A transferable artificial neural network model for atomic forces in nanoparticles

We have designed a new method to fit the energy and atomic forces using a single artificial neural network (SANN) for any number of chemical species present in a molecular system. The traditional approach for fitting the potential energy surface (PES) for a multicomponent (MC) system using artificial neural network (ANN) is to consider n number of networks for n number of chemical species in the system. This shoots the computational cost and makes it difficult to apply to a system containing more number of species. We present a new strategy of using a SANN to compute energy and forces of a chemical system. Since, atomic forces are significant for geometry optimizations and molecular dynamics simulations (MDS) for any chemical system, their accurate prediction is of utmost importance. So, to predict the atomic forces, we have modified the traditional way of fitting forces from underlying energy expression. We have applied our strategy to study geometry optimizations and dynamics in gold-silver nanoalloys and thiol protected gold nanoclusters. Also, force fitting has made it possible to train smaller size systems and extrapolate the parameters to make accurate predictions for larger systems. This proposed strategy has definitely made the mapping and fitting of atomic forces easier and can be applied to a wide variety of molecular systems

The Bi-Compact-Open Topology on C(X)

For the set C(X) of real-valued continuous functions on a Tychonoff space X, the compact-open topology on C(X) is a "set-open topology". This paper studies the separation and countability properties of the space C(X) having the topology given by the join of the compact-open topology and an "open-set topology" called the open-point topology, that was introduced in [6].Comment: Some corrections are mad

Cohesive energy of zinc blende (AIIIBV and AIIBVI) structured solids

In this letter we present an expression relating the cohesive energy for the A3B5 and A2B6 semiconductors with the product of their ionic charges and nearest neighbor distance. The cohesive energy values of these solids exhibits a linear relationship when plotted on a log-log scale against the nearest neighbor distance, but fall on different straight lines according to the ionic charge product of the solids. A good agreement has been found between the experimental and calculated values of the cohesive energy for A3B5 and A2B6 semiconductors.Comment: 7 pages, 21 reference

Inherent properties of binary tetrahedral semiconductors

A new approach utilising the concept of ionic charge theory has been used to explain the inherent properties such as lattice thermal conductivity and bulk modulus of 3,5 and 2,6 semiconductors. The lattice thermal conductivity of these semiconductors exhibit a linear relationship when plotted on a log scale against the nearest neighbour distance but fall on two straight lines according to the product of the ionic charge of the compounds. On the basis of this result a simple relationship of lattice thermal conductivity with bulk modulus is proposed and used to estimate the bulk modulus of these semiconductors. A fairly good agreement has been found between the experimantal and calculated values of these parameters for zinc blende structured solids.Comment: 6 pages, 19 reference

Comment: Kidney exchange to overcome financial barriers to kidney transplantation

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Oral myiasis in a cerebral palsy patient: a case report

Myiasis is a rare condition caused by the invasion of tissues by the larvae of flies, mainly from the order of Diptera. Many cases of myiasis involving various human organs have been reported. Oral Myiasis is very rare in healthy persons. It occurs mainly in the tropics and is usually associated with inadequate personal and public hygiene; sometimes accompanied by poor manual dexterity. We present a case of oral myiasis in a mentally retarded, 13- year-old boy suffering with cerebral palsy. The diagnosis was based on the characteristic clinical features and the visualization of wriggling larvae. Large numbers of larvae were found in the gingival sulcus. Treatment consisted of manual removal of the larvae, one by one, with the help of turpentine oil and clinical forceps, local debridement of the labial gingival and oral hygiene practice. Healing was uneventful, with resolution of the condition

Physiological and biochemical response to higher temperature stress in hot pepper (Capsicum annuum L.)

The present study was conducted to evaluate the physiological and biochemical changes in some thermotolerant and thermosensitive chilli (Capsicum annuum L.) genotypes. Fourteen chilli genotypes (SL 461, PP 404, DL 161, MS 341, VR 521, PB 405, PS 403, SD 463, FL 201, AC 102, S 343, SL 462 and SL 464 along with sensitive check [Royal Wonder of bell pepper] were evaluated for heat tolerance. The observations on morpho-physiological and biochemical parameters were recorded at 45, 65, 85 and 105 days after transplanting (DAT) (high temperature period). On the basis of our studies, genotypes S 343, AC 102 and FL 201 were found to be relatively thermotolerant. However, high temperature markedly decreased the photosynthetic activity of chilli plants by decreasing the photosynthetic pigments in leaf chloroplasts of all the genotypes. The levels of ascorbic acid, total soluble sugars and total phenols increased in the leaves of all the genotypes with the maturity of the crop. Electrolyte leakage and proline content also increased with rise in temperature. Genotypes AC 102 and S 343 were able to accumulate the maximum ascorbic acid, proline, total soluble sugars and total phenols under heat stress conditions. Decrease in fruit set percent led to reduction in the total yield per plant. Maximum yield was observed in genotype S 343 followed by FL 201