Zobrazeno 1 - 10
of 135
pro vyhledávání: '"Leo Lue"'
Autor:
Klemen Bohinc, Leo Lue
Publikováno v:
AIMS Biophysics, Vol 3, Iss 1, Pp 75-87 (2016)
We examine the interaction between DNA molecules immersed in an aqueous solution of oppositely charged, trivalent spermidine molecules. The DNA molecules are modeled as planar, likecharged surfaces immersed in an aqueous solution of multivalent, rod-
Externí odkaz:
https://doaj.org/article/3a93c19fd4e946dc8e59046cb71567dc
Publikováno v:
Pruteanu, C G, Bannerman, M N, Kirsz, M, Lue, L & Ackland, G J 2023, ' From Atoms to Colloids: Does the Frenkel Line Exist in Discontinuous Potentials? ', ACS Omega, vol. 8, no. 13, pp. 12144-12153 . https://doi.org/10.1021/acsomega.2c08056
The Frenkel line has been proposed as a crossover in the fluid region of phase diagrams between a “nonrigid” and a “rigid” fluid. It is generally described as a crossover in the dynamical properties of a material and as such has been describe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::acee4bd4d8c37bce3a2ddf41d3ce97bc
https://doi.org/10.1021/acsomega.2c08056
https://doi.org/10.1021/acsomega.2c08056
Publikováno v:
Crystal Growth & Design. 22:3376-3384
Multicomponent crystals such as co-crystals, salts, and solid solutions can be used to modify physical properties of active pharmaceutical ingredients. Phase diagrams of such multicomponent crystals are essential for crystallization process developme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8e2a579f30420ca6af89fb1d81393e3
https://doi.org/10.1021/acs.cgd.2c00169
https://doi.org/10.1021/acs.cgd.2c00169
Publikováno v:
The Journal of chemical physics. 157(11)
The thermodynamics of hard spheres tethered to a Face-Centered Cubic (FCC) lattice is investigated using event-driven molecular-dynamics. The particle–particle and the particle–tether collision rates are related to the phase space geometry and ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e7326aedcb70ef286af4e7e926e4669
https://pubmed.ncbi.nlm.nih.gov/36137787
https://pubmed.ncbi.nlm.nih.gov/36137787
Publikováno v:
Energy & Fuels. 35:9937-9949
The present work examines the impact of the dimensionality of single-particle models (SPMs) for the pyrolysis of thermally thick biomass particles. It builds up comprehensive one- and three-dimensional SPMs and assesses their performances to gain a s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b2e4fd17f92027cd1c7ebf71253c3bd
https://doi.org/10.1021/acs.energyfuels.1c00283
https://doi.org/10.1021/acs.energyfuels.1c00283
Publikováno v:
Industrial & Engineering Chemistry Research. 60:7788-7801
A mathematical model for the operation of a thermal lance is developed and validated, with the focus on its heat transfer and kinetics behavior. It has been found that there is a "window"of combustion rates in which the thermal lance can operate, whi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::064ad8e90e6bef9919a0d2f56285e264
https://doi.org/10.1021/acs.iecr.1c00532
https://doi.org/10.1021/acs.iecr.1c00532
Exploring the Role of Anti-solvent Effects during Washing on Active Pharmaceutical Ingredient Purity
Publikováno v:
Organic Process Research & Development
Washing is a key step in pharmaceutical isolation to remove the unwanted crystallization solvent (mother liquor) from the active pharmaceutical ingredient (API) filter cake. This study looks at strategies for optimal wash solvent selection, which min
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b78374fb1aafb1845fdeb66ea408dd21
http://europepmc.org/articles/PMC8057229
http://europepmc.org/articles/PMC8057229
Understanding of solid-liquid equilibria for polymorphic systems is crucial for rational design and efficient operation of crystallization processes. In this work, we present a framework to determine the temperature dependent solubility based on expe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a7a6e3542d265760ba24fcb80454719
https://strathprints.strath.ac.uk/79336/7/Manson_etal_CGD_2022_Temperature_dependence_of_solubility_predicted_from_thermodynamic_data.pdf
https://strathprints.strath.ac.uk/79336/7/Manson_etal_CGD_2022_Temperature_dependence_of_solubility_predicted_from_thermodynamic_data.pdf
Publikováno v:
Crystal growthdesign. 22(4)
Diffusion controls local concentration profiles at interfaces between segregated fluid elements during mixing processes. This is important for antisolvent crystallization, where it is intuitively argued that local concentration profiles at interfaces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ae7657aafdfd0217def19b534bde4da
https://pubmed.ncbi.nlm.nih.gov/35431661
https://pubmed.ncbi.nlm.nih.gov/35431661
Six-dimensional hard hypersphere systems in the A6, D6, and E6 crystalline phases have been studied using event-driven molecular dynamics simulations in periodic, skew cells that reflect the underlying lattices. In all the simulations, the systems ha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c077ae00e45e0fa9ac26a863a3e09b9c
https://strathprints.strath.ac.uk/77913/1/Lue_etal_JCP_2021_Molecular_dynamics_study_of_six_dimensional_hard.pdf
https://strathprints.strath.ac.uk/77913/1/Lue_etal_JCP_2021_Molecular_dynamics_study_of_six_dimensional_hard.pdf