The interaction between the microtubule associated protein, tau and the microtubules is investigated. A fluorescence resonance energy transfer (FRET) assay was used to determine the distance separating tau to the microtubule wall, as well as the binding parameters of the interaction. By using microtubules stabilized with Flutax-2 as donor and tau labeled with rhodamine as acceptor, a donor-to-a...

Sequential Monte Carlo/Quantum Mechanical calculations of the interaction energy of hydrogen-bonded methanol in liquid water gives the same result for methanol acting either as the proton donor or the proton acceptor. For the complex-optimized cases methanol acting as the proton acceptor, CH3HO· · ·H2O, is more stable than the proton donor, CH3OH· · ·OH2, by ∼ 0.5 kcal/mol. In the case of metha...

A donor-acceptor covalent organic framework (COF), TB-COF, constructed from an electron-rich building unit (donor) and electron-deficient (acceptor), was developed as a promising photothermal agent for therapy (PTT). Upon laser irradiation, significant photoinduced electron transfer (PET) occurs between the donor acceptor in converting absorbed optical energy to thermal resulting ablation of tu...

In this contribution, we report studies on the nature of binding of a potent antituberculosis drug, Rifampicin (RF) with a model drug delivery system, sodium dodecyl sulfate (SDS) micelle. Temperature dependent dynamic light scattering (DLS), conductometry, and circular dichroism (CD) spectroscopy have been employed to study the binding interaction of the drug with the micelle. The absorption s...

The unprecedented dependence of final charge separation efficiency as a function of donor-acceptor interaction in covalently-linked molecules with a rectilinear rigid oligo-p-xylene bridge has been observed. Optimization of the donor-acceptor electronic coupling remarkably inhibits the undesirable rapid decay of the singlet charge-separated state to the ground state, yielding the final long-liv...

We identify the key property that the exchange-correlation (XC) kernel of time-dependent density-functional theory must have in order to describe long-range charge-transfer excitations. We show that the discontinuity of the XC potential as a function of particle number induces a spaceand frequency-dependent discontinuity of the XC kernel that diverges as r → ∞. In a combined donor-acceptor syst...

2014 The tight binding calculation of the orbital magnetic susceptibility in Graphite Intercalation Compounds is reexamined to account for the different behaviour of Donor and Acceptor Compounds. The two dimensional tight binding model for 03C0 electrons treating symmetrically valence and conduction bands cannot explain experimental data. The inclusion of the second neighbour in-plane interacti...

A novel acceptor (A)–donor (D)–acceptor (A) molecular architecture for pseudocapacitor applications with imrpoved electrochemical performance is demonstrated.

A novel donor-acceptor bisphthalocyanine (bis-Pc, 1) in which two different Pc units (Zn(II)-Pc and Ni(II)-Pc) are linked via vinylene spacers to the pseudopara positions of a central [2.2]paracyclophane moiety is described. The synthesis of 1 is achieved by two successive Heck reactions of pseudopara-divinyl[2.2]paracyclophane 9 with, sequentially, a zinc(II)- and a nickel(II)-iodophthalocyani...