• Title/Summary/Keyword: kinetic studies

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Suicidal Inhibition Kinetics of MAO by Tranylcypromine Enantiomers (Tranylcypromine 광학이성질체에 의한 MAO 자살억제의 반응속도론)

  • Kang, Gun-Il;Choi, Myung-Hee
    • YAKHAK HOEJI
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    • v.33 no.1
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    • pp.64-71
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    • 1989
  • Since time-dependent inactivation of MAO was found to be complete in a few minutes when high concentration ratios of tranylcypromine to MAO were used, a method to obtain kinetic parameters was sought suitable to the conditions in which concentrations of tranylcypromine analogs did not exceed that of MAO. For the purpose, kinetic equations were derived and the method applied to the kinetic studies of tranylcypromine enantiomers. It was found that (E)-(+)-2-phenylcyclopropylamine inhibited MAO by the mechanism following bimolecular reaction scheme with $\tilde{K}_i$ of $2.0\;{\times}\;10^6M^{-1}min^{-1}$. Whereas, MAO-inhibitory pattern of the (-)-enantiomer was to be interpreted by suicide inhibition scheme and measured $k_{in}\;and\;\tilde{K}'$ were $0.457\;min^{-1}\;and\;$5.4{\mu}M$, respectively.

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Molecular Simulation Studies of Scattered and Penetrated Hydrogen Ions I. Normal Incident Angle to Ni (100) Surface (산란 및 투과된 수소 이온의 분자 전산 연구 I. 니켈 (100) 표면의 직각 입사)

  • Suh, Soong-Hyuck;Min, Woong-Ki
    • Journal of Hydrogen and New Energy
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    • v.11 no.3
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    • pp.127-136
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    • 2000
  • Molecular dynamics simulations have been carried out to investigate the scattering and penetration properties of hydrogen ions with the normal incident angle to Ni (100) surface. The initial kinetic energies of hydrogen ions range from 100 to 1,600 eV. The simulation results are used to assess the applicabilities of theoretical predictions based on the binary collision approximation, and, in the high kinetic regime, theoretical results for scattering energies were shown to he a good agreement with molecular simulations. The angle dependencies on both scattering and penetration distributions were found in the longitudinal direction, but not in the azimuthal direction except for the high kinetic energy of 1,600 eV.

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Theoretical and Experimental Studies on the Kinetics of Cation Redistribution Processes in Complex Oxides

  • Shi, Jianmin;Becker, Klaus-Dieter
    • Journal of the Korean Ceramic Society
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    • v.47 no.1
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    • pp.39-46
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    • 2010
  • The kinetics of cation reequilibration have been studied theoretically and experimentally in complex oxides after an external perturbation of equilibrium by temperature jumps. A general kinetic model for cation redistribution amongst non-equivalent sites in complex oxides is derived based on a local homogeneous point defect mechanism involving cation vacancies. Temperature-jump optical relaxation spectroscopy has been established to investigate cation kinetic processes in spinels and olivines. The kinetic model satisfactorily describes the experimental absorbance relaxation kinetics in cobalt containing olivines and in nickel containing spinels. It is found that the kinetics of cation redistribution in complex oxides shows a strong temperature- and composition-dependence. Activation energies for cation redistribution in Co-Mg olivines are found to range between 200 and 220 kJ/mol whereas an energy barrier of about 230 kJ/mol is observed in the case of nickel gallate spinel.

Adsorption of Cu(II) Ions onto Myristica Fragrans Shell-based Activated Carbon: Isotherm, Kinetic and Thermodynamic Studies

  • Syahiddin, D.S.;Muslim, A.
    • Journal of the Korean Chemical Society
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    • v.62 no.2
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    • pp.79-86
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    • 2018
  • This study reported the adsorption of Cu(II) ions onto activated carbon prepared from Myristica Fragrans shell (MFS AC) over independent variables of contact time, activating chemical (NaOH) concentration, initial adsorbate concentration, initial pH of adsorbate solution and adsorption temperature. The MFS AC structure, morphology and total surface area were characterized by FTIR, SEM and BET techniques, respectively. The Cu(II) ions adsorption on the MFS AC (activated using 0.5 M NaOH) fitted best to Freundlich adsorption isotherm (FAI), and the FAI constant obtained was 0.845 L/g at $30^{\circ}C$ and pH 4.5. It followed the pseudo first order of adsorption kinetic (PFOAK) model, and the PFOAK based adsorption capacity was 107.65 mg/g. Thermodynamic study confirmed the Cu(II) ions adsorption should be exothermic and non-spontaneous process, physical adsorption should be taken place. The total surface area and pore volume based on BET analysis was $99.85m^2/g$ and 0.086 cc/g, respectively.

Kinetics and Mechanism of the Anilinolyses of O-Methyl, O-Propyl and O-Isopropyl Phenyl Phosphonochloridothioates in Acetonitrile

  • Barai, Hasi Rani;Hoque, Md. Ehtesham Ul;Lee, Mijin;Lee, Hai Whang
    • Bulletin of the Korean Chemical Society
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    • v.34 no.4
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    • pp.1096-1100
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    • 2013
  • The kinetic studies on the reactions of O-methyl (1), O-propyl (3) and O-isopropyl (4) phenyl phosphonochloridothioates with substituted anilines and deuterated anilines have been carried out in acetonitrile at $55.0^{\circ}C$. A concerted $S_N2$ mechanism is proposed for the anilinolyses of 1, 3 and 4. The anilinolysis rates of the phosphonochloridothioates are predominantly dependent upon the steric effects over the inductive effects of the two ligands. The deuterium kinetic isotope effects (DKIEs; $k_H/k_D$) are primary normal with 1 and 3, while secondary inverse with 4. Primary normal and secondary inverse DKIEs are rationalized by frontside and backside nucleophilic attack transition state, respectively. The DKIEs of the phosphonochloridothioates do not have any consistent correlations with the two ligands.

A Study on the Flow characteristics in dividing Rectangular ducts (사각분기 덕트내의 유동특성에 관한 연구)

  • 이행남;박길문;이덕구
    • Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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    • 2001.05a
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    • pp.270-275
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    • 2001
  • The characteristics of flow in dividing regions are precise, therefore their classification is very important not only in industry but also in hydrodynamics. By now, many studies of flow in dividing regions have been peformed, but flow characteristics that use visualization In dividing regions have not been studied. The present study of the PIV and the CFD exhibit average velocity distributions, kinetic energy distributions and total pressure distributions etc of the total flow field due to the development of the accurate visualization optical laser and of optical equipment. Also, PIV is accurate with the flows characteristics of the dividing region as continuous analysis is done using input equipment. The study analyzes velocity vector field, turbulence kinetic energy, turbulence viscosity of dividing regions with flow for visualization of the PIV and the CFD measurement in a dividing rectangular ducts.

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The Studies on Substituent and Kinetic Solvent Isotope Effect in Solvolyses of Phenyl Chloroformates

  • 구인선;이지선;양기열;강금덕;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.20 no.5
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    • pp.573-576
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    • 1999
  • The rate constants and kinetic solvent isotope effects (KSIE, KMeOH/kMeOD) for solvolyses of para-substituted phenylchloroformates in CH3OH, CH3OD, H2O, D2O, 50% D2O-CH3OD were determined at 15.0 and 25.0℃ using conductometric method. Kinetic solvent isotope effects for the solvolyses of para-substituted phenyl chloroformates were 2.39-2.51, 2.21-2.28, and 1.67-1.69 for methanol, 50% aqueous methanol, and water, respectively. The slopes of Hammett plot for solvolysis of para-substituted phenyl chloroformates in methanol, 50% aqueous methanol, and water were 1.49, 1.17 and 0.89, respectively. The Hammett type plot of KSIE, log (KSIE) versus p, can be a useful mechanistic tool for solvolytic reactions. The slopes of such straight lines for para-substituted phenyl chloroformates are almost zero in methanol, 50% aqueous methanol, and water. It was shown that the reaction proceeds via an associative SN2 and/or general base catalysis addition-elimination (SAN) mechanism based on activation parameters, Hammett p values, and slopes of Hammett type plot of KS-IE.

Spectral, Electrochemical, Fluorescence, Kinetic and Anti-microbial Studies of Acyclic Schiff-base Gadolinium(III) Complexes

  • Vijayaraj, A.;Prabu, R.;Suresh, R.;Kumari, R. Sangeetha;Kaviyarasan, V.;Narayanan, V.
    • Bulletin of the Korean Chemical Society
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    • v.33 no.11
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    • pp.3581-3588
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    • 2012
  • A new series of acyclic mononuclear gadolinium(III) complexes have been prepared by Schiff-base condensation derived from 5-methylsalicylaldehyde, diethylenetriamine, tris(2-aminoethyl) amine, triethylenetetramine, N,N-bis(3-aminopropyl)ethylene diamine, N,N-bis(aminopropyl) piperazine, and gadolinium nitrate. All the complexes were characterized by elemental and spectral analyses. Electronic spectra of the complexes show azomethine (CH=N) within the range of 410-420 nm. The fluorescence efficiency of Gd(III) ion in the cavity was completely quenched by the higher chain length ligands. Electrochemical studies of the complexes show irreversible one electron reduction process around -2.15 to -1.60 V The reduction potential of gadolinium(III) complexes shifts towards anodic directions respectively upon increasing the chain length. The catalytic activity of the gadolinium(III) complexes on the hydrolysis of 4-nitrophenylphosphate was determined. All gadolinium(III) complexes were screened for antibacterial activity.

Spectrophotometric and Kinetic Determination of Some Sulphur Containing Drugs in Bulk and Drug Formulations

  • Walash, M.I.;El-Brashy, A.M.;Metwally, M.S.;Abdelal, A.A.
    • Bulletin of the Korean Chemical Society
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    • v.25 no.4
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    • pp.517-524
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    • 2004
  • Two simple and sensitive spectrophotometric methods were developed for the determination of carbocisteine, penicillamine, ethionamide and thioctic acid in bulk and in their pharmaceutical preparations using alkaline potassium permanganate as an oxidizing agent. The first one involves determination of ethionamide and thioctic acid by spectrophotometric investigation of the oxidation reaction of the two drugs. The second method involves determination of carbocisteine and penicillamine by kinetic studies of the oxidation reaction of these two drugs at room temperature for a fixed time of 20 minutes. The absorbance of the colored manganate ions was measured at 610 nm in both methods. 1-10 ${\mu}$g/mL of ethionamide and thioctic acid could be etermined by the spectrophotometric method with detection limits of 0.11 and 0.089 ${\mu}$g/mL for the two drugs respectively. 2-10 ${\mu}$g/mL of carbocisteine and penicillamine could be determined by the kinetic method with detection limits of 0.14 and 0.21 ${\mu}$g/mL respectively. The two methods were successfully applied for the determination of these drugs in their dosage forms.

Utilization of Cotton Stalks-Biomass Waste in the Production of Carbon Adsorbents by KOH Activation for Removal of Dye-Contaminated Water

  • Fathy, Nady A.;Girgis, Badie S.;Khalil, Lila B.;Farah, Joseph Y.
    • Carbon letters
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    • v.11 no.3
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    • pp.224-234
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    • 2010
  • Four activated carbons were produced by two-stage process as followings; semi-carbonization of indigenous biomass waste, i.e. cotton stalks, followed by chemical activation with KOH under various activation temperatures and chemical ratios of KOH to semi-carbonized cotton stalks (CCS). The surface area, total pore volume and average pore diameter were evaluated by $N_2$-adsorption at 77 K. The surface morphology and oxygen functional groups were determined by SEM and FTIR, respectively. Batch equilibrium and kinetic studies were carried out by using a basic dye, methylene blue as a probe molecule to evaluate the adsorption capacity and mechanism over the produced carbons. The obtained activated carbon (CCS-1K800) exhibited highly microporous structure with high surface area of 950 $m^2/g$, total pore volume of 0.423 $cm^3/g$ and average pore diameter of 17.8 ${\AA}$. The isotherm data fitted well to the Langmuir isotherm with monolayer adsorption capacity of 222 mg/g for CCS-1K800. The kinetic data obtained at different concentrations were analyzed using a pseudo-first-order, pseudo-second-order and intraparticle diffusion equations. The pseudo-second-order model fitted better for kinetic removal of MB dye. The results indicate that such laboratory carbons could be employed as low cost alternative to commercial carbons in wastewater treatment.