the interaction of anticancer drug sn (ch3)2(n-acetyl-l-cysteinate) with carbon nanotube (cnt)is investigated by quantum chemical ab initio calculations at fif/ (lanl2dz+sto-3g) and hf/(lanl2dz+6-31g) levels in gas phase and solution. the solvent effect is taken into account viathe self-consistent reaction field (scrf) method. carbon nanotubes can act as a suitable drugdelivery vehicle for inte...

as drug delivery systems nanoparticulan widely investigated because of many advantages such as smaller size,controlled drug release potential targeting ability, enhancement of therapeutic efficacy and reduction oftoxicity. so, carbon nanotubes have recently received considerable attention as alternative drug delivery carrierin this study we investigate interaction of tamoxifen with open-end of ...

The interaction of anticancer drug Sn (CH3)2(N-acetyl-L-cysteinate) with carbon nanotube (CNT)is investigated by Quantum chemical ab initio calculations at FIF/ (LanL2DZ+STO-3G) and HF/(LanL2DZ+6-31G) levels in gas phase and solution. The solvent effect is taken into account viathe self-consistent reaction field (SCRF) method. Carbon nanotubes can act as a suitable drugdelivery vehicle for inte...

A series of carbonyl metal complexes with anions of functional «-amino acids has been pre­ pared: [M(CO),(L-histidinate)]' (M = Cr, Mo, W), M(CO),(L-histidinate) (M = Mn, Re), [Re(CO)3(NO)(L-histidinate)] + PF6-, M(CO)2(//3-allyl)(L-histidinate) (M = Mo, W), Mo(CO)2(NO)(L-histidinate), [Mo(CO)(NO)(^3-methalIyl)(L-histidinate)]PF6, Mo(CO)2(/73-methallyl)(L-histidineOMe)Cl, [M(CO)3(cysteinate)]2~...

abstract the structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and gaas-doped on boron phosphide nanotubes (bpnts) was investigated by calculating the nuclear magnetic resonance tensors and with performing the density function theory. the geometrical structures of all representative pristine and gaas-doped models...

we have evaluated the nmr shielding tensors for active site of oxidized ayurin azurin is classified to atype i copper protein with et functionality. we have computed nmr shielding tensor at .133lyp and idlevels by usum 6-3ig basis set in the gas phase and in different solvents such as water, hmso,nitromethane, methanol, ethanol, acetone ,dicholoroethane. these solvents represent a wide range of...

in this study the chemical properties of b6c4si and c16 clusters connected vitamin c have been investigated using density functional theory (dft). nmr parameters and homo- lumo gap energy are calculated by using density functional method (b3lyp) with 6-311g* basis set. calculations show that homo- lumo gap energy of vitamin c decreases after connecting to b6c4si or c16 cluster decreasing of hom...

The impact of MR-guided attenuation correction (compared to CT-based AC) on the diagnosis anosmia based 99m-Tc Ethyl-Cysteinate-Dimer SPECT images

L-Cysteinate-intercalated CaAl-layered double hydroxide (LDH) was prepared by the co-precipitation method producing highly crystalline hydrocalumite phase with a well-pillared interlayer gallery. The obtained materials were characterized X-ray diffractometry, IR as well Raman spectroscopies. By performing interlamellar oxidation reactions peracetic acid oxidant, of cysteinate to cystinate in aq...