Time filter

Source Type

Huanghe, China

Liaoning Normal University is a teacher training university in Dalian, Liaoning Province, China under the provincial government. Established in 1951 the university is primarily responsible for educating teachers to teach in high schools around the province, though non-teacher training courses are offered. Wikipedia.

The microscopic mechanisms of ion hydration and ion selectivity in biomolecular systems are long-standing research topics, in which the difficulty is how to reasonably and accurately describe the ion-water and ion-biomolecule interactions. This paper summarizes the development and applications of the atom-bond electronegativity equalization fluctuating charge force field model, ABEEM/MM, in the investigations of ion hydration, metalloproteins and ion-DNA bases systems. Based on high-level quantum chemistry calculations, the parameters were optimized and the molecular potential functions were constructed and applied to studies of structures, activities, energetics, and thermodynamic and kinetic properties of these ion-containing systems. The results show that the performance of ABEEM/MM is generally better than that of the common force fields, and its accuracy can reach or approach that of the high-level ab initio MP2 method. These studies provide a solid basis for further investigations of ion selectivity in biomolecular systems, the structures and properties of metalloproteins and other related ion-containing systems. © 2012 Science China Press and Springer-Verlag Berlin Heidelberg. Source

Xie J.-J.,CAS Lanzhou Institute of Modern Physics | Xie J.-J.,CAS Institute of Theoretical Physics | Dai L.-R.,Liaoning Normal University | Oset E.,CAS Lanzhou Institute of Modern Physics | Oset E.,University of Valencia
Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics

The D0 decay into Ks0 and a scalar resonance, f0(500), f0(980), a0(980), are studied obtaining the scalar resonances from final state interaction of a pair of mesons produced in a first step in the D0 decay into Ks0 and the pair of pseudoscalar mesons. This weak decay is very appropriate for this kind of study because it allows to produce the three resonances in the same decay in a process that is Cabibbo-allowed, hence the rates obtained are large compared to those of B-0 decays into J/ψ and a scalar meson that have at least one Cabibbo-suppressed vertex. Concretely the a0(980) production is Cabibbo-allowed here, while it cannot be seen in the B-s0 decay into J/ψa0(980) and is doubly Cabibbo-suppressed in the B-0 decay into J/ψa0(980) and has not been identified there. The fact that the three resonances can be seen in the same reaction, because there is no isospin conservation in the weak decays, offers a unique opportunity to test the ideas of the chiral unitary approach where these resonances are produced from the interaction of pairs of pseudoscalar mesons. © 2015 The Authors. Source

Alternating deposition of oppositely charged polyelectrolyte complexes (PECs) on inorganic-organic composite membranes can efficiently overcome the drawback of microcracks induced by inorganic particles. Different bilayers of Poly (diallyldimethylammonium, chloride)/sulfonated poly(ether ether ketone) (PDDA/SPEEK) were first deposited on the charged silicon composite with hydrolyzed polyacrylonitrile (PAN-H) support and evaluated for solvent resistant nanofiltration membranes (SRNF) application. The morphology of the membranes was studied in detail via SEM and AFM. Because of Donnan exclusion, the multilayered PEC silicon composite membranes showed very high retentions up to 99% for negatively charged solutes (Rose Bengal (RB), 1017 Da) in the pressure driven filtration of isopropanol (IPA) solutions. For the first time, PEC-based silicon composite membranes were also applied in the filtration of organic solvents, where they were found to combine a remarkable stability in polar solvents with high fluxes and retentions. Compared with silicon composite membranes, the introduction of multilayered PDDA/SPEEK can efficiently improve the membrane performance and overcome the drawback induced by inorganic fillers. PEC-based silicon composite membranes thus show excellent prospective use in SRNF. Copyright © 2013 Wiley Periodicals, Inc. Source

Chen D.,Liaoning Normal University | Li X.,CAS Dalian Institute of Chemical Physics
Journal of Power Sources

Sulfonated poly(ether ether ketone) (C-SPEEK) membranes with pendent carboxylic acid groups are prepared and first investigated for vanadium flow battery (VFB) application. The introduction of carboxylic acid groups can effectively improve the ion conductivities of C-SPEEK membranes, while, keep their ion selectivities. The prepared C-SPEEK membranes exhibit excellent performance under VFB operating condition. VFB single cell assembled with C-SPEEK-50 membranes shows much higher energy efficiency (85% Vs 82%) and columbic efficiency (97.3% Vs 94.6%) than that assembled with Nafion 115. The membrane keeps a stable performance after more than 180 cycles charge-discharge test, showing good stability. © 2013 Elsevier B.V. All rights reserved. Source

Gong L.I.-D.,Liaoning Normal University | Yang Z.-Z.,Liaoning Normal University
Journal of Computational Chemistry

Based on the molecular face (MF) theory, the molecular face surface area (MFSA) and molecular face volume (MFV) are defined. For a variety of organic molecules and several inorganic molecules, the MFSA and MFV have been studied and calculated in terms of an algorithm of our own via the Matlab package. The MFV shows a very good linear relationship with the experimentally measured critical molar volume. It is also found that the MFSA and MFV have significant linear correlations with those of the commonly used hard-sphere model and the electron density isosurface. © 2010 Wiley Periodicals, Inc. Source

Discover hidden collaborations