We examine the bonding possibilities of the bis(phenalenyl) MP(2) sandwich complexes of the divalent metals M = Be, Mg, Ca, Sr, Ba, Zn, Cd, and Hg, at the B3LYP level of theory. The outcome is an extraordinarily diverse class of low symmetry bis(phenalenyl)metal complexes in which bonding preferences and binding enthalpies differ dramatically. The lowest energy group 2 metal MP(2) complexes inc...

Alcohol use and abuse profoundly influences a variety of behaviors, including social interactions. In some cases, it erodes social relationships; in others, it facilitates sociality. Here, we show that voluntary alcohol consumption can inhibit male partner preference (PP) formation (a laboratory proxy for pair bonding) in socially monogamous prairie voles (Microtus ochrogaster). Conversely, fem...

Hydrogen bonding is one of the most important non-covalent interactions in both biological (DNA, peptides, saccharides etc.) and artificial systems (various soft materials, host-guest architectures, molecular networks, etc.). Carboxylic acids are some of the most simple yet powerful hydrogen-bonding building blocks, that possess a particularly rich supramolecular chemistry. This tutorial review...

A new tool to elucidate chemical bonding in bulk solids, surfaces and nanostructures has been developed. Solid State Adaptive Natural Density Partitioning (SSAdNDP) is a method to interpret chemical bonding in terms of classical lone pairs and two-center bonds, as well as multi-center delocalized bonds. Here we extend the domain of AdNDP to bulk materials and interfaces, yielding SSAdNDP. We de...

We report here on the results of experiments concerning particular bonding processes potentially useful for ultimate miniaturization of microfluidic systems. Direct anodic bonding of continuous thin Pyrex glass of 250 pm thickness to silicon substrates gives multiple, large voids in the glass. Etchback of thick glass of 1200 pm thickness bonded to silicon substrates gives thin continuous glass ...

Hydrogen bonding is a key contributor to the specificity of intramolecular and intermolecular interactions in biological systems. Here, we develop an orientation-dependent hydrogen bonding potential based on the geometric characteristics of hydrogen bonds in high-resolution protein crystal structures, and evaluate it using four tests related to the prediction and design of protein structures an...

The bonding ability of bonding agents and composites from three manufacturers, which have both chemically and visible light activated systems, were evaluated by measuring the contraction gap width between the material and the cavity wall in a dentin cavity. The visible light cured composites were inferior to the same manufacturer's chemically cured composites in marginal adaptation to a cylindr...

First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...

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The effect of the cavosurface angle of dentin cavities prepared in extracted human molars on the cavity adaptation of a resin composite was evaluated by measuring the gap width between the resin composite and the dentin cavity wall. Cavities with cavosurface angles of 90 degrees, 120 degrees, 135 degrees, or 150 degrees were pretreated with one of two commercial dentin bonding systems or an exp...