• Title/Summary/Keyword: chemical mechanism

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Kinetics and Mechanism of Mutant O-acetylserine Sulfhydrylase-A (C43S) from Salmonella typhimurium LT-2

  • Yoon, Moon-Young
    • BMB Reports
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    • v.29 no.3
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    • pp.210-214
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    • 1996
  • The pH dependence of the kinetic parameters of mutant O-acetylserine sulfhydrylase (OASS) from Salmonella typhimurium LT-2 has been determined in order to obtain information on the chemical mechanism. The initial velocity pattern obtained by varying the concentrations of OAS at several fixed concentrations of TNB, shows an intersection on the left of the ordinate at pH 7.0, indicating that the kinetic mechanism is a sequential mechanism in which substrate inhibition by OAS is observed while the wild type enzyme showed a ping pong mechanism. The values of $V/E_t$, $V/K_{OAS}E_{t}$ and $V/K_{TNB}E_{t}$ decreased by about 68%, 14% and 16% as compared with the wild type enzyme. The $V/K_{OAS}E_{t}$ is a pK of 6.5 on the acid side of the pH profile, and the $V/K_{TNB}$ is pH independent. As compared with the wild type enzyme, the pKs in the V/K profiles are shifted, reflecting that binding of the cofactor in free E:OAS is less asymmetric.

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QM/MM-MD Simulation을 통한 수용액 상에서의 Formamide Hydrolysis Mechanism 연구

  • Baek, Yong-Su;Choe, Cheol-Ho
    • Proceeding of EDISON Challenge
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    • 2014.03a
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    • pp.141-155
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    • 2014
  • Peptide bond hydrolysis는 세포 내외의 생화학반응에 있어서 핵심이다. 하지만 amide Hydrolysis Mechanism은 아직 명확하게 규명되지 않았다. pH가 중성인 물에서의 비 촉매 가수분해가 발생하는 몇몇 실험적 증거가 있지만, 해당 반응 매커니즘은 4 가지(non-assisted concerted, non-assisted step-wise, assisted concerted, assisted step-wise)로 여전히 논란이 있다. 이번 연구에서는, Formamide의 가능한 Hydrolysis Mechanism을 자세히 연구해보고자 한다. 먼저, Ab-initio 계산을 통해 4가지 반응 메커니즘의 다시 한번 확인하고, quantum chemical calculations과 quantum mechanical molecular dynamic이 결합된 (QMMD) simulation을 통하여 water solvent에서의 반응 메커니즘의 에너지관계를 규명하였다. 결론적으로 아직 계산이 끝나지 않은 supported concerted mechanism을 제외한 모든 계산에서 non-supported, supported 두 system 모두에서 step-wise가 일어나기 쉬웠고, non-supported 보다 supported mechanism이 선호됨을 보였다. Intermediate인 amino-gem-diol의 수용액 상에서 안정화 또한 나타났다. 이는 Ab-initio 계산만 통해서는 정확하게 산출할 수 없는 엔트로피의 영향을 잘 보여준다.

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Investigation of Spalling Mechanism in High Performance Concrete Subjected to Fire (고성능 콘크리트의 화재시 폭렬성상에 관한 메카니즘 고찰)

  • Han, Min-Cheol;Kim, Seong-Hwan;Park, Yong-Kyu;Heo, Young-Sun;Han, Cheon-Goo
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2006.11a
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    • pp.99-102
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    • 2006
  • This paper reviews the relevant literatures and investigates spalling mechanism of high strength concrete, in order to clearly inform spalling problem in fire. Firstly, we studies literatures on spalling occurrence and resistance methods. Secondly chemical change of concrete components in elevated temperature was presented. Finally, mechanism of the spalling occurrence and spalling resistance were carried out with fiber content. In addition, our research team introduced spalling mechanism, being different from other points of view, which has been generally accepted. To secure this mechanism theory, we investigate spalling properties of certain specimens fabricated by roller spindle and made with mortar or concrete condition.

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Sorption Behavior and Mechanism of Phosphate onto Natural Magnesite

  • Xie, Fazhi;Hu, Tingting;Oh, Won-Chun;Sheng, Dandan;Li, Haibin;Wang, Xuechun;Xie, Zhiyong;Li, Guolian;Han, Xuan;Xie, Wenjie;Sun, Mei
    • Korean Journal of Materials Research
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    • v.27 no.3
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    • pp.166-171
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    • 2017
  • Removal of phosphate from environmental water has become more important to prevent eutrophication. In the present study, sorption behavior of phosphate onto magnesite was investigated under different conditions. The optimum pH of phosphate adsorption was determined to be 6.0. The adsorption capacity was found to decrease with increasing temperature, which indicates that a low temperature was beneficial for phosphate adsorption. The sorption capacity for phosphate was found to be 10.2 mg/g at an initial concentration of 100 mg/L and a dose of 2 g/L. The first order kinetic equation and Freundlich isotherm model fit the data well. Phosphate adsorption on magnesite was explained by electrostatic attraction and weak physical interactions.