Exploració per autor "Busch, Sebastian"
Ara es mostren els items 1-9 de 9
-
A continuous mixture of two different dimers in liquid water
Pardo Soto, Luis Carlos; Henao Aristizábal, Andrés; Busch, Sebastian; Guàrdia Manuel, Elvira; Tamarit Mur, José Luis (2014-01-01)
Article
Accés restringit per política de l'editorialIt is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with neighboring molecules. Kuhne et al., Nat. Commun., 2013, 4, 1450 ... -
A robust comparison of dynamical scenarios in a glass-forming liquid
Vispa, Alessandro; Busch, Sebastian; Tamarit Mur, José Luis; Unruh, Tobias; Fernandez-Alonso, Felix; Pardo Soto, Luis Carlos (2016-02-07)
Article
Accés obertWe use Bayesian inference methods to provide fresh insights into the sub-nanosecond dynamics of glycerol, a prototypical glass-forming liquid. To this end, quasielastic neutron scattering data as a function of temperature ... -
Amphipathic solvation of indole: implications for the role of tryptophan in membrane proteins
Johnston, Andrew J; Zhang, Yapei; Busch, Sebastian; Pardo Soto, Luis Carlos; Imberti, Silvia; McLain, Sylvia E. (2015-05-14)
Article
Accés obertThe microscopic structure of the tryptophan side chain, indole, in an amphiphilic environment has been investigated using a combination of neutron diffraction measurements and simulations in solution. The results show that ... -
Microscopic dynamics of glycerol: a QENS study
Rovira Esteva, Muriel; Vispa, Alessandro; Ruíz Martín, María Dolores; Busch, Sebastian; Unruh, T.; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis (Institute of Physics (IOP), 2014-01-09)
Article
Accés obertWe report on a quasielastic incoherent neutron scattering (QENS) experiment onliquid glycerol. QENS data were collected at thetemperature T=380 K and witharesolution(FWHM)R=55µeV.The analysis of the quasielastic signal ... -
On the atomic structure of cocaine in solution
Johnston, Andrew J; Busch, Sebastian; Pardo Soto, Luis Carlos; Callear, Samantha K.; Biggin, Philip C.; McLain, Sylvia E. (2016)
Article
Accés obertCocaine is an amphiphilic drug which has the ability to cross the blood–brain barrier (BBB). Here, a combination of neutron diffraction and computation has been used to investigate the atomic scale structure of cocaine in ... -
On the microscopic origin of the cryoprotective effect in lysine solutions
Henao, Andrés; Ruiz Tabbia, Guadalupe Natalia; Steinke, Nicola; Cerveny Murcia, Silvina; Macovez, Roberto; Busch, Sebastian; McLain, Sylvia E.; Lorenz, Christian D.; Pardo Soto, Luis Carlos (2020-04-07)
Article
Accés obertThe amino acid lysine has been shown to prevent water crystallization at low temperatures in saturated aqueous solutions [S. Cerveny and J. Swenson, Phys. Chem. Chem. Phys., 2014, 16, 22382–22390]. Here, we investigate two ... -
On the structure of water and chloride ion interactions with a peptide backbone in solution
Busch, Sebastian; Pardo Soto, Luis Carlos; O'Dell, William B.; Bruce, Chrystal D.; Lorenz, Christian D.; McLain, Sylvia E. (2013-12-28)
Article
Accés restringit per política de l'editorialThe arrangement of water and chloride ions around a model peptide (glycyl-L-prolyl-glycine-NH2) was investigated using Molecular Dynamics (MD) simulations and complementary Empirical Potential Structure Refinement (EPSR) ... -
Short-range interactions of concentrated proline in aqueous solution
Busch, Sebastian; Lorenz, Christian D.; Taylor, Jonathan; Pardo Soto, Luis Carlos; McLain, Sylvia E. (2014-12-11)
Article
Accés restringit per política de l'editorialMolecular interactions for proline in a highly concentrated aqueous solution (up to 1:5 proline:water molecular ratio) have been investigated using a variety of experimental and computational techniques. Rather than the ... -
The structure of liquid water beyond the first hydration shell
Henao Aristizábal, Andrés; Busch, Sebastian; Guàrdia Manuel, Elvira; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos (2016-06-22)
Article
Accés obertTo date there is a general consensus on the structure of the first coordination shells of liquid water, namely tetrahedral short range order of molecules. In contrast, little is known about the structure at longer distances ...