• 제목/요약/키워드: reaction pathway

검색결과 544건 처리시간 0.031초

Construction of Comprehensive Metabolic Network for Glycolysis with Regulation Mechanisms and Effectors

  • JIN, JONG-HWA;JUNG, UI-SUB;JAE, WOOK-NAM;IN, YONG-HO;LEE, SANG-YUP;LEE, DOHE-ON;LEE, JIN-WON
    • Journal of Microbiology and Biotechnology
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    • 제15권1호
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    • pp.161-174
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    • 2005
  • Abstract Glycolysis has a main function to provide ATP and precursor metabolites for biomass production. Although glycolysis is one of the most important pathways in cellular metabolism, the details of its regulation mechanism and regulating chemicals are not well known yet. The regulation of the glycolytic pathway is very robust to allow for large fluxes at almost constant metabolite levels in spite of changing environmental conditions and many reaction effectors like inhibitors, activating compounds, cofactors, and related metal ions. These changing environmental conditions and metabolic reaction effectors were focused on to understand their roles in the metabolic networks. In this study, we have investigated for construction of the regulatory map of the glycolytic metabolic network and tried to collect all the effectors as much as possible which might affect the glycolysis metabolic pathway. Using the results of this study, it is expected that a complex metabolic situation can be more precisely analyzed and simulated by using available programs and appropriate kinetic data.

PHOTOCHEMICAL REACTIONS OF PSEUDOSACCHARIN 3-ALLYL ETHER (PROBENAZOLE) AND ITS ALKYL ETHER

  • Yoon, Ung-Chan
    • Journal of Photoscience
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    • 제2권2호
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    • pp.77-81
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    • 1995
  • Photoreactions of pseudosaccharin ethers have been investigated. Pseudosaccharin 3-allyl ether undergoes a facile photoreaction via reaction pathways involving homolysis of bond between pseudosaccharyl oxygen and 3-allyl carbon, and excited nucleophilic substitution of allyloxy group by solvent which are not quenched by oxygen present in the reaction. Product yield demonstrates that the homolysis pathway predominates over the nucleophilic substitution in ca. 7:1 ratio. In contrast, pseudosaccharin alkyl ethers follow different reaction routes to produce two products, solvent-substituted pseudosaccharin alkyl ethers and reduction products, 3-alkoxy-1, 2-benzisothiazoles. The formations of reduction products, 3-alkoxy-1, 2-benzisothiazoles are completely quenched by oxygen.

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Density Functional Theory Study of Competitive Reaction Pathways of Ti+ with Fluorinated Acetone in the Gas Phase

  • Hong, Ki-Ryong;Kim, Tae-Kyu
    • Journal of the Korean Chemical Society
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    • 제56권1호
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    • pp.14-19
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    • 2012
  • We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between $Ti^+$ and $CF_3COCH_3$ for two plausible reaction pathways, $TiF_2^+$ and $TiO^+$ formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how $Ti^+$ activates $CF_3COCH_3$ and produces $TiF_2^+$ and $TiO^+$ as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between $Ti^+$ and $CF_3COCH_3$.

Solvolysis of 2-Phenylethyl Benzenesulfonates in Methanol-Water Mixtures

  • Han, Goang-Lae;Park, Jin-Ha;Lee, Ik-Choon
    • Bulletin of the Korean Chemical Society
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    • 제8권5호
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    • pp.393-398
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    • 1987
  • Solvolyses of 2-phenylethyl benzenesulfonates have been studied in methanol-water mixtures. Cross interaction constants, $\rho_{YZ}$, between substituents Y in the substrate and Z in the leaving group indicated somewhat closer distance between the two substituents than expected for the reaction system, which supported the involvment of phenyl group assisted pathway in the solvolysis. A smaller magnitude of $\rho_{YZ}$for MeOH was interpreted as the enhencement of solvent assisted pathway since MeOH is more nucleophilic than $H_2O$. Other selectivity parameters, Winstein coefficient m, Hammett's $\rho_Y^{+_Y}$ and $\rho_Z$, as well as activation parameters supported the participation of aryl assisted and aryl unassisted pathways in the $S_{N^2}$ process of the solvolysis reaction.

Reaction of Gas-Phase Bromine Atom with Chemisorbed Hydrogen Atoms on a Silicon(100)-(2${\times}$1) Surface

  • Lee, Jong Baek;Jang, Gyeong Sun;Mun, Gyeong Hwan;Kim, Yu Hang
    • Bulletin of the Korean Chemical Society
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    • 제22권8호
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    • pp.889-896
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    • 2001
  • The reaction of gas-phase atomic bromine with highly covered chemisorbed hydrogen atoms on a silicon surface is studied by use of the classical trajectory approach. It is found that the major reaction is the formation of HBr(g), and it proceeds th rough two modes, that is, direct Eley-Rideal and hot-atom mechanism. The HBr formation reaction takes place on a picosecond time scale with most of the reaction exothermicity depositing in the product vibration and translation. The adsorption of Br(g) on the surface is the second most efficient reaction pathway. The total reaction cross sections are $2.53{\AA}2$ for the HBr formation and $2.32{\AA}2$ for the adsorption of Br(g) at gas temperature 1500 K and surface temperature 300 K.

Application of the Extended Grunwald-Winstein Equation to the Solvolyses of 4-(Chlorosulfonyl)biphenyl

  • Kang, Suk Jin;Koh, Han Joong
    • Journal of the Korean Chemical Society
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    • 제61권1호
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    • pp.25-28
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    • 2017
  • Solvolyses with the reaction center being the sulfur of 4-(chlorosulfonyl)biphenyl ($C_6H_5C_6H_4SO_2Cl$, 1) was studied under solvolytic conditions and the extended Grunwald-Winstein equation was applied. The thirty five kinds of solvents gave a reasonable extended Grunwald-Winstein plot with a correlation coefficient (R) of 0.940. The sensitivity values (l = 0.60 and m = 0.47) of 1 were smaller than those obtained for benzenesulfonyl chloride ($C_6H_5SO_2Cl$, 2; l = 1.10 and m = 0.61) proposed to undergo dissociative $S_N2$ mechanism. These l and m values for the solvolyses of 1 can be considered to support a $S_N2$ pathway with some ionization reaction. The activation parameters, ${\Delta}H^{\neq}$ and ${\Delta}S^{\neq}$, were determined and they are also in line with values expected for a bimolecular reaction. The kinetic solvent isotope effect (KSIE) of 1.26 is also in accord with a bimolecular mechanism, probably assisted by general-base catalysis.

Evaluation of Bromate Formation Pathway by Ozonation in Domestic Raw Waters (국내 수계 원수에서 오존공정에 의한 브로메이트 생성 경로 평가)

  • Lee, Kyung-Hyuk;Lim, Jae-Lim;Park, Sang-Yeon;Kim, Seong-Su;Kang, Joon-Wun
    • Journal of Korean Society of Water and Wastewater
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    • 제20권6호
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    • pp.905-910
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    • 2006
  • In order to evaluate the optimum operation condition of ozonation to minimize bromate formation, based on the NOM characteristics of raw waters, the pathway of bromate formation by ozonation in domestic raw waters was investigated. Considering the bromate formation reactions, the fractions of bromate formation from bromide by OH radical and molecular ozone were calculated with measured values of ozone decay rate ($k_c$) and Rct. The results showed that molecular ozone is more important role in the formation of bromate in domestic raw waters than OH radical. The ratio of bromide oxidation reaction by molecular ozone ranged 73~88%. Fractions of $HOBr/OBr^-$ reaction with both molecular ozone and OH radical were also determined. OH radical reaction with $HOBr/OBr^-$ was dominant. The differential equations based on the stoichiometry of bromate formation were established to predict the formation rate of bromate by ozonation. The results shows good correlation with experimental results.

Metabolic Engineering of Nonmevalonate Pathway in Escherichia coli Enhances Lycopene Production

  • Kim, Seon-Won;J.D. Keasling
    • Proceedings of the Korean Society for Applied Microbiology Conference
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    • 한국미생물생명공학회 2001년도 Proceedings of 2001 International Symposium
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    • pp.141-145
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    • 2001
  • Isopentenyl diphosphate (IPP) is the common, five-carbon building block in the biosynthesis of all carotenoids. IPP in Escherichia coli is synthesized through the non-mevalonate pathway. The first reaction of IPP biosynthesis in E. coli is the formation of l-deoxy-D-xylulose-5-phosphate (DXP), catalyzed by DXP synthase and encoded by dxs. The second reaction in the pathway is the reduction of DXP to 2-C-methyl-D-erythritol-4-phosphate, catalyzed by DXP reductoisomerase and encoded by dxr. To determine if one or more of the reactions in the non-mevalonate pathway controlled flux to IPP, dxs and dxr were placed on several expression vectors under the control of three different promoters and transformed into three E. coli strains (DH5$\alpha$, XL1-Blue, and JMl0l) that had been engineered to produce lycopene. Lycopene production was improved significantly in strains transformed with the dxs expression vectors. When the dxs gene was expressed from the arabinose-inducible araBAD promoter ( $P_{BAD}$) on a medium-copy plasmid, lycopene production was 2-fold higher than when dxs was expressed from the IPTG-inducible trc and lac promoters ( $P_{trc}$ and $P_{lac}$, respectively) on medium-copy and high-copy plasmids. Given the low final densities of cells expressing dxs from IPTG-inducible promoters, the low lycopene production was probably due to the metabolic burden of plasmid maintenance and an excessive drain of central metabolic intermediates. At arabinose concentrations between 0 and 1.33 roM, cells expressing both dxs and dxr from $P_{BAD}$ on a medium-copy plasmid produced 1.4 - 2.0 times more lycopene than cells expressing dxs only. However, at higher arabinose concentrations lycopene . production in cells expressing both dxs and dxr was lower than in cells expressing dxs only. A comparison of the three E. coli strains transformed with the arabinose-inducible dxs on a medium-copy plasmid revealed that lycopene production was highest in XLI-Blue.LI-Blue.

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Pathway Analysis in HEK 293T Cells Overexpressing HIV-1 Tat and Nucleocapsid

  • Lee, Min-Joo;Park, Jong-Hoon
    • Journal of Microbiology and Biotechnology
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    • 제19권10호
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    • pp.1103-1108
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    • 2009
  • The human immunodeficiency virus (HIV)-l protein Tat acts as a transcription transactivator that stimulates expression of the infected viral genome. It is released from infected cells and can similarly affect neighboring cells. The nucleocapsid is an important protein that has a related significant role in early mRNA expression, and which contributes to the rapid viral replication that occurs during HIV-1 infection. To investigate the interaction between the Tat and nucleocapsid proteins, we utilized cDNA micro arrays using pTat and flag NC cotransfection in HEK 293T cells and reverse transcription-polymerase chain reaction to validate the micro array data. Four upregulated genes and nine downregulated genes were selected as candidate genes. Gene ontology analysis was conducted to define the biological process of the input genes. A proteomic approach using PathwayStudio determined the relationship between Tat and nucleocapsid; two automatically built pathways represented the interactions between the upregulated and downregulated genes. The results indicate that the up- and downregulated genes regulate HIV-1 replication and proliferation, and viral entry.

Estimation of Theoretical Yield for Ethanol Production from D-Xylose by Recombinant Saccharomyces cerevisiae Using Metabolic Pathway Synthesis Algorithm

  • Lee, Tae-Hee;Kim, Min-Young;Ryu, Yeon-Woo;Seo, Jin-Ho
    • Journal of Microbiology and Biotechnology
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    • 제11권3호
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    • pp.384-388
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    • 2001
  • The metabolic pathway synthesis algorithm was applied to estimate the maximum ethanol yield from xylose in a model recombinant Saccharomyces cerevisiae strain containing the genes involved in xylose metabolism. The stoichiometrically independent pathways were identified by constructing a biochemical reaction network for conversion of xylose to ethanol in the recombinant S. cerevisiae. Two independent pathways were obtained in xylose-assimilating recombinant S. cerevisiae as opposed to six independent pathways for conversion of glucose to ethanol. The maximum ethanol yield from xylose was estimated to be 0.46 g/g, which was lower than the known value of 0.51 g/g for glucose-fermenting and wild-type xylose-fermenting yeasts.

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