• Archives of Pharmacal Research
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• 제15권3호
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• pp.229-233
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• 1992

The pKa value of histidine-51 residue was determined by the pH dependency of contents of NADH bound to the active site in the orse liver alcohol dehydrogenase and % inactivation with diethyl pyrocarbonate treatment of the enzyme. The pKa for His-51 was -7.15 in the ternary complex and -6.7 in the enzyme itself.

• Bulletin of the Korean Chemical Society
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• 제18권5호
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• pp.523-527
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• 1997

Apparent second-order rate constants (kapp) have been measured spectrophotometrically for the reaction of 2,4-dinitrophenyl benzoate (DNPB) with 6 secondary cyclic amines in H2O containing 20 mole% DMSO at 25.0±0.1 ℃. The Bronsted-type plot (log kapp vs. pKa) shows a break at pKa near 9.1, e.g. two straight lines with βapp values of 0.67 and 0.44 for the low basic (pKa < 9.1) and the highly basic (pKa > 9.1) amines, respectively. Using an estimated k2 value of 3×109 sec-1, all the other microconstants (k1, k-1 and K) involved in the present aminolysis have been calculated. The k value decreases with increasing the basicity of amines while k1 and K values increase with increasing the amine basicity, as expected. Good linear Bronsted-type plots have been obtained for these microconstants of the present aminolysis of DNPB. The magnitudes of the slope of the Bronsted-type plots, k1 and k-1 have been calculated to be 0.43 and - 0.24, respectively, indicating the k-1 step is about two folds less sensitive than the k1 step to the amine basicity. The K value has been calculated to be 0.66, which appears to be much smaller than the one for other aminolyses showing general base catalysis. The small K value has been attributed to the absence of general base catalysis in the present aminolysis of DNPB.

• 대한화학회지
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• 제55권5호
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• pp.733-740
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• 2011

Multiple regression analysis was used for the calculation of pKa values of 15 substituted benzaldoximes by using various types of descriptors as parameters. These descriptors are based on quantum mechanical treatments. They were derived by employing semi-empirical calculation represented by the PM3 model and an Abinitio method expressed by Hartree-Fock(HF) model performed at the 6-311 G(d, p) level of theory. The parameters tested for their ability to represent the variations observed in the experimental pKa(s) are atomic and structural properties including Muliken charges on the atoms of hydroxyl group and C=N bond, the angle $C_6-C_1-C_7$, and length of O-H bond. Molecular properties are also used like energies of HOMO and LUMO, hardness(${\eta}$), chemical potential(${\mu}$), total energy(TE), dipole of molecule(DM), and electrophilicity index(W). The relation between pKa values and each of these parameters of the studied compounds is investigated. Depending on these relations, two sets of parameters were constructed for comparison between the PM3 and HF methods. The results obtained favor the Abinitio method for such applications although both models proved to have high predictive power and have sufficient reliability to describe the effect of substituents on pKa values of benzaldoxime compounds under consideration which is clear from the values of correlation coefficient $R^2$ obtained and the consistency between the experimental and the calculated values.

• 분석과학
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• 제7권2호
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• pp.173-179
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• 1994

빠른 시간내에 적은 시료로(mg 단위) FIA와 Diode Array Spectrophotometry를 이용하여 해리상수를 구할 수 있는 방법을 개발하는 데 실험의 비중을 두었고, 그 대상으로 Bromo Cresol Green을 사용하였다. 소량의 산 염기를 가할 때 제일 sensitive한 발색반응을 보이는 지시약의 pK는 7.0임이 컴퓨터에 의해 계산되었다. Spectrophotometry를 이용한 Bromothylmol Blue와 Bromocresol Green은 Kielland 방법에 의한 Activity를 보정해 준 후 pKa가 각각 7.31과 4.82를 얻었다(Reported value by Bishop 7.30, 4.79). FIA에 의한 Bromocresol Green의 pKa값은 4.78을 얻어 다른 방법과 유사함을 알 수 있었다.

• Journal of Pharmaceutical Investigation
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• 제28권3호
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• pp.177-183
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• 1998

Low toxicity, reverse thermal gelation and high drug loading capabilities suggest that poloxamer 407 gels have great potential as a topical drug delivery system. Kojic acid (KA) is an antimelanogenic agent which has been widely used in cosmetics to whiten the skin color. However, it has the drawbacks of skin irritancy due to its acidic pH. Poloxamer gels of different polymer contents were formulated to overcome the problem and compared to the cream type formulations of either w/o/w multiple emulsion cream or o/w type emulsion cream. Using Franz diffusion cells mounted with a synthetic cellulose membrane (MWCO 12,000), drug release characteristics of the formulations were evaluated by the HPLC assay of KA concentration in the receptor compartment of pH 7.4 phosphate buffered saline solutions. Drug release from w/o/w multiple emulsion cream was controlled by oil membrane, showing the apparent zero order release kinetics. The KA release from the poloxamer gels was also controlled by the gel matrix, showing that drug release increased linearly as KA contents increase, but decreased exponentially as the polymer contents increase. In the skin irritancy test, the primary irritancy index(PII) of poloxamer gel base was lower than those of multiple emulsion cream base and o/w cream. Depending on KA contents or polymer contents in the gel. PH values in poloxamer gels were ranged from 1.3 to 2.0, which are interpreted as low or negligible irritation on skin. There was a good correlation between the log value of flux in drug release and PII value in skin irritation. It was possible to conclude that the poloxamer gels containing KA might be a good candidate for an antimelanogenic topical delivery system by virtue of the controlled release of the drug and the reduced skin irritancy.

• Journal of Ginseng Research
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• 제47권3호
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• pp.390-399
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• 2023

Background: Gintonin (GT), a Panax ginseng-derived lysophosphatidic acid receptor (LPAR) ligand, has positive effects in cultured or animal models for Parkinson's disease, Huntington's disease, and so on. However, the potential therapeutic value of GT in treating epilepsy has not yet been reported. Methods: Effects of GT on epileptic seizure (seizure) in kainic acid [KA, 55mg/kg, intraperitoneal (i.p.)]-induced model of mice, excitotoxic (hippocampal) cell death in KA [0.2 ㎍, intracerebroventricular (i.c.v.)]-induced model of mice, and levels of proinflammatory mediators in lipopolysaccharide (LPS)-induced BV2 cells were investigated. Results: An i.p. injection of KA into mice produced typical seizure. However, it was significantly alleviated by oral administration of GT in a dose-dependent manner. An i.c.v. injection of KA produced typical hippocampal cell death, whereas it was significantly ameliorated by administration of GT, which was related to reduced levels of neuroglial (microglia and astrocyte) activation and proinflammatory cytokines/enzymes expression as well as increased level of the Nrf2-antioxidant response via the upregulation of LPAR 1/3 in the hippocampus. However, these positive effects of GT were neutralized by an i.p. injection of Ki16425, an antagonist of LPA1-3. GT also reduced protein expression level of inducible nitric-oxide synthase, a representative proinflammatory enzyme, in LPS-induced BV2 cells. Treatment with conditioned medium clearly reduced cultured HT-22 cell death. Conclusion: Taken together, these results suggest that GT may suppress KA-induced seizures and excitotoxic events in the hippocampus through its anti-inflammatory and antioxidant activities by activating LPA signaling. Thus, GT has a therapeutic potential to treat epilepsy.

• 멤브레인
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• 제1권1호
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• pp.44-54
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• 1991

가교제의 양과 희석용매의 종류(톨루엔, 시클로헥산, 시클로-핵산올) 및 희석용매의 비에 따라 양이온 교환막인 술폰화 폴리스티렌-디비닐벤젠 공중합체 분리막을 합성한 후 특성화하고, pH와 초기농도의 변화에 따른 유기산 투과량의 변화를 고찰하였다. 제조한 막은 가교제의 양이 감소할수록, 단량체 용액의 희석정도가 클수록 함수율과 이온교환용량은 증가하는 경향을 보였다. 희석용매로는 시클로헥산올을 사용한 막이 다른 용매를 사용한 막에 비해 더욱 다공질이고 큰 함수율과 이온교환용량을 보였다. 유기산의 투과실험에서는 수용액상의 포름산, 아세트산과 같은 카르복시산은 pH가 pKa보다 낮아질수록 투과량이 증가하였으며, 아미노산인 L-알라닌은 등전점 pH에서 투과량의 최소치를 나태내었다. 한편, 모든 유기산에 대하여 초기농도 증가에 따른 플럭스의 변화는 전형적인 포화속도론적 경향을 나타내었다.

• Bulletin of the Korean Chemical Society
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• 제28권2호
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• pp.271-275
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• 2007

γ -Glutamyl transpeptidase (EC 2.3.2.2) plays a key role in glutathione metabolism by catalyzing the transfer of the γ -glutamyl residue and hydrolysis of glutathione. The functional residues at the active site of the rat kidney γ -glutamyl transpeptidase were investigated by kinetic studies at various pH, the treatment of diethylpyrocarbonate (DEPC), and photooxidation in presence of methylene blue. An ionizable group affecting the enzymatic activity with an apparent pKa value of 7.1, which is in the range of pKa values for a histidine residue in protein, was obtained by examining the pH-dependence of kinetic parameters. The pH effect on the photoinduced inactivation rate of the enzyme corresponds to that expected for the photooxidation of the free histidine. The involvement of a histidine in the catalytic site of the enzyme was further supported by DEPC modification accompanied by an increase in absorbance at 240 nm, indicating the formation of Ncarbethoxyhistidine. The histidine located at the position of 382 in the precursor of the enzyme is primarily suspected based on the amino acid sequence alignment of the transpeptidases from various organisms.

• 암석학회지
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• 제25권3호
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• pp.241-252
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• 2016

이 논문에서는 K-장석 $pIR-IRSL_{290}$ 연대측정법의 한반도 해안-하안단구 퇴적층의 연대측정 적용가능성을 알아보기 위하여, 다양한 환경(해성, 하성, 풍성)에서 형성된 한반도 해안-하안단구 시료들의 K-장석 $pIR-IRSL_{290}$, $IRSL_{50}$, 석영 OSL 신호특성을 살펴보고, 경북 울진군 노음리 하안단구 퇴적층과 구산단층 퇴적물에 대한 연대측정을 실시하였다. 연구에 사용된 27개의 시료들에 대한 K-장석 $pIR-IRSL_{290}$ 신호의 $2D_0$ 값은 평균적으로 약 700 Gy로, $IRSL_{50}$ 신호의 $2D_0$ 값과 유사하였으며, 석영 OSL 신호의 $2D_0$ 값(약 250 Gy) 보다는 3배 정도 높았다. 일부 시료에 대한 K-장석 $pIR-IRSL_{290}$, $IRSL_{50}$, 석영 OSL 연대측정 결과, K-장석 $pIR-IRSL_{290}$ 연대는, $IRSL_{50}$ 및 석영 OSL 연대보다 상당히 높았다. 이는 퇴적과정동안 장시간 햇빛에 노출되어도 제거되지 않는(unbleachable) $pIR-IRSL_{290}$ 신호에서 기인했을 가능성이 있다. 경북 울진군 노음리의 하안단구 퇴적층과 구산단층 퇴적층에서 분리한 K-장석 $pIR-IRSL_{290}$ 신호와 석영 OSL 신호도 모두 방사선포화상태에 있어, 정확한 퇴적연대를 측정하는데 한계가 있었다. 하지만, 각 신호의 성장곡선으로부터 얻은 $2D_0$ 값은 노음리 하안단구 퇴적층은 109-140 ka 이전, 구산단층에 의해 절단된 퇴적층은 적어도 100-105 ka 이전에 형성되었을 가능성을 강력히 시사한다. 이 결과는, 기존 ~40-50 ka의 석영 OSL 신호를 기반으로 한 구산단층 퇴적층의 연대가 방사선포화현상에 의해 과소평가된 연대임을 의미한다.

• 한국연초학회지
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• 제27권2호
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• pp.219-225
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• 2005

Characterizing nicotine delivery from tobacco products is important in the understanding of their addictive potential. Most previous studies report total nicotine and have not differentiated between nicotine in its protonated or free-base form. The amount of free nicotine calculated by determining pH and nicotine contents. The pH and nicotine contents in smokeless tobacco product, tobacco products and tobacco leaves were analyzed by Health Canada-Official Method T-310 and CORESTA Recommended Method $N^{\circ}62$. The content of free nicotine was calculated according to the Henderson-Hasselbalch equation and the value of $\alpha_{fb}$(the fraction of nicotine that is in the free base form) by using a pKa value of 8.02 for nicotine. The percentage of free nicotine then was calculated by dividing the free nicotine content by total nicotine content. The pH value and percentage of free nicotine ranged from 5.01 to 5.45 and $0.10\%\;to\;0.27\%$ in cut tobacco and 5.10 to 7.10 and $0.12\%\;to\;10.73\%$ in tobacco leaves, respectively.