Berg Mcfadden (hoodbuffer61)

The QC/MH methods compared include five variations of the linearized semiclassical (LSC) method and the mean-field (Ehrenfest) method. The results show that LSC-based methods are significantly more accurate than the mean-field method and can yield quantitatively accurate two-dimensional and pump-probe spectra when nuclear degrees of freedom can be treated as classical-like.Selenium nanoparticles (SeNPs) have been applied in fields of nanobiosensors, environment, nanomedicine, etc. as a result of their excellent characteristics. Early studies had shown that SeNPs have certain inhibition ability against glycation, but the inhibition mechanism, especially for the influence of SeNPs on the reaction activity of glycation sites, remains unclear. The aim of the presented research was to reveal the effects of SeNPs on the β-lactoglobulin (β-Lg)/d-ribose glycation system at the molecular level and explore the possible inhibitory mechanism of SeNPs on the formation of advanced glycation end products (AGEs) by analyzing the glycation sites via high-performance liquid chromatography (HPLC)-Orbitrap-tandem mass spectrometry (MS/MS). Changes in contents of AGE formation and free amino acid contents had indicated that SeNPs could significantly slow the glycation process, thus attenuating the formation of AGEs. HPLC-Orbitrap-MS/MS analysis revealed that, at 6, 12, and 24 h, the number of glycation sites of glycated β-Lg decreased from 7, 7, and 9 to 5, 5, and 6 after the intervention of SeNPs, respectively. The glycation extent of each glycation site was controlled, and the dual-glycation ability of K8, K14, K47, K91, and K101 was changed. All of these results confirmed that SeNPs could indeed slow the process of protein glycation at the molecular level. This may be the reason for SeNPs reducing the formation of AGEs during glycation. Therefore, this study shed light on the insight of how SeNPs reduce the formation of AGEs.Currently, many fruits are always harvested at the early ripening stage to reduce postharvest losses followed by 1-methylcyclopropene (1-MCP) or ethephon treatment. However, harvesting at the early ripening stage adversely affects fruit quality, especially for the aroma. Methyl jasmonate (MeJA) treatment could induce the biosynthesis of bioactive compounds and maintain postharvest fruit quality. In the present work, the contributions of MeJA to tomato fruit quality during postharvest ripening were studied. The results showed that MeJA treatment significantly promoted the accumulation of volatile organic components (VOCs) by inducing the activities of enzymes related to lipoxygenase pathway and ethylene biosynthesis, whereas 1-MCP treatment largely inhibited the accumulation of VOCs by inhibiting activities of those enzymes. Although the application of ethephon also induced activities of the above enzymes in comparison with control, no significant differences were observed between the VOCs contents of the control and ethephon-treated fruit. Further study revealed that the ethephon treatment resulted in the enhancement of electrical conductivity and malondialdehyde content. Conversely, MeJA treatment inhibited the superoxide anion radical and hydrogen peroxide by regulating the ascorbate-glutathione cycle and further inhibited the enhancement of electrical conductivity and malondialdehyde content, which might be one of the most important reasons why the VOCs contents in fruit treated with ethephon were lower than those in MeJA-treated fruit. Thus, it is considered that MeJA treatment may be an effective and promising strategy to regulate postharvest tomato fruit quality, especially for the aroma, by regulating the ascorbate-glutathione cycle and ethylene biosynthesis.A practical and efficient method to synthesize thiocarbamyl fluorides and isothiocyanates from amines with trifluoromethanesulfonyl chloride was developed. In the presence of the reducing agent triphenylphosphine and sodium iodide, thiocarbamyl fluorides and is