Search Results - "Pardo Soto, Luis Carlos"

Short-Range Interactions of Concentrated Proline in Aqueous Solution by Busch, Sebastian, Lorenz, Christian D, Taylor, Jonathan, Pardo, Luis Carlos, McLain, Sylvia E

“…Molecular interactions for proline in a highly concentrated aqueous solution (up to 1:5 proline:water molecular ratio) have been investigated using a variety…”
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Amphipathic Solvation of Indole: Implications for the Role of Tryptophan in Membrane Proteins by Johnston, Andrew J, Zhang, Yapei (Rosie), Busch, Sebastian, Pardo, Luis Carlos, Imberti, Silvia, McLain, Sylvia E

“…The microscopic structure of the tryptophan side chain, indole, in an amphiphilic environment has been investigated using a combination of neutron diffraction…”
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Atomic scale insights into urea-peptide interactions in solution by Steinke, Nicola, Gillams, Richard J, Pardo, Luis Carlos, Lorenz, Christian D, McLain, Sylvia E

“…The mechanism by which proteins are denatured by urea is still not well understood, especially on the atomic scale where these interactions occur in vivo. In…”
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On the atomic structure of cocaine in solution by Johnston, Andrew J, Busch, Sebastian, Pardo, Luis Carlos, Callear, Samantha K, Biggin, Philip C, McLain, Sylvia E

“…Cocaine is an amphiphilic drug which has the ability to cross the blood-brain barrier (BBB). Here, a combination of neutron diffraction and computation has…”
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Thermodynamic and Kinetic Fragility of Freon 113: The Most Fragile Plastic Crystal by Vispa, A, Romanini, M, Ramos, M A, Pardo, L C, Bermejo, F J, Hassaine, M, Krivchikov, A I, Taylor, J W, Tamarit, J Ll

“…We present a dynamic and thermodynamic study of the orientational glass former Freon 113 (1,1,2-trichloro-1,2,2-trifluoroethane, CCl_{2}F-CClF_{2}) in order to…”
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Tuning molecular dynamics by hydration and confinement: antiplasticizing effect of water in hydrated prilocaine nanoclusters by Ruiz, G N, Combarro-Palacios, I, McLain, S E, Schwartz, G A, Pardo, L C, Cerveny, S, Macovez, R

“…In glass-forming substances, the addition of water tends to produce the effect of lowering the glass transition temperature, Tg. In a previous work by some of…”
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Characterizing ordering in liquids: An information theoretic approach by Pardo, Luis Carlos, Henao, Andrés, Vispa, Alessandro

“…The determination of special molecular arrangements in disordered phases such as liquids is inherently difficult due to its lack of periodicity, in contrast to…”
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Relaxation Dynamics vs Crystallization Kinetics in the Amorphous State: The Case of Stiripentol by Ruiz, Guadalupe N, Romanini, Michela, Barrio, María, Tamarit, Josep Ll, Pardo, Luis C, Macovez, Roberto

“…With the aim of finding a correlation between the crystallization kinetics and the molecular dynamics of a substance that would allow prediction of its…”
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Polymorphism with Conformational Isomerism and Incomplete Crystallization in Solid Ethanolamine by Romanini, Michela, Negrier, Philippe, Tripathi, Pragya, Lira, Kyriaki-Marina, Gournis, Dimitrios, Barrio, Maria, Pardo, Luis Carlos, Tamarit, Josep Lluís, Macovez, Roberto

“…We employ calorimetry, Rietveld refinement of X-ray powder diffraction, broadband dielectric spectroscopy, and molecular dynamics simulations to investigate…”
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Genuine antiplasticizing effect of water on a glass-former drug by Ruiz, Guadalupe N., Romanini, Michela, Hauptmann, Astrid, Loerting, Thomas, Shalaev, Evgenyi, Tamarit, Josep Ll, Pardo, Luis C., Macovez, Roberto

“…Water is the most important plasticizer of biological and organic hydrophilic materials, which generally exhibit enhanced mechanical softness and molecular…”
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Emergence of glassy-like dynamics in an orientationally ordered phase by Romanini, M., Negrier, Ph, Tamarit, J. Ll, Capaccioli, S., Barrio, M., Pardo, L. C., Mondieig, D.

“…The dynamics of a simple rigid pseudoglobular molecule (2-adamantanone) has been studied by means of dielectric spectroscopy and examined under the constraints…”
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On the structure of water and chloride ion interactions with a peptide backbone in solution by Busch, Sebastian, Pardo, Luis Carlos, O'Dell, William B, Bruce, Chrystal D, Lorenz, Christian D, McLain, Sylvia E

“…The arrangement of water and chloride ions around a model peptide (glycyl-L-prolyl-glycine-NH2) was investigated using Molecular Dynamics (MD) simulations and…”
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Effects of site-occupation disorder on the low-temperature thermal conductivity of molecular crystals by Krivchikov, A.I., Vdovichenko, G.A., Korolyuk, O.A., Bermejo, F.J., Pardo, L.C., Tamarit, J.Ll, Jezowski, A., Szewczyk, D.

“…The thermal conductivity of CBrnCl4-n,(n=0,1,2) and 2-adamantanone (C10H14O) crystals which exhibit substitutional disorder has been measured for temperatures…”
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Effects of internal molecular degrees of freedom on the thermal conductivity of some glasses and disordered crystals by Krivchikov, A. I., Korolyuk, O. A., Sharapova, I. V., Tamarit, J. Ll, Bermejo, F. J., Pardo, L. C., Rovira-Esteva, M., Ruiz-Martin, M. D., Jezowski, A., Baran, J., Davydova, N. A.

“…The thermal conductivity sub([kappa])(T) of the fully ordered stable phase II, the metastable phase III, the orientationally disordered (plastic) phase I, as…”
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Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids by Pothoczki, Sz, Ottochian, A., Rovira-Esteva, M., Pardo, L. C., Tamarit, J. Ll, Cuello, G. J.

“…The study of how both steric and electrostatic interactions affect the structure of liquids formed by quasitetrahedral molecules has been undertaken in this…”
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A continuous mixture of two different dimers in liquid water by Pardo, L C, Henao, A, Busch, S, Guàrdia, E, Tamarit, J Ll

“…It is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with…”
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Polymorphism in Halogen–Ethane Derivatives: CCl3–CF2Cl and CF3–CF2Cl by Negrier, Philippe, Barrio, María, Tamarit, Josep Ll, Pardo, Luis C, Mondieig, Denise

“…Molecular crystals of halogen–ethane derivatives C2X6–n Y n (X = Cl, Y = F) are known to display order–disorder phase transitions involving changes of the…”
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Competing structures within the first shell of liquid C2Cl6: A molecular dynamics study by Henao, A., Pothoczki, S., Canales, M., Guàrdia, E., Pardo, L.C.

“…We present a detailed study on the liquid structure of hexachloroethane (C2Cl6) within the first shell using the proper Euler-angles convention. Molecular…”
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Microscopic structures and dynamics of high- and low-density liquid trans-1,2-dichloroethylene by Rzosca, S. J, Cuello, G. J, Unruh, T, Smuda, C, Rovira Esteva, Muriel, Murugan, Natarajan Arul, Pardo Soto, Luis Carlos, Busch, S, Ruíz Martín, María Dolores, Appavou, M.S, Tamarit Mur, José Luis, Bermejo, F.J

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Hindered Water Motions in Hardened Cement Pastes Investigated over Broad Time and Length Scales by Bordallo, Heloisa N, Aldridge, Laurence P, Fouquet, Peter, Pardo, Luis Carlos, Unruh, Tobias, Wuttke, Joachim, Yokaichiya, Fabiano

“…We investigated the dynamics of confined water in different hydrated cement pastes with minimized contributions of capillary water. It was found that the water…”
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