The photophysics of a 3-hydroxychromone dye, 2-(2-furyl)-3-hydroxychromone (FHC) was explored in different types of protic solvents by steady-state and time-resolved fluorescence spectroscopy. FHC exhibits a dual emission, attributable to the excited normal (N*) and tautomer (T*) forms resulting from an excited state intramolecular proton transfer (ESIPT) reaction (N*-->T*). The ESIPT rate decr...

In this paper, we describe studies on the cyclopropanation of Michael acceptors with chiral sulfur ylides. It had previously been found that semi-stabilized sulfonium ylides (e.g., Ph-stabilized) reacted with cyclic and acyclic enones and substituted acrylates with high ee and that stabilized sulfonium ylides (e.g., ester-stabilized) reacted with cyclic enones again with high ee. The current st...

We present an extension of the polarizable quantum mechanical (QM)/AMOEBA approach to enhanced sampling techniques. This is achieved by connecting PLUMED library machinery based on interface Gaussian and Tinker perform QM/AMOEBA molecular dynamics. As application, we study excited state intramolecular proton transfer 3-hydroxyflavone in two solvents: methanol methylcyclohexane. By using a combi...

The conformations of protonated RA15K, RA20K and RA15H (R = arginine, A = alanine, K = lysine, and H = histidine) have been examined in the gas phase as a function of temperature. These peptides were designed so that intramolecular proton transfer will trigger conformational changes between a helix (proton sequestered at the C-terminus) and globule (proton sequestered at the N-terminus). Kineti...

One key role of many cellular membranes is to hold a transmembrane electrochemical ion gradient that stores free energy, which is used, for example, to generate ATP or to drive transmembrane transport processes. In mitochondria and many bacteria, the gradient is maintained by proton-transport proteins that are part of the respiratory (electron-transport) chain. Even though our understanding of ...

In this paper, the bifurcation criteria for inductive power transfer (IPT) systems is suggested considering the inductive power pad losses. The bifurcation criteria for series-series (SS) and series-parallel (SP) topologies are derived in terms of the main parameters of the IPT system. For deriving precise criteria, power pad resistance is obtained by copper loss calculation and core loss analy...

The kinetics of electrogenic events associated with the different steps of the light-induced proton pump of bacteriorhodopsin is well studied in a wide range of time scales by direct electric methods. However, the investigation of the fundamental primary charge translocation phenomena taking place in the functional energy conversion process of this protein, and in other biomolecular assemblies ...

The 1H and 15N NMR spectra of several 15N-labeled pyridoxal-5'-phosphate model systems have been measured at low temperature in various aprotic and protic solvents of different polarity, i.e., dichloromethane-d2, acetonitrile-d3, tetrahydrofuran-d8, freon mixture CDF3/CDClF2, and methanol. In particular, the 15N-labeled 5'-triisopropyl-silyl ether of N-(pyridoxylidene)-tolylamine (1a), N-(pyrid...

Inductive power transfer (IPT) systems have become increasingly popular in recharging electric vehicle (EV) batteries. This paper presents an investigation of a series parallel/series (SP/S) resonant compensation network based IPT system for EVs with further optimized circular pads (CPs). After the further optimization, the magnetic coupling coefficient and power transfer capacity of the CPs ar...

We report the proton affinities (PAs) and gas-phase basicities (GBs) of pyrogallol (1,2,3-trihydroxybenzene) phloroglucinol (1,3,5-trihydroxybenzene), as determined by high level quantum chemical calculations a series isodesmic transfer reactions. These yet unmeasured values have relevance to release active species from nanocarriers derived calixarene family macrocycles. The PAs GBs obtained fo...