• 제목/요약/키워드: Site Constants

검색결과 128건 처리시간 0.029초

Chemical Modification of Serratia marcescens Catabolic ${\alpha}-Acetolactate$ Synthase

  • Joo, Han-Seung;Kim, Soung-Soo
    • BMB Reports
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    • 제31권2호
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    • pp.139-143
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    • 1998
  • The catabolic ${\alpha}-acetolactate$ synthase purified from Serratia marcescens ATCC 25419 was rapidly inactivated by the tryptophane-specific reagent, N -bromosuccinimide, and the arginine-specific reagent, phenylglyoxal. The enzyme was inactivated slowly by the cysteine-specific reagent N-ethylmaleimide. The second-order rate constants for the inactivation by N-bromosuccinimide, phenylglyoxal. and N -ethylmaleimide were $114,749M^{-1}min^{-1}$, $304.3M^{-1}min^{-1}$, and $5.1M^{-1}min^{-1}$, respectively. The reaction order with respect to N-bromosuccinimide, phenylglyoxal, and N-ethylmaleimide were 1.5,0.71, and 0.86, respectively. The inactivation of the catabolic aacetolactate synthase by these modifying reagents was protected by pyruvate. These results suggest that essential tryptophane, arginine, and cysteine residues are located at or near the active site of the catabolic ${\alpha}-acetolactate$ synthase.

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The Role of Lys-228 Residue in Horse Liver Alcohol Dehy-drogenase Activity

  • Cho, Sun-Hyoung;Ryu, Ji-Won;Lee, Kang-Man
    • Archives of Pharmacal Research
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    • 제18권2호
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    • pp.100-104
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    • 1995
  • Lys-228 in horse liver alcohol dehydrogenase isoenzyme E(HLADH-E) was mutated to glycineby site-directed mutagenesis. The specific activity of the mutant enzyme was increased about 4-fold nad Michaelis constants for $NAD^+(K_a){\;}and{\;}NADH(K_q)$ increased by about 350-and 50-fold, respectively. The wild-type enzyme and K228TG mutant enzyme were treated with ethylacetimidate. Acetimidylation of the wild-type enzyme increased the activity about 10-fold, but the mutant enzyme ws little affected. These results confirm that Lys-228 residue plays an important role in the activity of the enzyme through forming the hydrogen bond with adenosine ribose of $NAD^+$.

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Molecular Dynamics Simulation Studies of Benzene, Toluene, and p-Xylene in NpT Ensemble: Thermodynamic, Structural, and Dynamic Properties

  • Kim, Ja-Hun;Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • 제23권3호
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    • pp.447-453
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    • 2002
  • In this paper we have presented the results of thermodynamic, structural, and dynamic properties of model systems for liquid benzene, toluene and p-xylene in an isobaric-isothermal (NpT) ensemble at 283.15, 303.15, 323.15, and 343.15 K using molecular dynamics (MD) simulation. This work is initiated to compensate for our previous canonical (NVT) ensemble MD simulations [Bull. Kor. Chem. Soc. 2001, 23, 441] for the same systems in which the calculated pressures were too low. The calculated pressures in the NpT ensemble MD simulations are close to 1 atm and the volume of each system increases with increasing temperature. The first and second peaks in the center of mass g(r) diminish gradually and the minima increase as usual for the three liquids as the temperature increases. The three peaks of the site-site gC-C(r) at 283.15 K support the perpendicular structure of nearest neighbors in liquid benzene. Two self-diffusion coefficients of liquid benzene via the Einstein equation and via the Green-Kubo relation are in excellent agreement with the experimental measures. The self-diffusion coefficients of liquid toluene and p-xylene are in accord with the trend that the self-diffusion coefficient decreases with increasing number of methyl group. The friction constants calculated from the force auto-correlation (FAC) function with the assumption that the fast random force correlation ends at time which the FAC has the first negative value give a correct qualitative trends: decrease with increase of temperature and increase with the number of methyl group. The friction constants calculated from the FAC's are always less than those obtained from the friction-diffusion relation which reflects that the random FAC decays slower than the total FAC as described by Kubo [Rep. Prog. Phys. 1966, 29, 255].

Dibucaine Inhibition of Serum Cholinesterase

  • Elamin, Babiker
    • BMB Reports
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    • 제36권2호
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    • pp.149-153
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    • 2003
  • The dibucaine number (DN) was determined for serum cholinesterase (EC 3.1.1.8, SChE) in plasma samples. The ones with a DN of 79-82 were used, because they had the "usual" SChE variant. The enzyme was assayed colorimetrically by the reaction of 5,5'-dithiobis-[2-nitrobenzoic acid] (DTNB) with the free sulfhydryl groups of thiocholine that were produced by the enzyme reaction with butrylthiocholine (BuTch) or acetylthiocholine (AcTch) substrates, and measured at 412 nm. Dibucaine, a quaternary ammonium compound, inhibited SChE to a minimum within 2 min in a reversible manner. The inhibition was very potent. It had an $IC_{50}$ of $5.3\;{\mu}M$ with BuTch or $3.8\;{\mu}M$ with AcTch. The inhibition was competitive with respect to BuTch with a $K_i$ of $1.3\;{\mu}M$ and a linear-mixed type (competitive/noncompetitive) with respect to AcTch with inhibition constants, $K_i$ and $K_I$ of 0.66 and $2.5\;{\mu}M$, respectively. Dibucaine possesses a butoxy side chain that is similar to the butryl group of BuTch and longer by an ethylene group from AcTch. This may account for the difference in inhibition behavior. It may also suggest the existence of an additional binding site, other than the anionic binding site, and of a hydrophobic nature.

GBⅠ-Ⅱ 와 관련된 Cyclic Peptide 들의 합성과 단백질 분해 효소에 대한 저해활성 연구 (Synthesis of Cyclic Peticdes Related to GBⅠ-Ⅱand Study of Their Inhibitory Activity for Proteinases)

  • 강신원;허남원
    • 대한화학회지
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    • 제34권3호
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    • pp.288-296
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    • 1990
  • GBⅠ-Ⅱ의 antielastic 고리과 LBI의 antitryptic 고리는 $P_1$ 위치의 아미노산 잔기만 차이가 있으며 나머지 모든 아미노산 잔기는 동일하다. Inhibitor의 $P_1$을 키모트립신에 효과적인 특이성이 있다고 알려진 Tyr 잔기로 치환시킨 cyclic nonapeptide와 저해작용에 필수적으로 생각되는 5개의 아미노산 잔기만으로 선정된 cyclic pentapeptide 유도체를 액상법으로 합성하였다. 이들 펩티드 유도체를 3종의 단백질 분해효소에 작용시켜 그 저해활성을 측정한 결과 cyclic nonapeptide는 키모트립신에는 저해작용이 없었고 의외로 에라스타제와 트립신에 저해활성이 있었다. 또한 cyclic pentapeptide는 키모트립신에만 저해활성이 있었다.

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도로포장 유지보수 공사비산정기준 개정에 대한 연구 (A Study on Revising Construction Cost Calculation for Road Paving Maintenance Work)

  • 오재훈;안방율
    • 한국건축시공학회:학술대회논문집
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    • 한국건축시공학회 2020년도 봄 학술논문 발표대회
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    • pp.155-156
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    • 2020
  • Unlike new construction projects, road paving maintenance work shows large productivity discrepancies depending on the conditions of the worksite. The current construction cost calculation scheme, however, only provides daily construction volume categorized by work scope and scale: There are no detailed standards that can be implemented on various types of worksites. To develop standards that enable the calculation of appropriate construction costs by taking into account worksite conditions, the current study conducted on-site surveys and interviews. The on-site research and analysis revealed that location, construction width, the day's worksite lot, work scope, and construction objectives were found to cause differences in construction volume. In addition to the existing work scope and work scape variables, the current study added weight constants reflecting the daily work volume based on movement conditions at site and the size of the worksite lot. In this process, the current study found that even one type of construction project can have fifteen different levels of daily construction volume. Such detailed classification was deemed to enable the proper calculation of construction costs based on worksite conditions.

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치환기를 가진 일곱 자리 질소-산소(N4O3)계 리간드 합성과 전이금속(II) 이온 착물의 안정도상수 결정 (Synthesis of Heptadentate Nitrogen-Oxygen Ligands (N4O3) with Substituting Groups and Determination of Stability Constants of Their Transition Metal(II) Complexes)

  • 김선덕;이도협;설종민
    • 대한화학회지
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    • 제54권5호
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    • pp.541-550
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    • 2010
  • 새로운 일곱 자리 질소-산소($N_4O_3$)계 리간드 N,N'-Bis(2-hydroxybenzyl)-1,3-bis[(2-aminoethyl)amino]-2-propanol(H-BAP 4HCl)를 합성하였다. H-BAP 4HCl의 페놀 수산기의 para위치에 브롬, 염소, 메톡 시기 및 메틸기를 가진 Br-BAP 4HCl, Cl-BAP 4HCl, $CH_3O$-BAP 4HCl 및 $CH_3$-BAP 4HCl 염산염을 합성 하였다. 각 리간드의 화학구조는 C, H, N 원소분석법, $^1H$-NMR 및 $^{13}C$-NMR 분광법, 적외선 분광법 및 질량분석법을 통하여 확인하였다. 합성된 $N_4O_3$계 리간드의 전위차 적정 법을 이용하여 계산된 양성자 단계 해리상수는 여섯 단계의 해리상수(${\logK_n}^H$)값을 나타내었고, 각 리간드의 양성자 총괄 해리상수($log{\beta}_p$) 값은 Br-BAP < Cl-BAP < H-BAP < $CH_3O$-BAP < $CH_3$-BAP의 순서로 para Hammett 치환기상수($\sigma_p$) 값의 순서와 역순으로 잘 일치하였다. 각 리간드들과 전이금속(II) 이온들의 착물 안정도상수($logK_{ML}$) 값의 크기순서는 Co(II) < Ni(II) < Cu(II) > Zn(II) > Cd(II) > Pb(II)로 나타났다. 이때 각 리간드들과 전이금속(II) 이온들의 착물 안정도상수 값은 리간드의 총괄 해리상수 값의 크기순서와 같은 경향을 나타내었다.

Drug-Biomacromolecule Interaction XII: Comparative binding study of sulfaethidole to bovine serum albumin by equilibrium dialysis, fluorescence probe technique, uv difference spectrophotometry and circular dichroism

  • Kim, Chong-Kook;Chun, Yang-Sook;Lah, Woon-Lyong
    • Archives of Pharmacal Research
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    • 제12권3호
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    • pp.160-165
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    • 1989
  • Binding of sulfaethidole to bovine serum albumin was studied by equilibrium dialysis, fluorescence probe technique, uv difference spectrophotometry and circular dichroism. Equilibrium dialysis method enabled us to estimate the total number of drug binding sites of albumin molecule. For sulfaethidole, albumin had 6 primary and 40 secondary binding sites. The primary and secondary binding constants were 0.9 * 10/sup 5/ M/sup -1/ and 0.2 * 10/sup 6/ M/sup -1/, respectivitely. 1-Anilino-8-naphthalenesulfonate (ANS) and 2-(4-hydroxylbenzeneazo)- benzoic acid (HBAB) were used as the fluorescence probe and the uv spectrophotometric probe, respectively. In fluorescence probe technique, results indicated that the number of higher affinity drug binding site of albumin was 1 and the number of lower affinity drug binding sites of albumin was 3, and the primary and secondary drug binding constants for bovine serum albumin were 2.15 * 10/sup 5/M/sup -1/ and 1.04 * 10/sup 5/ M/sup -1/, respectively. In uv difference spectrophotometry, binding sites were 3 and binding constant was 1.88 * 10/sup 5/M/sup -1/. The above spectrophotometry, binding sites were 3 and binding constant was 1.88 * 10/sup 5/M/sup -1/. The above results suggest that several different methods should be used in ompensation for insufficient information about drug binding to albumin molecule given by only one method.

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물리검층에 의한 파쇄대 인식과 동적 지반정수의 산출 (Application of geophysical well logging to fracture identification and determination of in-situ dynamic elastic constants.)

  • 황세호;이상규
    • 한국지구물리탐사학회:학술대회논문집
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    • 한국지구물리탐사학회 1999년도 제2회 학술발표회
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    • pp.156-175
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    • 1999
  • 물리검층은 최근에 토목지반조사분야에 대한 활용성이 증가하고 있다. 이것은 물리 검층이 시추공 내에서 분해능 높은 다양한 원위치 물성정보를 제공할 수 있는 장점이 있기 때문이다. 현재 토목지반조사분야에서 적용되고 있는 것은 주로 암상구분, 파쇄대 인식과 동탄성계수의 산출, 지하수흐름검층 등이다. 이와 관련하여 최근에 활용성이 증가하는 물리검층법에 대한 소개와 지반조사와 관련한 물리검층 사례, 그리고 완전파형음파검층에 의한 탄성파 속도와 암반분류와 관계에 대한 사례를 소개한다.

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Sorption of Np(IV) on MX-80 in Ca-Na-Cl Type Reference Water of Crystalline Rock

  • Nagasaki, Shinya
    • 방사성폐기물학회지
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    • 제19권1호
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    • pp.1-7
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    • 2021
  • The pH dependence of sorption distribution coefficient (Kd) of Np(IV) on MX-80 in Ca-Na-Cl type solution with the ionic strength of 0.3 M, which was similar to one of the reference groundwaters in crystalline rock, was experimentally investigated under the reducing conditions. The overall trend of Kd on MX-80 was independent of pH at 5 ≤ pH ≤ 10 but increased as pH increased at pH ≤ 5. The 2-site protolysis non-electrostatic surface complexation and cation exchange model was applied to the experimentally measured pH dependence of Kd and the optimized surface complexation constants of Np(IV) sorption on MX-80 were estimated. The values of surface complexation constants in this work agreed relatively well with those in the Na-Ca-Cl solution previously evaluated, suggesting that compared to Na+, the competition of Ca2+ with Np(IV) for surface complexation on MX-80 was not much strong in Ca-Na-Cl solution. The sorption model well predicted the pH dependence of Kd values but slightly overestimated the sorption at the low pH region.