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OptiMo-LDLr: an integrated In silico model with enhanced predictive power for LDL receptor variants, unraveling hot spot pathogenic residues
(Wiley, 2024-04)
Familial hypercholesterolemia (FH) is an inherited metabolic disease affecting cholesterol metabolism, with 90% of cases caused by mutations in the LDL receptor gene (LDLR), primarily missense mutations. This study aims ...
Temperature dependence of the rate coefficient of formation of CN radical from C + NH
(Elsevier, 2021-05)
Rate coefficients of the complex-forming C + NHH + CN reaction have been calculated at temperatures ranging from 5 K to 800 K using quasi-classical trajectories on a potential energy surface which accurately describes the ...
Microscopic mechanism of radionuclide Cs retention in Al containing C-S-H nanopores
(Elsevier, 2021-04)
Cementitious materials act as a retaining barrier, immobilizing liquid and solid radioactive waste and preventing their release into the biosphere. The retention capability of hydrated cement paste and its main hydration ...
Vanishing efficiency of speeded-up quantum Otto engines
(IOP, 2019-08-28)
We assess the energy cost of shortcuts to adiabatic expansions or compressions of a harmonic oscillator, the power strokes of a quantum Otto engine. Difficulties to identify the cost stem from the interplay between different ...
Photodynamics of azaindoles in polar media: the influence of the environment
(RSC, 2024)
We have studied the relaxation dynamics of a family of azaindole (AI) structural isomers, 4-, 5-, 6- and 7-AI, by steady-state and time-resolved methods (fs-transient absorption and fluorescence up-conversion), in solvents ...
Liquid-crystalline, liquid-ordered, rippled and gel lipid bilayer phases as observed with nile red fluorescence
(Elsevier, 2022-10)
The basic matrix of cellular membranes consists of a double layer (bilayer) of phospholipids. Semisynthetic lipid bilayers are commonly used in biophysical studies of membranes. According to tem-perature and composition, ...
Confinement of a Styryl Dye into Nanoporous Aluminophosphates: Channels vs. Cavities
(MDPI, 2024-03-22)
Styryl dyes are generally poor fluorescent molecules inherited from their flexible molecular structures. However, their emissive properties can be boosted by restricting their molecular motions. A tight confinement into ...
Evaluation of Various Types of Alginate Inks for Light-Mediated Extrusion 3D Printing
(MDPI, 2024-04-04)
Naturally derived biopolymers modifying or combining with other components are excellent candidates to promote the full potential of additive manufacturing in biomedicine, cosmetics, and the food industry. This work aims ...
Extrusion-Based 3D Printing of Photocrosslinkable Chitosan Inks
(MDPI, 2024-02-04)
Photocuring of chitosan has shown great promise in the extrusion-based 3D printing of scaffolds for advanced biomedical and tissue engineering applications. However, the poor mechanical stability of methacrylated chitosan ...
De Novo Access to BODIPY C-Glycosides as Linker-Free Nonsymmetrical BODIPY-Carbohydrate Conjugates
(ACS, 2024-03)
Recent years have witnessed an increasing interest in the synthesis and study of BODIPY-glycoconjugates. Most of the described synthetic methods toward these derivatives involve postfunctional modifications of the BODIPY ...