The molecular orbital calculations have been carried out to investigate the structure and stability of (E) / (Z) isomers of some azobenzene derivatives containing maleimide groups. A special attention has been devoted to the compound (E)-1, (E)-1-(4-(phenyldiazenyl)phenyl)-1H-pyrrole-2,5-dione, for which the available crystallographic experimental data have been used to validate the modeling st...

Recently Nikolić, Trinajstić and Randić put forward a novel modification W(G) of the Wiener number W(G), called modified Wiener index , which definition was generalized later by Gutman and the present authors. Here we study another class of modified indices defined as Wmin,λ(G)=∑(V(G) mG(u,ν) −mG(u,ν) ) and show that some of the important properties of W(G), W(G) and W(G) are also properties of...

Agriculture faces the unprecedented task of feeding a world population of 9 billion people by 2050 while simultaneously avoiding harmful environmental and social effects. One effort to meet this challenge has been organic farming, with outcomes that are generally positive. However, a number of challenges remain. Organic yields lag behind those in conventional agriculture, and greenhouse gas emi...

Changes in producer diversity cause multiple changes in consumer communities through various mechanisms. However, past analyses investigating the relationship between plant diversity and arthropod consumers focused only on few aspects of arthropod diversity, e.g. species richness and abundance. Yet, shifts in understudied facets of arthropod diversity like relative abundances or species dominan...

Chemical graphs, as other ones, are regular if all their vertices have the same degree. Otherwise, they are irregular, and it is of interest to measure their irregularity both for descriptive purposes and for QSAR/QSPR studies. Three indices have been proposed in the literature for that purpose: those of Collatz-Sinogowitz, of Albertson, and of Bell's variance of degrees. We study their propert...

INTRODUCTION The prediction of plasma protein binding (ppb) is of paramount importance in the pharmacokinetics characterization of drugs, as it causes significant changes in volume of distribution, clearance and drug half life. This study utilized Quantitative Structure - Activity Relationships (QSAR) for the prediction of plasma protein binding. METHODS Protein binding values for 794 compoun...

This paper proposes a ternary relation extraction method primarily based on rich syntactic information. We identify PROTEIN-ORGANISM-LOCATION relations in the text of biomedical articles. Different kernel functions are used with an SVM learner to integrate two sources of information from syntactic parse trees: (i) a large number of syntactic features that have been shown useful for Semantic Rol...

THE RELATIONSHIP BETWEEN THE SOURCE OF PROTEIN INTAKE AND OBESITY RISK IN CHILDREN by Grace Stuhrman Background: Previous research has reported a relationship between high protein intake (>15% of energy) during early childhood and an increased risk of obesity later in life. However, few studies have investigated this relationship during middle childhood to early adolescence or examined the effe...

An assessment of roles of rhizospheric microbial diversity in plant growth is helpful in understanding plant-microbe interactions. Using random combinations of rhizospheric bacterial species at different richness levels, we analysed the contribution of species richness, compositions, interactions and identity on soil microbial respiration and plant biomass. We showed that bacterial inoculation ...