Studying Complex Interaction of B2H4 with HOR(R = H, CH3) and Nhn(CH3)3-N (N = 0-3) Molecules
Journal Title: International Journal of Medical Nano Research - Year 2016, Vol 3, Issue 1
Abstract
Ab initio calculations were carried out to analyze the interaction between one molecule of B2H4 with H2O, CH3OH, NH3, NH2CH3, NH(CH3)2 and N(CH3)3 molecules at the MP2/aug-cc-pVDZ computational level. B2H4 could act as a hydrogen bond donor through its bridged hydrogens (Hb); while, the B-B can act as a hydrogen bond acceptor. Thus, the interaction of B2H4 with the mentioned molecules resulted in formation of Hb...X and/or B-B...H hydrogen bond complexes; whereas, Ht atoms of B2H4 were ineffective to form Ht...H dihydrogen bond complexes with the amine molecules. Results showed that the B-B...H interactions were stronger than Hb...X counterparts. The obtained structures were analyzed by the natural bond orbital (NBO) and Atoms in Molecules (AIMs) methodologies.
Authors and Affiliations
Keywords
Related Articles
- EP ID EP352255
- DOI 10.23937/2378-3664/1410016
- Views 138
- Downloads 0
Modification of the Uranyl Acetate Replacement Staining Protocol for Transmission Electron Microscopy
A uranyl acetate replacement staining protocol has eliminated the need for highly toxic uranyl acetate in the electron microscopy laboratory. However, the method results in undesirable charging effects when viewed under...
Ovarian Cancer Treatment by Suicide Gene Therapy: Beauty of Nanotechnology in Medicine
There has been a global interest worldwide in the recent trend of medical researches, which is basically a merge up between basic biology and engineering tools/technology. Imaging, microfluidics, nanofluidics, surface pl...
Studying Complex Interaction of B2H4 with HOR(R = H, CH3) and Nhn(CH3)3-N (N = 0-3) Molecules
Ab initio calculations were carried out to analyze the interaction between one molecule of B2H4 with H2O, CH3OH, NH3, NH2CH3, NH(CH3)2 and N(CH3)3 molecules at the MP2/aug-cc-pVDZ computational level. B2H4 could act as a...
Estimating Binding Capability of Radiopharmaceuticals by Cell Culture Studies
Radiopharmaceuticals have applications in biologic research, drug discovery, diagnosis of human disease and molecular therapeutics for a wide variety of medical conditions. With the increasingly central role of radiotrac...
Silver Nanoparticles for the Rapid Healing of Diabetic Foot Ulcers
Diabetic foot ulcers are one of the major complications of patients with diabetes mellitus. And due to their high susceptibility to microbial infections, are the leading cause of hospitalization and amputation of lower l...