• Bulletin of the Korean Chemical Society
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• 제35권4호
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• pp.1023-1028
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• 2014

Protonated caffeine ($CH^+$) and glucosamine ($GH^+$) overlapped in an analysis with ion mobility spectrometryquadrupole mass spectrometry. Ethyl lactate vapor (L) at different concentrations from 0 to 22 mmol $m^{-3}$ was added as a buffer gas modifier to separate these signals. The drift times of $CH^+$ and $GH^+$ increased with L concentration. The drift time increase was associated to clustering equilibria of $CH^+$ and $GH^+$ with one molecule of L and the equilibrium of $GH^+$ was more displaced to the formation of $GLH^+$ than that of $GLH^+$. $GH^+$ clustered more to L than $CH^+$ because $GLH^+$ formed more stable hydrogen bonds (26.30 kcal/mol) than $GLH^+$ (24.66 kcal/mol) and the positive charge in $GH^+$ was more sterically accessible than in $CH^+$. The aim of this work was to use theoretical calculations to guide the selection of a buffer gas modifier for IMS separations of two compounds that overlap in the mobility spectra and predict this separation, simplifying that empirical process.

• Bulletin of the Korean Chemical Society
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• 제17권9호
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• pp.820-826
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• 1996

The p2H dependence of the NMR chemical shifts of the proton signals of heme methyl groups and ionizable groups in the vicinity of the heme were investigated. The p2H titration of heme methyl signals in four macroscopic oxidation states by saturation tranfer method was performed in the range between p2H 5.2 and 9.0. While the p2H dependence of the heme methyl resonance in fully oxidized state was small, most resonances in the intermediate oxidation states showed certain shifts. Particularly, methyl resonances of heme 1 (sequential heme numbering) exhibited sharp p2H dependence in acidic range. β-CH2 of the propionate of hemes 1 and 4 were titrated in the range of p2H 4.5-9.0. Only the 6-propionate group of heme 1 was protonated in this p2H range and its titration curve was similar to those of methyl resonances of heme 1 in intermediate oxidation states. Analysis of the microscopic redox potentials showed that they change depending on p2H. The ionizable groups responsible for the p2H dependence of these potentials are 6-propionate of heme 1 in acidic range and His 67 in basic range.

• Bulletin of the Korean Chemical Society
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• 제13권3호
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• pp.230-235
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• 1992

The conformational analysis has been done for catecholamines (dopamine, norepinephrine, and epinephrine) in the cationic and di-anionic states. The species responsible for adsorption on silver metal surface is anionic deprotonated at hydroxyl groups of catechol moiety, i.e., di-anionic states of catecholamines. This was deduced from Fourier-transform Raman spectra of sodium salts of catecholamines. High resolution proton NMR (400 MHz) spectra of catecholamines in basic and neutral $D_2O$ solution show that the conformations of norepinephrine and epinephrine in the di-anionic states are preferred in gauche, but not for dopamine in the di-anionic state. However the energy difference between trans and gauche of catecholamines in the protonated cationic states is small enough to rotate freely through C-C bond in ethylamine moiety. The conformational calculations using an empirical potential function and the hydration shell model (a program CONBIO) show consistent with above experimental results. The calculations suggest that the species of catecholamines adsorbed on silver metal surface would be in favor of the gauche conformations.

• 대한화학회지
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• 제44권1호
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• pp.4-9
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• 2000

여러 가지의 분광법과 전위차 적정법을 이용하여, 퀴놀론의 유도체인 norfloxacin의 자체 회합과 pH에 따른 형태에 대하여 연구하였다. norfloxacin의 작용기 중에서 피페라진 고리와 카르복실기의 두 질소원자는 낮은 pH 용액에서는 수소화(양이온 형태)되고, 높은 pH 용액에서는 두 수소가 모두 이탈하며(음이온 형태), 중간 pH 범위의 용액에서는 zwitter 이온이 두드러지게 형성되었다. 또한, 이 중간 pH용액에서는 norfloxacin 두 분자가 자체 회합을 이루었다. Stern-Volmer 측정법에 의하여 norfloxacin-DNA 결합체의 결합 상수를 조사하였는데, 용액의 pH가 낮을수록 그 결합 상수는 증가하였다. 이것은 용액 상태에서 DNA에 결합하는 norfloxacin의 분자종이 여러 분자종 중에서 그 형태가 양이온임을 나타내는 것이다.

• Journal of Photoscience
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• 제9권2호
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• pp.534-536
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• 2002

A halophilic archaeon, Halobacterium salinarum, exhibits phototactic behaviors, by which the organism is guided to red-orange light and evades shorter wavelengths of light. The phototaxis is mediated by two retinal proteins, sensory rhodopsin I and II (SRI and SRII), whose structures are analogous to the cognate protein bacteriorhodopsin, a light-driven proton pump. SRI mediates both attractant and repellent swimming behaviors to orange light and near- UV light, respectively. The two different signaling through the single photoreceptor have been ascribed to the presence of two active structures of SRI (S$\_$373/ and P$\_$520), which are produced upon orange light illumination of SRI and upon subsequent near-UV illumination of S$\_$373/, respectively. In the present study, we have measured the difference FTIR spectra of S$\_$373/ and P$\_$520/ states. In P$\_$520/, the isomeric structure of the chromophore is assignable to all-trans, and the Schiff base of the chromophore is protonated with concomitant deprotonation of Asp76, a combination which allows for the formation of a salt bridge between them. It was suggested that the way of interaction between the Schiff base and the counterion, which is different among SRI$\_$587/, S$\_$373/ and P$\_$520/ and which has been shown to drive the conformational changes in the cognate protein, bacteriorhodopsin, is the key to controlling conformational changes for the attractant and the repellent signaling by SRI.

• 대한화학회지
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• 제65권2호
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• pp.93-105
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• 2021

Mononuclear Cu(II), Ni(II), Co(II), Mn(II), Zn(II), Fe(III), Ru(III), and UO2(II) complexes of 2-hydroxy-4-(p-tolyldiazenyl)benzylidene)-2-(p-tolylamino)acetohydrazide (H2L) were prepared by direct method. The ligand and its complexes were isolated in solid state and characterized by analytical techniques such as elemental and thermal analyses, molar conductance, magnetic susceptibility measurements and spectroscopic techniques such as UV-Visible, IR, 1H-NMR and 13C-NMR. The spectral data indicated that the ligand acted as neutral/monobasic bidentate or monobasic/dibasic tridentate ligand bonded to the metal ions through the oxygen atom of ketonic or enolic carbonyl group, azomethine nitrogen atom and deprotonated/protonated phenolic oxygen atom forming either tetragonally distorted octahedral or octahedral. Antimicrobial activities of the ligand and its complexes were evaluated against Escherichia coli, Bacillus subtilis and Aspergillus niger by well diffusion method. The results of antifungal activity showed that the Fe(III) complex (10) exhibited higher antifungal against Aspergillus niger than the other complexes. However, the results of antibacterial activity revealed that Cu(II) complex (4) is the most active against Escherichia coli while the Cu(II) complex (5) and Fe(III) complex (10) exhibited higher antibacterial effect on Bacillus subtilis than the other complexes.

• Korean Chemical Engineering Research
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• 제43권4호
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• pp.542-547
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• 2005

생체흡착은 염색폐수로부터 염료 제거를 위한 현재의 처리방법을 교체 또는 보충할 수 있는 유력한 대안이 되고 있다. 본 연구에서는 수용액으로부터 반응성 염료(Reactive Red 4, Reactive Blue 4)를 제거할 수 있는 생체흡착제로서 아미노산 발효공정에서 발생되고 있는 폐기물인 Corynebacterium glutamicum 바이오매스의 활용 가능성에 대해 평가하였다. 염료들의 흡착량은 용액 pH가 감소함에 따라 증가하였는데 이는 산성 pH에서 바이오매스의 표면 작용기는 (+)극성을 띠게 되어 반응성 염료의 (-)극성을 갖는 술폰기(sulfonate group)와 결합하였기 때문인 것으로 사료된다. 접촉시간에 따른 생체흡착속도 실험을 통해 평형에 도달하는 시간은 약 10시간으로 평가되었다. 흡착평형의 수학적인 묘사를 위해 Langmuir 흡착 모델을 적용한 결과, Reactive Red 4, Reactive Blue 4의 최대흡착량은 pH 1에서 112.4 mg/g 및 263.16 mg/g이었으며, pH 3에서는 각각 71.94 mg/g 및 155.88 mg/g이었다.