The charge-transport properties in C8BTBT-FnTCNQ and DMQtT-F4TCNQ mixed-stack crystals have been investigated by means of density functional theory, molecular dynamics and kinetic Monte Carlo simulations. The super-exchange nature of charge transport in these crystals is elucidated by the Larsson partition-based electronic coupling method that was developed recently by us. Compared with hole tr...

Charge Transfer (CT) complexes formed between dibenzo-24-crown-8 (DB24C8) as an electron donor with the σ-electron acceptor iodine (I2) in chloroform, dichloromethane, and 1,2-dichloroethane solutions have been studied by different spectroscopic techniques at room temperature. The spectral studies of the complexes were det...

Solar cells based on p-conjugated donor-acceptor (D-A) organic molecular systems are a promising alternative to conventional electrical energy generation. D-A systems, which have triphenylamine (TPA) moiety linked with benzothiadiazole (BTD) moiety, open the potential development of new small molecule donors for bulk heterojunction (BHJ) solar cells. Here, series donor-acceptor-π-acceptor (D-A-...

We present a high content multiwell plate cell-based assay approach to quantify protein interactions directly in cells using Förster resonance energy transfer (FRET) read out by automated fluorescence lifetime imaging (FLIM). Automated FLIM is implemented using wide-field time-gated detection, typically requiring only 10 s per field of view (FOV). Averaging over biological, thermal and shot noi...

Heterogeneous catalytic hydrogenation of cyclohexene, catalyzed by Pt/A1203, was carried out in thirteenvarious solvents (four alcoholic solvents, six aprotic polar solvents and three non polar solvents) at 25 °C.Single-parameter correlations of logk vs. normalized polarity parameter (ETN), hydrogen-bond acceptorbasicity (p), hydrogen-bond donor acidity (a) and dipolarity/polarizibility (it*) d...

G Protein Coupled Receptors (GPCR) can form dimers or higher ordered oligomers, the process of which can remarkably influence the physiological and pharmacological function of these receptors. Quantitative Bioluminescence Resonance Energy Transfer (qBRET) measurements are the gold standards to prove the direct physical interaction between the protomers of presumed GPCR dimers. For the correct i...

Abstract Electronic interactions in donor-π-linker-acceptor systems with barbituric acid as an electron acceptor and possible donor were investigated to screen promising candidates a push–pull character based on experimental quantum chemical studies. The tautomeric properties of 5-benzylidenebarbituric derivatives studied NMR spectra, spectrophotometric determination the pKa values, calculation...

This paper investigates the amount of doping concentration in silicon semiconductor using optical principle.  Both donor and acceptor impurities of n type and p-type silicon semiconductor materials are computed at wavelength of 1550 nm. During the computation of donor and acceptor impurities, both reflection and absorption losses are considered. Theoretical result showed that transmitted intens...

new statistic based models provide a wide area of prediction equipments for different science areas. among these fields biology have just entered the contest of interdisciplinary sciences. drug discovery is a long and expensive process which could be decreased with theoretical approaches. in this study, 500 reported assayed anti cancer molecules were extracted from science direct articles, sket...