• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.2023-2027
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• 2012

An efficient and practical synthesis of MBH adducts of aryl vinyl ketones was developed using DABCO and 4-nitrophenol as a proton donor. Addition of a proton donor and the use of excess amounts (3.0 equiv) of aldehydes were highly beneficial for the yields of MBH adducts of aryl vinyl ketones.

• Journal of Food Hygiene and Safety
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• v.2 no.2
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• pp.75-81
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• 1987

Bifunctional monoterpene 유도체의 향의 유무는 분자내에 존재하는 두 개의 관능기인, proton donor(AH)와 proton acceptor(B)가 olfaction과 구조활성 상호작용(SAR)과 밀접한 관계가 있다. 일반적으로 Ohloff가설에 의하면, p-menthane monoterpene 분자내의 AH와 B의 입체배위적 최소거리가 3${\AA}$ 이하인 경우 향을 갖고, 3${\AA}$ 이상인 경우는 향을 갖지 않는다. Bifunctional pinanone, thujane, carane, carvomenthone 및 기타 menthone 유도체 등을 이용하여 이 가설을 확대 연구하였다. Bifunctional monoterpene인 (원문이미지참조) 등은 분자내에 각각 AH (OH 혹은 COOH)와 B (C=O)의 입체배위적 최소 거리가 항상 3${\AA}$ 이하여서 향을 가지며, 이들은 olfactory three point attachment에 의한 구조활성 상관관계를 가지는 것으로 사료된다. 상기 화합물의 proton donor인 OH, 혹은 COOH가 각각 acetylation이나 methylation되는 경우에는 proton donor로서의 기능 상실로 향이 사라지게 되었다.

• Bulletin of the Korean Chemical Society
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• v.32 no.3
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• pp.1087-1090
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• 2011

• Bulletin of the Korean Chemical Society
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• v.10 no.6
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• pp.488-491
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• 1989

Theoretical studies on the proton transfer reaction in a formamide dimer have been done by Ab initio SCF calculation. In this study, we have shown several effects on the potential energy profile of the proton transfer in a formamide dimer, such as the effect of a basis set, the effect of a geometry optimization, and the effect of a distance between proton-donor and proton-acceptor.

• Bulletin of the Korean Chemical Society
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• v.26 no.11
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• pp.1706-1710
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• 2005

The excited-state intramolecular proton transfer (ESIPT) fluorescence in the 2-(2'-hydroxyphenyl)benzoxazole (HBO) derivatives with different electron donor and acceptor substituents was studied by spectroscopic and theoretical methods. Changes in the electronic transition, energy levels, and orbital diagrams of HBO analogues were investigated by the semi-empirical molecular orbital calculation and were correlated with the experimental spectral position of ESIPT keto emission. It was found that the presence of substituents, regardless of their nature, resulted in the red-shifted absorption relative to HBO. However, the spectral change of the ESIPT fluorescence was differently affected by the nature of substituent: hypsochromic shift with electron donor and bathochromic shift with electron acceptor.

• Journal of the Korean Ceramic Society
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• v.42 no.1
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• pp.50-55
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• 2005

New fast proton-conducting organic-inorganic nanocomposite membranes were successfully fabricated using polymer matrix obtained through proper oxidation of thiol ligands in (3-Mercaptopropyl) trimethoxysilane (MPTS) and hydrolysis/condensation reaction of (3-glycidoxypropyl) trimethoxysilane (GPTS). The obtained nanocomposite membranes showed relatively hirh proton-conductivity over $10^{-2}S/cm$ at $ 25^{circ}C$. The proton conductivities of the fabricated composite membranes increased up to $3.6{\times}10^{-1}$ S/cm cm by increasing temperature and relative humidity to $70^{circ}C$ and 100 $100RH\%$. The high proton conductivity of the composites Is due to the proton conducting path through the GPTS-derived 'pseudo-polyethylene oxide 'network in which sulfonic acid ligands work as a proton donor.

• Korean Journal of Microbiology
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• v.30 no.6
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• pp.432-437
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• 1992

When $H^{2}$ was provided as the electron donor, optimum $O_{2}$ levels for growth of Wolinella succinogenes ATCC 29543 were 2% and 8% on brucella agar and in brucella broth, respectively. No growth occurred under 21% $O_{2}$, and scant or no growth occurred under anaerobic condition. $O_{2}$ uptake was inhibited by cyanide and 2-heptyl-4-hydroxyquinoline N-oxide. Protons were translocated out of the cell when oxygen was used as the terminal electron accetor. The $H^{+}$/O ratio with $H_{2}$ and formate as an electron donor were 1, 97 and 1.49, respectively. Proton translocation was inhibited by the protonophore carbonylcyanide m-chlorophenylhydrazone.e.

• Rapid Communication in Photoscience
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• v.2 no.2
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• pp.60-63
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• 2013

Rhodopsins belong to a family of membrane-embedded photoactive retinylidene proteins. One opsin gene was isolated from ${\beta}$-proteobacterium (IMCC9480) which had been collected at the North Pole. It is very similar to Xanthorhodopin (XR) of HTCC2181. In this study, we carried out basic characterization of the rhodopsin. It has ${\lambda}max$ of 536, 554, and 546 nm at pH 4.0, 7.0, and 10.0, respectively. Since the pKa of its proton acceptor is around 6.27, we measured its proton pumping activity and photocycling rate at pH 8.0. It has a typical proton acceptor (D99) and donor (E110) which mediate proton translocation from intracellular to extracellular region when deduced from the sequence alignments. On the basis of in vitro proton pumping activity, it was proposed to have fast photocycling rate with M and O intermediates, indicating that it is a typical ion-pumping rhodopsin. Since the XR has not yet been expressed in any other heterologous expression system, we tried to get much more information about the XR through the XR-homologue rhodopsin.

• Bulletin of the Korean Chemical Society
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• v.34 no.2
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• pp.465-469
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• 2013

Proton transfer reaction is one of the most fundamental processes in chemistry and life science. Excited state intramolecular proton transfer (ESIPT) has been studied as a model system of the proton transfer, since it can be conveniently initiated by light. We report ESIPT reaction dynamic of 1-hydroxy-anthraquione (1-HAQ) in solution by highly time-resolved fluorescence. ESIPT time of 1-HAQ is determined to be $45{\pm}10$ fs directly from decay of the reactant fluorescence and rise of the product fluorescence. High time resolution allows observation of the coherent vibrational wave packet motion in the excited state of the reaction product tautomer. The coherently excited vibrational mode involves large displacement of the atoms, which shortens the distance between the proton donor and the acceptor. With the theoretical analysis, we propose that the ESIPT of 1-HAQ proceeds barrierlessly with assistance of the skeletal vibration, which in turn becomes excited coherently by the ESIPT reaction.

• Bulletin of the Korean Chemical Society
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• v.7 no.5
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• pp.395-399
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• 1986

Intramolecular proton transfer equilibria of acetamide and methyl carbamate have been studied theoretically by MNDO MO method. For both substrates, carbonyl-O protonated tautomer was found to be the most stable form, the next most stable one being N-protonated form. Gas phase proton transfers take place by the 1,3-proton rearrangement process and in all cases have prohibitively high activation barriers. When however one solvate water molecule participates in the process, the barriers are lowered substantially and the process proceeds in an intermolecular manner through the intermediacy of the water molecule via a triple-well type potential energy surface; three wells correspond to reactant(RC), intermediate(IC) and product complex(PC) of proton donor-acceptor pairs whereas two transition states(TS) have proton-bridge structure. General scheme of the process can be represented for a substrate with two basic centers(heteroatoms) of A and B as, $$ABH\limits^+\;+\;H_2O\;{\to}\;ABH\limits^+{\cdots}{\limits_{RC}}OH_2\;{\to}\;AB{\cdots}H\limits_{TS}^+{\cdots}{\limits_{1}}OH_2\;{\to}\;AB{\cdots}{\limits_{IC}}H\limits^+OH_2\;{\to}\;BA{\cdots}H\limits_{TS}^+{\cdots}{\limits_{2}}OH_2\;{\to}\;BA H\limits^+{\cdots}{\limits_{PC}}OH_2\;{\to}\;BAH\limits^+\;+\;H_2O$$ Involvement of a second solvate water had negligible effect on the relative stabilities of the tautomers but lowered barrier heights by 5∼6 Kcal/mol. It was calculated that the abundance of the methoxy-O protonated tautomer of the methyl carbamate will be negligible, since the tautomer is unfavorable thermodynamically as well as kinetically. Fully optimized stationary points are reported.