An Insight of S‐Nitrosylation of Human GIF

Abstract

Neural growth inhibitory factor (GIF), a member of metallothionein family (metallothionein-3, MT3), was well known by its distinct neural growth inhibitory activity, which is not shown by other MT isoforms. However, till now, people still did not know clearly how GIF exerts its biological functions. Since it has been reported that GIF might serve as NO scavenger and was related to the release of zinc, our study was focused on the interaction of GIF and NO. By studying the reactions of human GIF and human MT1g with SNOC-a type of NO donor, it was found that GIF was more reactive than MT-1g toward SNOC. In order to further figure out if the high reactivity of GIF in this reaction resulted from the acid-base catalysis, several mutants were constructed: E23K, E41G/E43A, E23K/E41G/E43A. By studying their basic properties and the reactions toward SNOC, it was found that the S-nitrosylation of GIF was not only related to the acid-base catalysis, but also to the accessibility of metal-thiolate clusters.

Theoretical Studies on Electronic Structures and Spectroscopy of Fluorescent Arylamino Fumaronitrile

“…In spite of the better precision of time-dependent density functional theory (TD-DFT) compared to the semiempirical method, there is still a more serious defect in accuracy when comparing TD-DFT calculated results with experimental ones [15]. Therefore the INDO/CIS method without any adjustment of parameters [19][20][21][22][23][24][25][26][27][28] is used here to investigate the configuration interaction on the basis of the B3LYP/6-31G* optimized geometries of compounds 1-9. One hundred and ninety-seven configurations including the ground state are states generated by exciting electrons from the 14 HOMO into the 14 LUMO.…”

UV and IR Studies on Heterofullerene C76BN

“…Based on C 78 (C 2v ), a nitrogen atom is used to substitute for one carbon atom to get the most stable isomer C 77 N + (78) [12]. Then a boron atom is employed to replace another carbon atom such as C(69) to get 69,78-C 76 BN.…”

“…Chen et al calculated electronic structures and spectra of C 58 BN, C 60−x−y B x N y and C 60−2x (BN) x [7][8][9]. We used INDO methods to study the stability of C 75 N + , C 75 B − , C 77 N + and C 76 N 2 isomers [10][11][12][13]. In this work, we explored the structures, UV and IR spectra of C 76 BN, and discussed the reason for the red-shift of UV bands relative to C 78 (C 2v ).…”

<b>A COMPUTATIONAL STUDY ON THE HYDROGEN-BONDED COMPLEXES FORMED BY THE ANTHYRIDONE AND DIALDEHYDE DERIVATIVES</b>

“…The binding energy of a complex was defined as the total energy of the complex minus the energies of the two independent monomers [7][8][9][10][11][12][13]. The triply hydrogen-bonded dimer (complex 1: R = H, X = H) was composed of anthyridone (monomer A) and 2, 6-diaminopyridine-3,5dialdehyde (monomer B).…”

“…If the three bond lengths d N(27)-H(36) , d N(10)-H (20) and d N(28)-H(37) of the N(27)-H(36), N(10)-H (20) and N(28)-H(37) bonds in complex 1 were all fixed at 0.11, 0.12, …, 0.21 nm, respectively, other coordinates including bond lengths, bond angles and dihedral angles were optimized [8][9][10] by the AM1 method [14] to gain the total energy for the system at the ground state. After that, the electronic spectrum was calculated to obtain the lowest transition energy thus to find the total energy at the first excited state.…”