Have Mohammad (saladclock12)

Experimental results are complemented by density functional theory calculations to show how a series of nitrogen-based ligands modulate the (L)PdII(OAc)2 reduction potential, thereby tuning the ability of PdII to serve as an effective oxidant of organic molecules in catalytic reactions.The H/D isotope effect in the CH···O interactions of several systems is systematically analyzed to determine whether it exerts control over reaction selectivity. Our theoretical study demonstrates that deuterium substitution has a negligible effect on CH···O interactions; thus, reaction selectivity likely cannot be controlled by the H/D isotope effect in these CH···O interactions.Archetypal donor-acceptor (D-A) interfaces composed of perfluoropentacene (PFP) and pentacene (PEN) are examined for charge transfer (CT) state formation and energetics as a function of their respective molecular configuration. To exclude morphological interference, our structural as well as highly sensitive differential reflectance spectroscopy studies were carried out on PFP thin films epitaxially grown on PEN(001) single-crystal facets. Whereas the experimental data supported by complementary theoretical calculations confirm the formation of a strong CT state in the case of a cofacial PFP-PEN stacking, CT formation is energetically less favorable and thus absent for the corresponding head-to-tail configuration as disclosed for the first time. In view of technological implementations, the knowledge gained on the single-crystal references is transferred to thin-film diodes composed of either stacked PFP/PEN bilayers or mixed PFPPEN heterojunction interfaces. As demonstrated, selleck and electroluminescent behavior can be consistently described by the absence or presence of interfacial CT states. Thus, our results hint at the thorough design of D-A interfaces to achieve the highest device performances.Nowadays, microbially induced calcium carbonate precipitation (MICP) has received great attention for its potential in construction and geotechnical applications. This technique has been used in biocementation of sand, consolidation of soil, production of self-healing concrete or mortar, and removal of heavy metal ions from water. The products of MICP often have enhanced strength, durability, and self-healing ability. Utilization of the MICP technique can also increase sustainability, especially in the construction industry where a huge portion of the materials used is not sustainable. The presence of bacteria is essential for MICP to occur. Bacteria promote the conversion of suitable compounds into carbonate ions, change the microenvironment to favor precipitation of calcium carbonate, and act as precipitation sites for calcium carbonate crystals. Many bacteria have been discovered and tested for MICP potential. This paper reviews the bacteria used for MICP in some of the most recent studies. Bacteria that can cause MICP include ureolytic bacteria, non-ureolytic bacteria, cyanobacteria, nitrate reducing bacteria, and sulfate reducing bacteria. The most studied bacterium for MICP over the years is Sporosarcina pasteurii. Other bacteria from Bacillus species are also frequently investigated. Several factors that affect MICP performance are bacterial strain, bacterial concentration, nutrient concentration, calcium source concentration, addition of other substances, and methods to distribute bacteria. #link# Several suggestions for future studies such as CO2 sequestration through MICP, cost reduction by using plant or animal wastes as media, and genetic modification of bacteria to enhance MICP have been put forward.Nicotine dependence is one of the main reasons for the continuation of smoking among adolescents. Loss of autonomy (LOA) is a measure of dependence. This study is the first to investigate LOA and its determinants among Greek adolescents. In 2013, 13-to-15-year-old middle-school students were selected by multi-stage clustered sampling. LOA was evaluated with the