Preeclampsia, hemorrhage, and infection are the leading causes of maternal death in underdeveloped countries. Since several proteins associated with preeclampsia are known, we conducted a computational study which evaluated the commonness and potential functionality of intrinsic disorder of these proteins and also made an attempt to characterize their origin. The origin of the preeclampsia-rela...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

Earlier we introduced (M.I.Trofimov, E.A.Smolenskii, Application of the Electronegativity Indices of Organic Molecules to Tasks of Chemical Informatics, Russian Chemical Bulletin 54(2005), 2235-2246. http://dx.doi.org/10.1007/s11172-006-0105-6) effective recursive algorithm for graph isomorphism testing. In this paper we describe used approach and iterative modification of this algorithm, which...

A one-step reduction and functionalization of graphene oxide (FrGO) was easily achieved using a novel phenylhydrazine-based reductant containing fluorine atoms, which can induce p-type doping due to its high electronegativity. The FrGO-based OPV exhibited a high power conversion efficiency of ∼6.71% and a superior OPV-stability to commercial PEDOT:PSS.

A typical volcano-shaped curve has been found in heterogeneous catalytic systems containing titanosilicates for the first time. A new reactive intermediate with double H-bonds is proposed. Systematic results clearly evidence another H-bond formed between the high-electronegativity atom of the H-bond acceptor and the H(end) atom of Ti-Oα-Oβ-H(end).

The critical role of the Auger parameter in providing insight into both initial state and final state factors affecting measured XPS binding energies is illustrated by analysis of Ni 2p(3/2) and L(3)M(45)M(45) peaks as well as the Auger parameters of nickel alloys, halides, oxide, hydroxide and oxy-hydroxide. Analyses of the metal and alloys are consistent with other works, showing that final s...

A methodology to determine the oxidation numbers of every atom in a chemical structure is arrived on in-silico basis. This method involves a structure markup system developed in XML, where the electron environment of every atom is encoded explicitly. The calculation of oxidation number is achieved automatically through a structure editor, ChemEd utilizing the electronegativity attributes of eve...

After discovery of fullerenes there were offered a wide variety of ways of their practical use. Nowadays a lot of patents in the field of fullerene chemistry concern use of fullerenes and nanotubes in semiconductor and nanoeletronic devices, e.g. photodiodes, transistors, sun batteries. Due to high electronegativity, fullerene C60 can easily form charge-transfer complexes in which it acts as ac...