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Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
(Amer Chemical Soc, 2013)
Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calix[6]arene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ...
Drying of polyacrylamide-multiwalled carbon nanotube (MWNT) composites with various MWNTs contents: a fluorescence study
(Walter De Gruyter Gmbh, 2013)
We studied the drying of polyacrylamide (PAAm)-multiwalled carbon nanotube (MWNT) composites prepared by free radical crosslinking copolymerization in water with a steady state fluorescence technique. Composite gels were ...
Crossover from Vibrational to Rotational Collectivity in Heavy Nuclei in the Shell-Model Monte Carlo Approach
(Amer Physical Soc., 2013)
Heavy nuclei exhibit a crossover from vibrational to rotational collectivity as the number of neutrons or protons increases from shell closure towards midshell but the microscopic description of this crossover has been a ...
Generalized Einstein tensor for a Weyl manifold and its applications
(Springer Heidelberg, 2013)
It is well known that the Einstein tensor G for a Riemannian manifold defined by R (alpha) (beta) = g (beta gamma) R (gamma I +/-) where R (gamma I +/-) and R are respectively the Ricci tensor and the scalar curvature of ...
Continuous dependence on data for a solution of the quasilinear parabolic equation with a periodic boundary condition
(Springer International Publishing Ag, 2013)
In this paper we consider a parabolic equation with a periodic boundary condition and we prove the stability of a solution on the data. We give a numerical example for the stability of the solution on the data.
A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
(Public Library Science, 2015)
Irreversible inactivation of human acetylcholinesterase (hAChE) by organophosphorous pesticides (OPs) and chemical weapon agents (CWA) has severe morbidity and mortality consequences. We present data from quantum ...
Bayesian and Graph Theory Approaches to Develop Strategic Early Warning Systems for the Milk Market
(Springer-Verlag Berlin, 2015)
This paper presents frameworks for developing a Strategic Early Warning System allowing the estimatation of the future state of the milk market. Thus this research is in line with the recent call from the EU commission for ...
Accelerating Brain Simulations on Graphical Processing Units
(IEEE, 2015)
NEural Simulation Tool(NEST) is a large scale spiking neuronal network simulator of the brain. In this work we present a CUDA(R) implementation of NEST. We were able to gain a speedup of factor 20 for the computational ...
Channel Estimation for Spatial Modulation Orthogonal Frequency Division Multiplexing Systems
(IEEE, 2015)
A combination of spatial modulation and orthogonal frequency division multiplexing (SM-OFDM) has been recently proposed for multicarrier systems while assuming the perfect channel state information (P-CSI) available at the ...
Mobile Devices and Flipped Classrooms in Higher Education: An Impact Analysis on the Educational Landscape in a Turkish University
(IEEE, 2015)
Mobile technologies can be used to enhance learning experiences of students in different ways supporting the CILP the creative and innovative learning process. In this study was analyzed how the combination of the flipped ...