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101.
Moses Salci Evgeny Yarevsky Sergey B. Levin Nils Elander 《International journal of quantum chemistry》2007,107(2):464-468
A three‐dimensional finite element method is applied to the ground states of the symmetric and asymmetric atomic helium trimers 4He3 and 4He2–3He. Three different He–He interaction potentials of hard‐core nature were studied. Two extrapolation procedures based on the convergence properties of the finite element method are investigated. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
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Meena Kumari Upendra Kumar Singh Abbul Bashar Khan Maqsood Ahmad Malik 《Journal of Dispersion Science and Technology》2018,39(10):1462-1468
The effect of bovine serum albumin on the surface properties of IL-type gemini surfactant ([C10-4-C10im]Br2), have been investigated by surface tension method. The critical micelle concentration (CMC) as a function of BSA concentrations at various temperatures was investigated. The CMC of [C10-4-C10im]Br2 increases with increasing the concentration of BSA as well as the temperature of the system. The interfacial parameters viz; maximum surface excess concentration (Γmax), the minimum area per molecule (Amin), and surface pressure at CMC (Πcmc) were calculated. In addition, thermodynamic parameters of adsorption and micellization were evaluated by using surface tension data. The results indicated that the binding of [C10-4-C10im]Br2 to BSA is spontaneous and exothermic in nature. The process is entropy driven and hydrophobic interactions are the major driving forces. 相似文献
106.
《Mendeleev Communications》2021,31(5):624-627
Heterometallic Coii-Lii compounds with N-heterocyclic carbene 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes), tri phenylphosphine (Ph3P) and pyridine (py), [Co2Li2(Piv)6(IMes)2] (Piv is the anion of pivalic acid), [Co2Li2(Piv)6(Ph3P)2] and [Co2Li2(Fur)6(py)2] (Fur is the anion of 2-furoic acid), respectively, have been prepared and structurally characterized by X-ray crystallography. Easy-plane magnetic anisotropy in Coii complexes with pseudo-tetrahedral cores CoO3X (X = C, P and N) was revealed by measuring the magnetic properties together with quantum-chemical calculations using the SA-CASSCF/NEVPT2 approach. The field-induced slow magnetic relaxation of the complexes was mainly attributed to the Raman and direct processes. 相似文献
107.
Dinuclear ytterbium and erbium based bifunction complexes Ln2L2(depma2)Cl2 (1-Ln, Ln = Yb and Er, H2L = N1,N3-bis(salicylideneimino)diethylenetriamine, depma2 = dimerized 9-diethyl-phosphonomethylanthracene) are reported. They undergo thermo-induced consecutive phase transitions, first the dissociation of depma2 ligand forming LnL(depma)Cl (2-Ln) and then the release of chloroethane forming LnL(epma) (3-Ln, epma = 9-ethylphosphonomethylanthrancene). The structural transformations are accompanied with synergetic switch of the luminescence in visible and NIR regions and also magnetic dynamics. 相似文献
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Dr. Ruisong Tian Dr. Chao Wang Dr. Weijie Chi Prof. Dr. Jiangli Fan Prof. Dr. Jianjun Du Dr. Saran Long Prof. Dr. Lianying Guo Prof. Dr. Xiaogang Liu Prof. Dr. Xiaojun Peng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(67):16707-16715
Upconversion luminescent (UCL) triggered photodynamic therapy (PDT) affords superior outcome for cancer treatment. However, conventional UCL materials which all work by a multiphoton absorption (MPA) process inevitably need extremely high power density far over the maximum permissible exposure (MPE) to laser. Here, a one-photon absorption molecular upconversion sensitizer Cy5.5-Br based on frequency upconversion luminescent (FUCL) is designed for PDT. The unusual super heavy atom effect (SHAE) in Cy5.5-Br strongly enhances its spin-orbit coupling (0.23 cm−1), triplet quantum yield (11.1 %) and triplet state lifetime (18.8 μs) while the potential hot-band absorption of Cy5.5-Br is well maintained. Importantly, Cy5.5-Br can efficiently target the tumour site and kill cancer cells by destroying mitochondria under a biosafety MPE to 808 nm laser. The photostability and antitumor results are obviously superior to that of a Stokes process. This work provides a design criterion for FUCL dyes to realize effective PDT upon a biosafety optical density, possibly bringing more clinical benefits than conventional MPA materials. 相似文献
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Polymer brushes have been widely used as functional surface coatings for broad applications including antifouling, energy storage, and lubrications. Understanding the molecule dynamics at polymer brush interfaces is important in unraveling the structure–property relationships in these materials and establishing a new materials design paradigm of novel functional polymer thin films with efficient interfacial transport. By applying modern fluorescence‐based single‐molecule spectroscopic and microscopic techniques, molecule dynamics at varied polymer brush interfaces have been experimentally investigated in recent years. New insights are given to the understandings of some unique and unusual materials properties of polymer brush thin films. This review summarizes some recent studies of molecular diffusion at polymer brush interfaces, highlights some new understandings of the interfacial properties of polymer brushes, and discusses future research opportunities in this field. © 2013 Wiley Periodicals, Inc. J. Polym. Sci. Part B: Polym. Phys. 2014 , 52, 85–103 相似文献