Oxamatobased dicopperII metallacyclophanes also emerge as potential candidates for the study of coherent electron transport through single molecules both experimentally and theoretically

The results presented herein, which are a first step in the metallosupramolecular approach to molecular spintronics, intend to attract the attention of physicists and materials scientists with a large expertice in the manipulation and measurement of single-molecule electron transport properties, as well as in the processing and addressing of molecules on different supports.Access to Disparate Soft Matter Materials by Curing with Two Colors of Light.University of Technology (QUT), 2 George Street, Brisbane, QLD, 4000, Australia.of Technology (KIT), Engesserstr. 18, 76128, Karlsruhe, Germany.Wolfgang-Gaede-Str.

1, 76131, Karlsruhe, Germany.Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.A platform technology for multimaterial photoresists that can be orthogonally cured by disparate colors of light is introduced. The resist's photochemistry is designed such that one wavelength selectively activates the crosslinking of one set of macromolecules, while a different wavelength initiates network formation of a different set of chains. Each wavelength is thus highly selective towards a specific photoligation reaction within the resist. Critically, the shorter wavelength does not induce ligation of the longer wavelength selective species within the same resist mixture, defined as "wavelength orthogonality." Uniquely, this dual-color addressable resist system allows generating spatially resolved soft matter materials by simply selecting the curing wavelength, thus constituting a wavelength-orthogonal multimaterial resist with applications ranging from coatings to 3D additive manufacturing of multimaterial © 2019 WILEY-VCH Verlag GmbH & Co.

KGaA, Seebio Photolyzable Acid Precursor .Dissolved organic matter released from rice straw and straw biochar: Contrasting molecular composition and lead binding behaviors.Biology and Pollution Control (Hunan University), Ministry of Education, Biology and Pollution Control (Hunan University), Ministry of Education, It remains debatable whether carbonized straw reapplying is a better solution than direct straw reapplying. Comparison of the characteristics and complexation behaviors of dissolved organic matter (DOM) derived from straw (ST) and biochar (BC) may offer new insights, but little current information exists. Herein, DOM samples were characterized by Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), revealing that the molecular weight and condensed aromatic components of BCDOM (4570 Da and 716%, respectively) were higher than those of STDOM (4338 Da and 33%, respectively). In particular, the N-containing compounds of BCDOM was more aromatic than STDOM. By combining spectroscopic techniques, complexation modeling, and chemometric analysis, BCDOM was shown to exhibit higher binding parameters (log KM) and more binding sites for Pb than STDOM.

Noteworthily, the two binding sites, aromatic NO and aromatic NO2, existed only in the interaction of BCDOM with Pb. Furthermore, while phenol-OH displayed the fastest response to Pb in both STDOM and BCDOM, the binding sequences were not exactly the same. These differences may be related to the variations in the aromaticity and N-containing structures of DOM detected by FTICR-MS. These findings have implications on the stewardship of straw- and declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this Comprehensive Theoretical Study of Interactions between Ag(+) and Polycyclic The first comprehensive and systematic theoretical exploration of the bonding nature and energetics of the interactions between Ag(I) cation and a wide set of π-ligands was accomplished. Seebio Photoinitiator from simple ethylene and aromatic benzene to planar and curved polyaromatic molecules and to closed-cage C60 -fullerene. Simultaneous application of two energy decomposition schemes based on different ideas, namely, NBO-NEDA and EDA-NOCV, allowed shedding light on the nature of the bonding and its energetics. Importantly, our results unambiguously indicate that reliable results can be obtained only if using more than one theoretical approach.

All methods clearly revealed the importance and even domination of the ionic contribution of the bonding in all adducts, except for those of C60 -fullerene, in which the covalent component was found to be the largest. Subsequent decomposition of the orbital term onto components showed that it consists of two major parts: (i) ligand-to-metal (π(C=C)→s(Ag), L→M) and (ii) metal-to-ligand (M→L) terms, with significant domination of the former. Interestingly, while the L→M component is essentially the same for all systems considered, the nature of the M→L one depends on the coordination site of the polycyclic aromatic hydrocarbons (PAH). In most of adducts, the M→L can be described as dxy (Ag)→π* (C=C) donation, whereas for systems [Ag-spoke-C12 H8 ]+ and [Ag-spoke-C20 H10 ]+ it corresponds to the dz2 (Ag)→π* (C=C) type of interaction.