TAMUCC Department of Chemistry

Role of main-chain electrostatics, hydrophobic effect and side-chain conformational entropy in determining the secondary structure of proteins

Journal of Molecular Biology, Volume 279, Issue 3, 12 June 1998, Pages 665-684
F. Avbelj and L. Fele
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Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins

Journal of Molecular Biology, Volume 300, Issue 5, 28 July 2000, Pages 1335-1359
Franc Avbelj
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Ab initio conformational analysis of N- and C-terminally-protected valyl-alanine dipeptide model

Journal of Molecular Structure: THEOCHEM, In Press, Corrected Proof, Available online 20 July 2005,
Cindy P. Chun, Ashton A. Connor and Gregory A. Chass
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Use of a chiral surfactant for enantioselective reduction of a ketone

Journal of Colloid and Interface Science, Volume 276, Issue 2, 15 August 2004, Pages 498-502
Tammy A. Davidson, Kalyan Mondal and Xiaoye Yang
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Enantioselective hydrophobic entanglement of enantiomeric solutes with chiral functionalized micelles by electrokinetic chromatography

Journal of Chromatography A, Volume 480, 1989, Pages 413-420
Akira Dobashi, Tamami Ono, Shoji Hara, Junko Yamaguchi
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Solvent effects as a possible source of rate enhancements in functional micellar catalysis

Inorganica Chimica Acta, Volume 40, 1980, Page X164
Roberto Fornasier and Umberto Tonellato
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Amino acid-based surfactants

Comptes Rendus Chimie, Volume 7, Issues 6-7, June-July 2004, Pages 583-592
María Rosa Infante, Lourdes Pérez, Aurora Pinazo, Pere Clapés, María Carmen Morán, Marta Angelet, María Teresa García and María Pilar Vinardell
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Fluorescence and solubilization studies of polymer—surfactant systems

Colloids and Surfaces, Volume 13, 1985, Pages 63-72
K. P. Ananthapadmanabhan, P. S. Leung and E. D. Goddard
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Solubilization of hydrophobic molecules in nanoparticles formed by polymer–surfactant interactions

Journal of Colloid and Interface Science, In Press, Corrected Proof, Available online 21 June 2005,
Gilat Nizri and Shlomo Magdassi
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Solution properties of amino acid-type new surfactant

Colloids and Surfaces B: Biointerfaces, Volume 20, Issue 1, 15 January 2001, Pages 79-86
Tatsuru Tabohashi, Kazuhiko Tobita, Kazutami Sakamoto, Junichi Kouchi, Shoko Yokoyama, Hideki Sakai and Masahiko Abe
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On the role of hydrophilicity and hydrophobicity in aqueous heterophase polymerization

Polymer, Volume 46, Issue 4, 7 February 2005, Pages 1003-1015
Klaus Tauer, A.M. Imroz Ali, Ufuk Yildiz and Milos Sedlak
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Chiral separation of amino acids and peptides by capillary electrophoresis

Journal of Chromatography A, Volume 875, Issues 1-2, 14 April 2000, Pages 43-88
Hong Wan and Lars G. Blomberg
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Separation of amino acids by polymeric reversed micelle extraction

Separation and Purification Technology, Volume 35, Issue 1, 1 February 2004, Pages 1-9
Yundong Wang, Changyun Shi, Quan Gan and Youyuan Dai
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Scifinder Articles

Choudhury, Niharendu; Pettitt, B. Montgomery. Dynamics of Water Trapped between Hydrophobic Solutes. Journal of Physical Chemistry B (2005), 109(13), 6422-6429. CODEN: JPCBFK ISSN:1520-6106. CAN 142:452278 AN 2005:224681 CAPLUS

The authors describe the model dynamical behavior of the solvent between 2 nanoscopic hydrophobic solutes. The dynamics of the vicinal H 2 O ? in various sized traps is significantly different from bulk behavior. The authors consider the dynamics at normal temp. and pressure at 3 intersolute distances corresponding to the 3 solvent sepd. min. in the free energy profile between the solutes with attractions. These 3 states correspond to one, 2, and 3 intervening layers of H 2 O ? mols. Results are obtained from a mol. dynamics simulation at const. temp. and pressure (NPT) ensemble. Translational diffusion of H 2 O ? mols. trapped between the 2 solutes was analyzed from the velocity correlation function as well as from the mean square displacement of the H 2 O ? mols. The rotational behavior was analyzed through the reorientational dynamics of the dipole moment vector of the H 2 O ? mol. by calcg. both 1st and 2nd rank dipole-dipole correlation functions. Both the translational and reorientational mobilities of H 2 O ? are much slower at the smaller sepn. and increases as the sepn. between solutes becomes larger. The occupation time distribution functions calcd. from the trajectories also show that the relaxation is much slower for the smallest intersolute sepn. as compared to other wider sepns. The sublinear trend in mean square displacement and the stretched exponential decay of the relaxation of dipolar correlation and occupation distribution function indicate that the dynamical behavior of H 2 O ? in the confined region between 2 large hydrophobic solutes departs from usual Brownian behavior. This behavior is reminiscent of the behavior of H 2 O ? in the vicinity of protein surface clefts or trapped between 2 domains of a protein.

Dai, Yongsheng; Liu, Jinhe; Ye, Tianxu; Zhang, Yazhou. Development trends of hydrophobically associating water-soluble polymer. (II). Jingxi Yu Zhuanyong Huaxuepin (2003), 11(20), 18-21. CODEN: JYZHA 7 ? ISSN:1008-1100. CAN 141:72070 AN 2003:906645 CAPLUS

A review on effects of polymer characteristics, inorg. salts, and temp. on title polymer soln. Applications of title polymers were discussed.

Guillaume, Yves-Claude; Guinchard, Christiane; Truong, Truong-Thanh; Millet, Joelle. Sucrose dependence of solute inclusion in surfactant micelles: hydrophobic effect and geometrical considerations. Analytica Chimica Acta (2001), 447(1-2), 237-245. CODEN: ACACAM ISSN:0003-2670. CAN 136:156852 AN 2001:834715 CAPLUS

In high performance liq. chromatog. (HPLC) using a poly(octadecylsiloxane) as a stationary phase, a series of imidazole derivs. (I Ds ?) as solutes, and a surfactant as a mobile phase modifier, a study on the surface tension of sugar on the inclusion of I Ds ? in surfactant micelles was carried out by varying the salting out agent concn. A math. treatment was developed to calc. the degree of inclusion, nc (the percentage of included guest solute) and the no. of sucrose mols. excluded from the solute-micelle interface during the inclusion process. The thermodn. parameters for solute inclusion processing the surfactant micelles were detd. from Vant'Hoff plots. It was shown that the decrease in solute inclusion accompanying the sucrose concn. increase was principally governed by a decrease in the micelle radius due to the increased surface tension effects. This behavior caused a decrease in the hydrophobic interaction for ligand inclusion in the surfactant micelle explaining the obsd. thermodn. trends.

		Chemistry


Home Degrees People Faculty Staff Assistants WorkStudies Researchers Events Courses Laboratories Instrumentation NMR Equipment Safety Research Welch SSC Workshop Chemistry Database MSDS Links Chemistry Club ACS South Texas Section Physical & Environmental Sciences TAMUCC	Role of main-chain electrostatics, hydrophobic effect and side-chain conformational entropy in determining the secondary structure of proteins Journal of Molecular Biology, Volume 279, Issue 3, 12 June 1998, Pages 665-684 F. Avbelj and L. Fele Download Article Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins Journal of Molecular Biology, Volume 300, Issue 5, 28 July 2000, Pages 1335-1359 Franc Avbelj Download Article Ab initio conformational analysis of N- and C-terminally-protected valyl-alanine dipeptide model Journal of Molecular Structure: THEOCHEM, In Press, Corrected Proof, Available online 20 July 2005, Cindy P. Chun, Ashton A. Connor and Gregory A. Chass Download Article Use of a chiral surfactant for enantioselective reduction of a ketone Journal of Colloid and Interface Science, Volume 276, Issue 2, 15 August 2004, Pages 498-502 Tammy A. Davidson, Kalyan Mondal and Xiaoye Yang Download Article Enantioselective hydrophobic entanglement of enantiomeric solutes with chiral functionalized micelles by electrokinetic chromatography Journal of Chromatography A, Volume 480, 1989, Pages 413-420 Akira Dobashi, Tamami Ono, Shoji Hara, Junko Yamaguchi Download Article Solvent effects as a possible source of rate enhancements in functional micellar catalysis Inorganica Chimica Acta, Volume 40, 1980, Page X164 Roberto Fornasier and Umberto Tonellato Download Article Amino acid-based surfactants Comptes Rendus Chimie, Volume 7, Issues 6-7, June-July 2004, Pages 583-592 María Rosa Infante, Lourdes Pérez, Aurora Pinazo, Pere Clapés, María Carmen Morán, Marta Angelet, María Teresa García and María Pilar Vinardell Download Article Fluorescence and solubilization studies of polymer—surfactant systems Colloids and Surfaces, Volume 13, 1985, Pages 63-72 K. P. Ananthapadmanabhan, P. S. Leung and E. D. Goddard Download Article Solubilization of hydrophobic molecules in nanoparticles formed by polymer–surfactant interactions Journal of Colloid and Interface Science, In Press, Corrected Proof, Available online 21 June 2005, Gilat Nizri and Shlomo Magdassi Download Article Solution properties of amino acid-type new surfactant Colloids and Surfaces B: Biointerfaces, Volume 20, Issue 1, 15 January 2001, Pages 79-86 Tatsuru Tabohashi, Kazuhiko Tobita, Kazutami Sakamoto, Junichi Kouchi, Shoko Yokoyama, Hideki Sakai and Masahiko Abe Download Article On the role of hydrophilicity and hydrophobicity in aqueous heterophase polymerization Polymer, Volume 46, Issue 4, 7 February 2005, Pages 1003-1015 Klaus Tauer, A.M. Imroz Ali, Ufuk Yildiz and Milos Sedlak Download Article Chiral separation of amino acids and peptides by capillary electrophoresis Journal of Chromatography A, Volume 875, Issues 1-2, 14 April 2000, Pages 43-88 Hong Wan and Lars G. Blomberg Download Article Separation of amino acids by polymeric reversed micelle extraction Separation and Purification Technology, Volume 35, Issue 1, 1 February 2004, Pages 1-9 Yundong Wang, Changyun Shi, Quan Gan and Youyuan Dai Download Article Scifinder Articles Choudhury, Niharendu; Pettitt, B. Montgomery. Dynamics of Water Trapped between Hydrophobic Solutes. Journal of Physical Chemistry B (2005), 109(13), 6422-6429. CODEN: JPCBFK ISSN:1520-6106. CAN 142:452278 AN 2005:224681 CAPLUS The authors describe the model dynamical behavior of the solvent between 2 nanoscopic hydrophobic solutes. The dynamics of the vicinal H 2 O ? in various sized traps is significantly different from bulk behavior. The authors consider the dynamics at normal temp. and pressure at 3 intersolute distances corresponding to the 3 solvent sepd. min. in the free energy profile between the solutes with attractions. These 3 states correspond to one, 2, and 3 intervening layers of H 2 O ? mols. Results are obtained from a mol. dynamics simulation at const. temp. and pressure (NPT) ensemble. Translational diffusion of H 2 O ? mols. trapped between the 2 solutes was analyzed from the velocity correlation function as well as from the mean square displacement of the H 2 O ? mols. The rotational behavior was analyzed through the reorientational dynamics of the dipole moment vector of the H 2 O ? mol. by calcg. both 1st and 2nd rank dipole-dipole correlation functions. Both the translational and reorientational mobilities of H 2 O ? are much slower at the smaller sepn. and increases as the sepn. between solutes becomes larger. The occupation time distribution functions calcd. from the trajectories also show that the relaxation is much slower for the smallest intersolute sepn. as compared to other wider sepns. The sublinear trend in mean square displacement and the stretched exponential decay of the relaxation of dipolar correlation and occupation distribution function indicate that the dynamical behavior of H 2 O ? in the confined region between 2 large hydrophobic solutes departs from usual Brownian behavior. This behavior is reminiscent of the behavior of H 2 O ? in the vicinity of protein surface clefts or trapped between 2 domains of a protein. Dai, Yongsheng; Liu, Jinhe; Ye, Tianxu; Zhang, Yazhou. Development trends of hydrophobically associating water-soluble polymer. (II). Jingxi Yu Zhuanyong Huaxuepin (2003), 11(20), 18-21. CODEN: JYZHA 7 ? ISSN:1008-1100. CAN 141:72070 AN 2003:906645 CAPLUS A review on effects of polymer characteristics, inorg. salts, and temp. on title polymer soln. Applications of title polymers were discussed. Guillaume, Yves-Claude; Guinchard, Christiane; Truong, Truong-Thanh; Millet, Joelle. Sucrose dependence of solute inclusion in surfactant micelles: hydrophobic effect and geometrical considerations. Analytica Chimica Acta (2001), 447(1-2), 237-245. CODEN: ACACAM ISSN:0003-2670. CAN 136:156852 AN 2001:834715 CAPLUS In high performance liq. chromatog. (HPLC) using a poly(octadecylsiloxane) as a stationary phase, a series of imidazole derivs. (I Ds ?) as solutes, and a surfactant as a mobile phase modifier, a study on the surface tension of sugar on the inclusion of I Ds ? in surfactant micelles was carried out by varying the salting out agent concn. A math. treatment was developed to calc. the degree of inclusion, nc (the percentage of included guest solute) and the no. of sucrose mols. excluded from the solute-micelle interface during the inclusion process. The thermodn. parameters for solute inclusion processing the surfactant micelles were detd. from Vant'Hoff plots. It was shown that the decrease in solute inclusion accompanying the sucrose concn. increase was principally governed by a decrease in the micelle radius due to the increased surface tension effects. This behavior caused a decrease in the hydrophobic interaction for ligand inclusion in the surfactant micelle explaining the obsd. thermodn. trends.