in this study, the role of interaction of pi electrons on the strength of simultaneous σ-hole interactions (pnicogen, chalcogen and halogen bonds) is investigated using the quantum chemical calculations. x-ben||taz∙∙∙y1,y2,y3 complexes (x = cn, f, cl, br, ch3 , oh and nh2, taz= s-triazine and y1,y2 and y3 denotes ph2f, hsf, and clf molecules) is introduced as a model. the results show that inte...

The Kirchoff Matrix Tree Theorem states that the number of spanning trees in a graph G is equal to the absolute value of any cofactor of the Laplacian matrix of G. As the theory of simplicial complexes is a generalization of the theory of graphs one would suspect that there is a generalization of the notion of spanning trees to simplicial complexes, such that the number of spanning trees in a g...

The corrosion inhibition performance of acetylacetonate complexes of zinc(II), manganese(II), cobalt(II) and copper(II) on the mild steel substrate in 1M H3PO4 was studied using DC polarization. It was seen that the mentioned complexes decreased corrosion rate of mild steel in phosphoric acid media due to the adsorption on metal surface. The potential of mild steel shifted toward more active po...

Abstract. We generalize the definition and enumeration of spanning trees from the setting of graphs to that of arbitrary-dimensional simplicial complexes ∆, extending an idea due to G. Kalai. We prove a simplicial version of the Matrix-Tree Theorem that counts simplicial spanning trees, weighted by the squares of the orders of their top-dimensional integral homology groups, in terms of the Lapl...

Understanding how individual proteins are organized into complexes and pathways is a significant current challenge. We introduce new algorithms to infer protein complexes by combining seed proteins with a confidenceweighted network. Two new stochastic methods use averaging over a probabilistic ensemble of networks, and the new deterministic method provides a deterministic ranking of prospective...

Sulfur dioxide (SO2) is a major air pollutant, especially in developing countries. Many trees are seriously impaired by SO2, while other species can mitigate air pollution by absorbing this gas. Planting appropriate tree species near industrial complexes is critical for aesthetic value and pollution mitigation. In this study, six landscape tree species typical of a subtropical area were investi...

Chemists are well trained in perceiving 2D molecular sketches. On the side of computer assistance, the automated generation of such sketches becomes very difficult when it comes to multi-molecular arrangements such as protein-ligand complexes in a drug design context. Existing solutions to date suffer from drawbacks such as missing important interaction types, inappropriate levels of abstractio...

This paper compares two different approaches to computer-aided analysis of ECG signals. ECG records are preprocessed by the wavelet transform, and the machine learning method of decision trees and fuzzy rules induction are used for classification. The wavelet transform allows good localisation of QRS complexes, P and T waves in time and amplitude. The average accuracy of detection of all events...

threats are one of the most fundamental problems of our modern societies that daily will affect citizens in urban spaces. this becomes more problematic when the people in their everyday living spaces encounter with behaviors that cause lack of security and should have been feel comfort and their families used these spaces freely. this causes many problems for citizens. in today cities because o...

in depth interaction studies between calf thymus deoxyribonucleic acid (ct-dna) and a series of four structurally relative palladium(ii) complexes [pd(en)(hb)](no3)2 (a-d), where en is ethylenediamine and heterocyclic base (hb) is 2,2'-bipyridine (bpy, a); 1,10-phenanthroline (phen, b); dipyridoquinoxaline (dpq, c) and dipyridophenazine (dppz, d) (figure 1), were performed. these studies h...