A analogues are synthesized with nucleobase recognition units replacing the quinoxalines and containing two additional recognition units in between. Thus, four nucleobase recognition units are organized on a rigid template, well suited for DNA double strand interactions. The new tetra-nucleobase binders are synthesized as aza-TANDEM derivatives lacking the N-methylation of triostin A and based on a cyclopeptide backbone. Synthesis of two tetra-nucleobase aza-TANDEM derivatives is established, DNA interaction analyzed by microscale thermophoresis, cytotoxic activity studied and a nucleobase sequence dependent self-aggregation investigated by mass spectrometry. 相似文献
64.
Dr. Malin Li Dr. Yu Gao Dr. Nan Chen Dr. Xing Meng Prof. Chunzhong Wang Dr. Yaoqing Zhang Dr. Dong Zhang Prof. Yingjin Wei Dr. Fei Du Prof. Gang Chen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(32):11405-11412
Cu3V2O8 nanoparticles with particle sizes of 40–50 nm have been prepared by the co‐precipitation method. The Cu3V2O8 electrode delivers a discharge capacity of 462 mA h g?1 for the first 10 cycles and then the specific capacity, surprisingly, increases to 773 mA h g?1 after 50 cycles, possibly as a result of extra lithium interfacial storage through the reversible formation/decomposition of a solid electrolyte interface (SEI) film. In addition, the electrode shows good rate capability with discharge capacities of 218 mA h g?1 under current densities of 1000 mA g?1. Moreover, the lithium storage mechanism for Cu3V2O8 nanoparticles is explained on the basis of ex situ X‐ray diffraction data and high‐resolution transmission electron microscopy analyses at different charge/discharge depths. It was evidenced that Cu3V2O8 decomposes into copper metal and Li3VO4 on being initially discharged to 0.01 V, and the Li3VO4 is then likely to act as the host for lithium ions in subsequent cycles by means of the intercalation mechanism. Such an “in situ” compositing phenomenon during the electrochemical processes is novel and provides a very useful insight into the design of new anode materials for application in lithium‐ion batteries. 相似文献
65.
Prediction of 195Pt NMR chemical shifts of dissolution products of H2[Pt(OH)6] in nitric acid solutions by DFT methods: how important are the counter‐ion effects? 下载免费PDF全文
Athanassios C. Tsipis Ioannis N. Karapetsas 《Magnetic resonance in chemistry : MRC》2016,54(8):656-664
195Pt NMR chemical shifts of octahedral Pt(IV) complexes with general formula [Pt(NO3)n(OH)6 ? n]2?, [Pt(NO3)n(OH2)6 ? n]4 ? n (n = 1–6), and [Pt(NO3)6 ? n ? m(OH)m(OH2)n]?2 + n ? m formed by dissolution of platinic acid, H2[Pt(OH)6], in aqueous nitric acid solutions are calculated employing density functional theory methods. Particularly, the gauge‐including atomic orbitals (GIAO)‐PBE0/segmented all‐electron relativistically contracted–zeroth‐order regular approximation (SARC–ZORA)(Pt) ∪ 6–31G(d,p)(E)/Polarizable Continuum Model computational protocol performs the best. Excellent second‐order polynomial plots of δcalcd(195Pt) versus δexptl(195Pt) chemical shifts and δcalcd(195Pt) versus the natural atomic charge QPt are obtained. Despite of neglecting relativistic and spin orbit effects the good agreement of the calculated δ 195Pt chemical shifts with experimental values is probably because of the fact that the contribution of relativistic and spin orbit effects to computed σiso 195Pt magnetic shielding of Pt(IV) coordination compounds is effectively cancelled in the computed δ 195Pt chemical shifts, because the relativistic corrections are expected to be similar in the complexes and the proper reference standard used. To probe the counter‐ion effects on the 195Pt NMR chemical shifts of the anionic [Pt(NO3)n(OH)6 ? n]2? and cationic [Pt(NO3)n(OH2)6 ? n]4 ? n (n = 0–3) complexes we calculated the 195Pt NMR chemical shifts of the neutral (PyH)2[Pt(NO3)n(OH)6 ? n] (n = 1–6; PyH = pyridinium cation, C5H5NH+) and [Pt(NO3)n(H2O)6 ? n](NO3)4 ? n (n = 0–3) complexes. Counter‐anion effects are very important for the accurate prediction of the 195Pt NMR chemical shifts of the cationic [Pt(NO3)n(OH2)6 ? n]4 ? n complexes, while counter‐cation effects are less important for the anionic [Pt(NO3)n(OH)6 ? n]2? complexes. The simple computational protocol is easily implemented even by synthetic chemists in platinum coordination chemistry that dispose limited software availability, or locally existing routines and knowhow. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
66.
We are presenting a differential three-dimensional (3-D) shape profiling method that is based on the combination of orthogonal fringe projection. It allows us to compute depth gradient maps in a fast and efficient manner. What we are demonstrating is that depth gradients can be computed in a simple way by measuring fringe deformation throughout a novel single-shot approach. We show the usefulness and potential applications of the proposed approach. Validation experiments are presented as well. 相似文献
67.
Using a molecular dynamics simulation technique,we compared several commonly used ion-water models to describe the microscopic structures and dynamics in KSCN aqueous solutions.Results are compared with observations of femtosecond infrared vibrational-energy transfer and anisotropy measurements.The Jorgensen/TIP4P model is found to provide the best reproduction of clustering properties such as percentage of clustered ions,cluster-size distribution,concentration dependence of the water,and ion-rotation time constants. 相似文献
68.
In response to the rapid advancement of auto-refractor technology, most optometry shops provide refraction services. Despite their speed and convenience, the measurement values provided by auto-refractors include a significant degree of error due to psychological and physical factors. Therefore, there is a need for repetitive testing to obtain a smaller mean error value. However, even repetitive testing itself might not be sufficient to ensure accurate measurements. Therefore, research on a method of measurement that can complement auto-refractor measurements and provide confirmation of refraction results needs to be conducted. The customized optometry model described herein can satisfy the above requirements. From the existing optical technologies, using human eye measurement devices to obtain individual relevant optical feature parameters is no longer difficult. These parameters allow us to construct an optometry model for individual eyeballs. They also allow us to compute spot diagrams produced from the optometry model using the CODE V macro programming language before recognizing the geometrical spot diagram with the back-propagation neural network algorithm to obtain the accurate refractive diopter. Results show that the accuracy achieved was above 98% and that this application could significantly enhance the service quality of refraction. 相似文献
69.
建立了离子色谱法分析火灾烟气成分的方法。样品用去离子水和氢氧化钠溶液配制,采用0.45μm的滤膜过滤2~3次后,配制成样品溶液,稀释适当倍数后进样分析,采用电导检测器进行检测。各阴离子在1.0~50.0mg/L范围内与色谱峰面积均呈现良好的线性关系,相关系数均大于0.999,方法的检出限在0.06~0.1 mg/L之间。方法的加标回收率在86.0%~110%之间,测定结果的相对标准偏差为0.5%~9.0%(n=5)。该方法简便快捷,选择性好,灵敏度高,可满足火灾烟气成分的分析要求。 相似文献
70.
Dr. Manjeet Kumar Dr. Thomas Simonson Dr. Gilles Ohanessian Dr. Carine Clavaguéra 《Chemphyschem》2015,16(3):658-665
The association of Mg2+ and H2PO4? in water can give insights into Mg:phosphate interactions in general, which are very widespread, but for which experimental data is surprisingly sparse. It is studied through molecular dynamics simulations (>100 ns) by using the polarizable AMOEBA force field, and the association free energy is computed for the first time. Explicit consideration of outer‐sphere and two types of inner‐sphere association provides considerable insight into the dynamics and thermodynamics of ion pairing. After careful assessment of the computational approximations, the agreement with experimental values indicates that the methodology can be extended to other inorganic and biological Mg:phosphate interactions in solution. 相似文献