Advances in the computational analysis of SARS-COV2 genome

Nonlinear Dynamics - Given a data-set of Ribonucleic acid (RNA) sequences we can infer the phylogenetics of the samples and tackle the information for scientific purposes. Based on current data and...     

Conversion of Methanol to Aromatic-Rich Gasoline over High-Efficiency Bifunctional Catalysts: Green Synthesis of GaZSM-5 Zeolites via Dry-Gel Conversion Strategy

Russian Journal of Applied Chemistry - Nanoscale ZSM-5 (AlZ5-D) and Ga-substituted ZSM-5 zeolites ((Al,Ga)Z5-D and GaZ5-D) were synthesized by a green dry-gel conversion strategy. For comparison,...     

Surface Modification of Cu-SSZ-13 with CeO2 to Improve the Catalytic Performance for the Selective Catalytic Reduction of NO with NH3

Kinetics and Catalysis - A series of Cu-SSZ-13@CeO2 catalysts with surface modification with CeO2 was prepared by the modified self-resemble method based on the one-pot synthesized Cu-SSZ-13...     

Estimation of multivariate binary density using orthogonal functions

In this paper, the authors studied certain properties of the estimate of Liang and Krishnaiah (1985, J. Multivariate Anal. 16, 162–172) for multivariate binary density. An alternative shrinkage estimate is also obtained. The above results are generalized to general orthonormal systems.     

VIBRATION OF TWISTED AND CURVED CYLINDRICAL PANELS WITH VARIABLE THICKNESS

A numerical procedure, with an exact strain-displacement relationship of twisted and curved cylindrical panels having variable thickness derived by considering the Green strain tensor on general shell theory, is presented using the principle of virtual work and the Rayleigh-Ritz method with algebraic polynomials as in-plane and transverse displacement functions. The accuracy and applicability of the procedure are verified by comparing the present results with previous experimental and theoretical results for several panels. The effects of variation ratio of thickness in chordwise and lengthwise directions, twist, and curvature both in two directions aforementioned on vibrations of cylindrical panels are studied in detail, and typical vibration mode shapes are plotted to demonstrate the effects.     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Molecular dynamics simulation of processing using AFM pin tool

A three-dimensional molecular dynamics (MD) model is utilized to investigate the effect of tool geometry on the deformation process of the workpiece and the nature of deformation process at the atomic-scale. Results show that different states exist between the atomic force microscope (AFM) pin tool and the workpiece surface, i.e. the non-wear state, the ploughing state, the state in which ploughing is dominant and the state in which cutting plays a key role. A relationship between the deformation process of the workpiece and the potential energy variation is presented. The potential energy variation of atoms in different deformed regions in the workpiece such as plastically deformed region, elastically deformed region and the mixed deformation region is different. The features of variations of potential energy are discussed.     

Canonical Modules of Semigroup Rings and a Conjecture of Reiner

We prove that the homotopy types of two naturally defined simplicial complexes are related in the following way: one is homotopy equivalent to a multiple suspension of the canonical Alexander dual of the other. These simplicial complexes arise in free resolutions of semigroup rings and modules. The relation between their homotopy types was conjectured by Reiner, and was suggested by a homological consequence of a result due independently to Danilov and Stanley on canonical modules of normal semigroup rings. Our proof is purely topological, and gives an alternative proof of their result. We also prove a generalization of a result of Hochster saying that these rings are Cohen—Macaulay, and indicate a new proof of Ehrhart's reciprocity law for rational polytopes. Received October 3, 2000, and in revised form April 2, 2001, and May 10, 2001. Online publication November 7, 2001.     

Laser induced copper electroless plating on polyimide with Q-switch Nd:YAG laser

The results of laser induced deposition of copper on polyimide substrate from copper electrolyte solution are reported. Unlike most work reported in the literatures where CW Ar⁺ lasers were used, a second harmonic (532 nm wavelength) Q-switch Nd:YAG laser was used for our experiments. The deposition process was conducted by laser-catalyzing of the polyimide surface and subsequent photothermal-accelerated reduction of copper-complex ions in an alkaline reducing environment. The characteristics of the deposited copper line were investigated in terms of laser beam scanning speed, and the number of scans. The surface morphology and chemical composition of the deposited copper were analyzed using field emission scanning electron microscope (FESEM) and energy dispersive spectrometer (EDX). The optimum processing conditions have been identified. The copper deposit was found to adhere well to the substrate.