• Title/Summary/Keyword: trifluoroethanol

Search Result 48, Processing Time 0.022 seconds

Conformation of Luteinizing Hormone Releasing Hormone as Studied by $^1$H NMR

  • Yi, Gwan-Su;Chaejoon Cheon;Park, Byong-Seok;Kim, Hyoungman
    • Proceedings of the Korean Biophysical Society Conference
    • /
    • 1996.07a
    • /
    • pp.28-28
    • /
    • 1996
  • NMR studies on the structure of the luteinizing hormone releasing hormone (LHRH) in aqueous buffer and trifluoroethanol (TFE)/aqueous buffer (1:1, v/v) solution were performed. The NMR data under these conditions suggested a unique conformation which includes a ${\beta}$-1 turn of the Tyr5-Arg8 segment and an unusual turn of Ser4-Gly6 segment staggered with the ${\beta}$-I turn. (omitted)

  • PDF

NMR Study on the Internal Dynamics of Ketosteroid Isomerase

  • Lee, Hee-Cheon
    • Proceedings of the Korean Biophysical Society Conference
    • /
    • 2003.06a
    • /
    • pp.26-26
    • /
    • 2003
  • The backbone dynamics of ketosteroid isomerase, a homodimeric enzyme with 125 amino acid residues per subunit, has been studied in the presence/absence of a steroid ligand and 5% trifluoroethanol (TFE) by $^{15}$ M relaxation measurements. The relaxation data were analyzed using the model-free formalism to extract the model-free parameters (S$^2$, $\tau$$_{e}$, and R$_{ex}$ ). The results show that a large number of the residues, particularly those involved in the dimer interaction, exhibit reduced order parameters (S$^2$) in the steroid-bound enzyme, indicating the increased high-frequency (pico- to nanosecond) motions in the interface region upon ligand binding. The results also show that that the presence of 5 % TFE in free enzyme causes little change or slight increase in the order parameters for a number of residues in the dimer interface region. However, the majority of the residues in free enzyme exhibit reduced order parameters in the presence of 5 % TFE, indicating that the increase in entropy is partially responsible for the increased stability of KSI by 5% TFE.E.E.

  • PDF

Correlation of the Rates of Solvolyses of Benzhydryl Halides Using an Extended Grunwald-Winstein Equation

  • Koh, Han-Joong;Kang, Suk-Jin;Kim, Cheol-Ju
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.2
    • /
    • pp.378-382
    • /
    • 2009
  • Rates of solvolyses of benzhydryl chloride ($Ph_2$CHCl, 1) and benzhydryl bromide ($Ph_2$CHBr, 2) in ethanol, methanol, and aqueous binary mixtures incorporating ethanol, methanol, 2,2,2-trifluoroethanol (TFE) and acetone are reported. Solvolyses were also carried out in TFE-ethanol mixtures. Application of the extended Grunwald-Winstein equation led to l value of 1.19 (1), 1.29 (2) and m value of 1.00 (1), 0.77 (2), correlation coefficient of 0.965 (1) and 0.970 (2). Sensitivities (l = 1.19 (1), 1.29 (2) and m = 1.00 (1), 0.77 (2)) were similar to those obtained for several previously studied solvolyses, in which an $S_N$2 pathway is proposed for the solvolyses of benzhydryl halides ($Ph_2$CHX, X = Cl or Br).

Structure of CT16 in the C-terminal of Amyloid Precursor Protein Studied by NMR Spectroscopy

  • Lee, Kyoung-Ik;Baek, Dong-Ha;Shin, Song-Yub;Kim, Yang-Mee
    • Journal of the Korean Magnetic Resonance Society
    • /
    • v.8 no.1
    • /
    • pp.19-27
    • /
    • 2004
  • C-terminal fragments of APP (APP-CTs), that contain complete Abeta sequence, are found in neuritic plaques, neurofibrillary tangles and the cytosol of lymphoblastoid cells obtained from AD patients. CT16, Lys649-Asp664 (KKQYTSIHHGVVEVD) has been known as the most toxic part in the C-terminal fragment of amyloid precursor protein (APP). The solution structure of CT16 was investigated using NMR spectroscopy in various membrane-mimicking environments. According to Circular Dichroim (CD) spectra, CT16 has a random structure in aqueous solution, while conformational change was induced by addition of TFE and SDS micelle. Tertiary structure as determined by NMR spectroscopy shows that CT16 has a ${\beta}$-turn conformation in trifluoroethanol-containing aqueous solution.

  • PDF

Mechanistic Studies of the Solvolyses of Cyclohexanesulfonyl Chloride

  • Kang, Suk Jin;Koh, Han Joong
    • Journal of the Korean Chemical Society
    • /
    • v.63 no.4
    • /
    • pp.233-236
    • /
    • 2019
  • In this study, the solvolysis of cyclohexanesulfonyl chloride (1) was studied by kinetics in ethanol-water, methanol-water, acetone-water, and 2,2,2-trifluoroethanol (TFE)-water binary solvent systems. The rate constants were applied to the extended Grunwald-Winstein equation, to obtain the values of m = 0.41 and l = 0.81. These values suggested $S_N2$ mechanism in which bond formation is more important than bond breaking in the transition state (TS). Relatively small activation enthalpy values (11.6 to $14.8kcal{\cdot}mol^{-1}$), the large negative activation entropy values (-29.7 to $-38.7cal{\cdot}mol^{-1}{\cdot}K^{-1}$) and the solvent kinetic isotope effects (SKIE, 2.29, 2.30), the solvolyses of the cyclohexanesulfonyl chloride (1) proceeds via the $S_N2$ mechanism.

Correlation of the Rates of Solvolysis of 4-Morpholinecarbonyl Chloride Using the Extended Grunwald-Winstein Equation

  • Kim, Ran;Ali, Dildar;Lee, Jong-Pal;Yang, Ki-Yull;Koo, In-Sun
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.7
    • /
    • pp.1963-1967
    • /
    • 2010
  • The rates of solvolysis of 4-morpholinecarbonyl chloride (MPC) have measured at $35.0^{\circ}C$ in water, $D_2O$, $CH_3OD$, and in aqueous binary mixtures of acetone, ethanol, methanol, and 2,2,2-trifluoroethanol. An extended (two-term) Grunwald-Winstein equation correlation gave sensitivities towards changes in solvent nucleophilicity and solvent ionizing power as expected for a dissociative $S_N2$ and/or $S_N1$(ionization) pathway. For nine solvents specific rates were determined at two additional temperatures and higher enthalpies and smaller negative entropies of activation were observed, consistent with the typical dissociative $S_N2$ or $S_N1$(ionization) pathway. The solvent deuterium isotope effect values for the hydrolysis of MPC of $k_{H_2O}/k_{D_2O}$ = 1.27 and for the methanolysis of MPC of $k_{MeOH}/k_{MeOD}$ = 1.22 are typical magnitudes of the $S_N1$ or ionization mechanism.

A Optimization of the ORC for Ship's Power Generation System (해수 온도차를 이용한 선박의 ORC 발전 시스템 최적화)

  • Oh, Cheol;Song, Young-Uk
    • Journal of Advanced Marine Engineering and Technology
    • /
    • v.36 no.5
    • /
    • pp.595-602
    • /
    • 2012
  • In this study, for the purpose of reduction of $CO_2$ gas emission and to increase recovery of waste heat from ships, the ORC (Organic Rankine Cycle) is investigated and offered for the conversion of temperature heat to electricity from waste heat energy from ships. Simulation was performed with waste heat from the exhaust gasse which is relatively high temperature and cooling sea water which is relatively low temperature from ships. Various fluid is used for simulation of the ORC system with variable temperature and flow condition and efficiency of system and output power is compared. Finally, 2,400kW output power is obtained by system optimization of the preheater and reheater utilizing waste heat form sea water cooling system.

Correlation of the Rates of Solvolysis of Diphenylthiophosphinyl Chloride Using an Extended form of the Grunwald-Winstein Equation

  • Koh, Han-Joong;Kang, Suk-Jin;Kevill, Dennis N.
    • Bulletin of the Korean Chemical Society
    • /
    • v.29 no.10
    • /
    • pp.1927-1931
    • /
    • 2008
  • Rate of solvolysis of diphenylthiophosphinyl chloride in ethanol, methanol, and aqueous binary mixtures incorporating ethanol, methanol, acetone, 2,2,2-trifluoroethanol (TFE) or 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) are reported. Solvolyses were also carried out in TFE-ethanol mixtures. For five representative solvents, studies were made at several temperatures and activation parameters determined. The 29 solvents gave a reasonably precise extended Grunwald-Winstein equation plot, correlation coefficient (R) of 0.933, which improved to 0.983 when the four TFE-ethanol points were excluded. The sensitivities (l = 1.00 and m = 0.64) were similar to those obtained for dimethyl phosphorochloridate and phosphorochloridothionate and diphenylphosphinyl chloride (1). As with the four previously studied solvolyses, an $SN_2$ pathway is proposed for the solvolyses of diphenylthiophosphinyl chloride. The activation parameters, ${\Delta}H^{\neq}$ and ${\Delta}S^{\neq}$, were determined and they are also in line with values expected for an $S_N2$ reaction.

Fabrication and Cell Culturing on Carbon Nanofibers/Nanoparticles Reinforced Membranes for Bone-Tissue Regeneration

  • Deng, Xu Liang;Yang, Xiao Ping
    • Carbon letters
    • /
    • v.13 no.3
    • /
    • pp.139-150
    • /
    • 2012
  • Poly-L-lactic acid (PLLA), PLLA/hydroxyapatite (HA), PLLA/multiwalled carbon nanotubes (MWNTs)/HA, PLLA/trifluoroethanol (TFE), PLLA/gelatin, and carbon nanofibers (CNFs)/${\beta}$-tricalcium phosphate (${\beta}$-TCP) composite membranes (scaffolds) were fabricated by electrospinning and their morphologies, and mechanical properties were characterized for use in bone tissue regeneration/guided tissue regeneration. MWNTs and HA nanoparticles were well distributed in the membranes and the degradation characteristics were improved. PLLA/MWNTs/HA membranes enhanced the adhesion and proliferation of periodontal ligament cells (PDLCs) by 30% and inhibited the adhesion of gingival epithelial cells by 30%. Osteoblast-like MG-63 cells on the randomly fiber oriented PLLA/TEF membrane showed irregular forms, while the cells exhibited shuttle-like shapes on the parallel fiber oriented membrane. Classical supersaturated simulated body fluids were modified by $CO_2$ bubbling and applied to promote the biomineralization of the PLLA/gelatin membrane; this resulted in predictions of bone bonding bioactivity of the substrates. The ${\beta}$-TCP membranes exhibit good biocompatibility, have an effect on PDLC growth comparable to that of pure CNF membrane, and can be applied as scaffolds for bone tissue regeneration.

An NMR study on the intrinsically disordered core transactivation domain of human glucocorticoid receptor

  • Kim, Do-Hyoung;Wright, Anthony;Han, Kyou-Hoon
    • BMB Reports
    • /
    • v.50 no.10
    • /
    • pp.522-527
    • /
    • 2017
  • A large number of transcriptional activation domains (TADs) are intrinsically unstructured, meaning they are devoid of a three-dimensional structure. The fact that these TADs are transcriptionally active without forming a 3-D structure raises the question of what features in these domains enable them to function. One of two TADs in human glucocorticoid receptor (hGR) is located at its N-terminus and is responsible for ~70% of the transcriptional activity of hGR. This 58-residue intrinsically-disordered TAD, named tau1c in an earlier study, was shown to form three helices under trifluoroethanol, which might be important for its activity. We carried out heteronuclear multi-dimensional NMR experiments on hGR tau1c in a more physiological aqueous buffer solution and found that it forms three helices that are ~30% pre-populated. Since pre-populated helices in several TADs were shown to be key elements for transcriptional activity, the three pre-formed helices in hGR tau1c delineated in this study should be critical determinants of the transcriptional activity of hGR. The presence of pre-structured helices in hGR tau1c strongly suggests that the existence of pre-structured motifs in target-unbound TADs is a very broad phenomenon.