• Bulletin of the Korean Chemical Society
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• v.30 no.10
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• pp.2341-2344
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• 2009

Metallacyclodimers, [Ag(OTf)($L1)]_2$ and [Ag($L2)]_2(OTf)_2$ (L1 = 1,3-dibromo-2,2-bis[(isonicotinoyloxy)methyl] propane; L2 = 2,5-dimethyl-2,5-bis(isonicotinoyloxy)hexane) were constructed and characterized. The crystal structure of [Ag(OTf)($L1)]_2$ reveals a 32-membered cyclodimer, whereas that of [Ag($L2)]_2(OTf)_2$ shows a linked 34-membered cyclodimer chain via intercyclic argentophilic (Ag…Ag) interactions. [Ag(OTf)($(L1)]_2$ affords “intramolecular $\pi-\pi$ interaction cyclodimer” whereas [Ag($L2)]_2(OTf)_2$ produces a racemic mixture of “twisted cyclodimer”. Ring-conformation of the cyclodimers was affected via the competition of electrostatic interaction and argentophilic interaction.

• Bulletin of the Korean Chemical Society
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• v.35 no.1
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• pp.83-86
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• 2014

Poly(A) polymerase (PAP) play an essential role for maturation of mRNA by adding the adenylate residues at the 3' end. PAP functions are regulated through protein-protein interaction at its C-terminal region. In this study, cyclophilin A (CypA), a member of the peptidyl-prolyl cis-trans isomerase family, was identified as a partner protein interacting with the C-terminal region PAP. The interaction between PAP and CypA was inhibited by the immunosuppressive drug cyclosporine A. Deletion analysis revealed that the N-terminal 56 residues of CypA are sufficient for the interaction with PAP. Interestingly, we observed that PAP and CypA colocalize in the nucleus during SDF-1-induced chemotaxis, implying that CypA could be involved in the regulation of polyadenylation by PAP in the chemotactic cells.

• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.305-308
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• 2008

We performed coupled-cluster calculations to determine the intermolecular interaction energy between two TiAu4 clusters. Our ab initio calculations predict that the binding energy is 2.89 eV, which is somewhat larger than the known binding energy of 2.0 eV for TiH4-TiH4. The intermolecular binding energy is relatively high, despite TiAu4 having all the attributes of a magic cluster. The favorable orbital interaction between occupied Au(6s) and unoccupied Ti(3d) orbitals leads to the strong dimeric interaction for TiAu4-TiAu4.

• Bulletin of the Korean Chemical Society
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• v.17 no.3
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• pp.239-244
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• 1996

Mastoparan B (MP-B) that is a novel MP isolated from the hornet Vespa basalis, was studied as compared with MP, in terms of interaction with phospholipid bilayer and antimicrobial activity. MP-B has more hydrophilic amino acid residues in hydrophilic face of amphiphilic α-helical structure than MP. The both peptides exhibited considerably different effect on interaction with lipid bilayers, e.g. their conformation in the presence of acidic and neutral liposomes, dye-release ability from encapsulated liposomes, but on the whole the interaction mode was similar. On antimicrobial activity, MP had a strong activity against Gram-positive bacteria but no against Gram negative ones. Contrary to this, MP-B had a strong activity against Gram-positive and potent against Gram-negative ones. Since both peptides have almost same residues on the hydrophobic side, such more hydrophilic surface on the molecule seems to lead to the subtle change in its interaction with membranes, resulting in the alternation in its biological activity.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.286-289
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• 1991

The changed isotropic absolute Raman intensities of the phosphate residue in the complexes of positive charge oligopeptides, lys-lys, arg-arg, lys-aromat-lys, negative charge diethyl phosphoric acid (DEP) and polyriboadenylic acid{poly(rA)} were reported and discussed. Our measurements showed that the absolute intensities of phosphate stretch vibration in complexes were different according to the reaction partners. Due to the partial electrical charge and molecular structure of oligopeptides for the complex formation lysine can interact more strongly than arginine when the reaction partners have short chain and no steric hindrance. Owing to these reasons the intensity of phosphate stretching vibration is very sensitive according to the circumstance of reaction. From our results we could suggest that we can discriminate any one of the the lysine and arginine in the complicated biological molecule during interaction between nucleotides and proteins. The activity of reaction of two basical oligopeptides is not quite similar for complex formation in aqueous solution. The activity of dipeptides depends upon the structure of molecule and environment for complex formation. Aromatic ring contributes to electrostatic interaction in complexes. The amount of the absolute intensity for pure stacking interaction is smaller than electrostatic interaction in macromolecular complexes.

• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.3117-3119
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• 2009

• Journal of the Korean Society of Combustion
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• v.18 no.4
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• pp.44-52
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• 2013

Important role of chemical interaction in flame extinction was numerically investigated in downstream interaction among lean(rich) and lean(rich) premixed as well as partially premixed $H_2$-air and CO-air flames. The strain rate varied from 30 to $5917s^{-1}$ until interacting flame could not be sustained anymore. Flame stability diagrams mapping lower and upper limit fuel concentrations for flame extinction as a function of strain rate are presented. Highly stretched interacting flames were survived only within two islands in the flame stability map where partially premixed mixture consisted of rich $H_2$-air flame, extremely lean CO-air flame, and a diffusion flame. Further increase in strain rate finally converges to two points. Appreciable amount of hydrogen in the side of lean $H_2$-air flame also oxidized the CO penetrated from CO-air flame, and this reduced flame speed of the $H_2$-air flame, leading to flame extinction. At extremely high strain rates, interacting flames were survived only by a partially premixed flame such that it consisted of a very rich $H_2$-air flame, an extremely lean CO-air flame, and a diffusion flame. In such a situation, both the weaker $H_2$-air and CO-air flames were parasite on the stronger diffusion flame such that it could lead to flame extinction in the situation of weakening the stronger diffusion flame. Particular concerns are focused on important role of chemical interaction in flame extinction was also discussed in detail.

• Bulletin of the Korean Chemical Society
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• v.26 no.4
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• pp.548-552
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• 2005

The interaction between ionic surfactants and different nonionic molecules and polymers are studied using ion surfactant selective electrode. From the experimental data, critical concentrations of the interaction and binding process are evaluated. The interaction between hexadecyltrimethylammonium bromide (HTAB) with polyethylene glycol (PEG) in three molecular weights (1000, 10000 and 100000) and also schiff-bases, 2-[2-carboxyphenyl nitrilomethylidyne]-phenol (ortho CNP), 2-[3-carboxyphenyl nitrilomethylidyne]-phenol (meta CNP)and 2-[4-carboxyphenyl nitrilomethylidyne]-phenol (para CNP) with the potentiometric method were investigated using HTAB membrane selective electrode. In the case of PEG with increasing molecular weights more interaction to HTAB occurs. The electromotive force (EMF) data also showed that interaction between para CNP with HTAB is more than the other schiff-bases. It seems this case related to less space interference of COOH group for that compound. The onset of binding ($T_1$) of course is the same for three schiffbase molecules.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3727-3732
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• 2013

The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

• Bulletin of the Korean Chemical Society
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• v.30 no.11
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• pp.2617-2620
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• 2009

Using Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices the series expansion formulae in terms of multicenter overlap integrals of three complete orthonormal sets of ${\psi}^{\alpha}$‒exponential type orbitals and linear combination coefficients of molecular orbitals are established for the potential of electrostatic field produced by the charges of molecule, where $\alpha$ = 1, 0, ‒1, ‒2,${\cdots}$. The formulae obtained can be useful for the study of interaction between atomic--molecular systems containing any number of closed and open shells when the ${\psi}^{\alpha}$‒exponential type basis functions and Coulomb-Yukawa like correlated interaction potentials are used in the Hartree-Fock-Roothaan and explicitly correlated approximations. The final results are valid for the arbitrary values of parameters of correlated interaction potentials and orbitals. As an example of application, the calculations have been performed for the potential energy of interaction between electron and molecule $H_2O$ using combined Hartree-Fock-Roothaan equations suggested by the author.