An extension of classical irreversible thermodynamics pioneered by Ilya Prigogine is developed, in which fluctuations of macroscopic observables accounting for microscopic-scale processes are incorporated. The contribution of the fluctuations to the entropy production is derived from a generalized entropy balance equation and expressed in terms of the fluctuating variables, via an extended local equilibrium Ansatz and in terms of the probability distributions of these variables. The approach is illustrated on reactive systems involving linear and nonlinear steps, and the role of the distance from equilibrium and of the nonlinearities is assessed.
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http://dx.doi.org/10.1063/1.5001303 | DOI Listing |
Membranes (Basel)
November 2024
Institute of Environmental and Chemical Engineering, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10 Pardubice, Czech Republic.
The widespread use of antimicrobial drugs has contributed to the increasing trace levels of contaminants in the environment, posing an environmental problem and a challenge to modern-day medicine seeking advanced solutions. Nanofiltration is one such breakthrough solution for the selective removal of antibiotics from wastewater due to their high efficiency, scalability, and versatility. This study examines the separation of antibiotics (sulfamethoxazole (SMX), trimethoprim (TMP), and metformin (MET), respectively) using commercially available membranes with an emphasis on AFC membranes (AFC 30 and AFC 80).
View Article and Find Full Text PDFBiosystems
December 2024
Departamento de Estado Sólido, Instituto de Física, Universidad Nacional Autónoma de México, Circuito de la Investigación Científica, Ciudad Universitaria, Ciudad de México, 04510, México.
A prebiotic model, based in the framework of thermodynamic efficiency loss from small dissipative eukaryote organisms [1-3], is developed to describe the maximum possible concentration of solar power to be dissipated on topological circular molecules structures encapsulated in lipid-walled vacuoles, which floated in the Archean oceans. By considering previously, the analysis of 71 species examined by covering 18 orders of mass magnitude from the Megapteranovaeangliae to Saccharomyces cerevisiae[2], suggest that in molecular structures of smaller masses than any living being known nowadays, the power dissipation must be directly proportional to the power of the photons of solar origin that impinge them to give rise to the formation of more complex self-assembled molecular structures at the prebiotic stage by a quantum mechanics model of resonant photon wavelength excitation. The analysis of 12 circular molecules (encapsulated in lipid-walled vacuoles) relevant to the evolution of life on planet Earth such as the five nucleobases, and some aromatic molecules as pyrimidine, porphyrin, chlorin, coumarin, xanthine, etc.
View Article and Find Full Text PDFBiosystems
December 2024
ProtoBioCybernetics & Protocellular Metabolomics, The Gene Emergence Project, The Origin Of Life Science Foundation, Inc. Electronic address:
Any homeostatic protometabolism would have required orchestration of disparate biochemical pathways into integrated circuits. Extraordinarily specific molecular assemblies were also required at the right time and place. Assembly Theory conflated with its cousins-Complexity Theory, Chaos theory, Quantum Mechanics, Irreversible Nonequilibrium Thermodynamics and Molecular Evolution theory- collectively have great naturalistic appeal in hopes of their providing the needed exquisite steering and controls.
View Article and Find Full Text PDFPhys Life Rev
December 2024
Institute of Protein Research, Russian Academy of Sciences, Pushchino, Moscow Region, 142290, Russian Federation. Electronic address:
This review presents the current understanding of (i) spontaneous self-organization of spatial structures of protein molecules, and (ii) possible ways of chaperones' assistance to this process. Specifically, we overview the most important features of spontaneous folding of proteins (mostly, of the single-domain water-soluble globular proteins): the choice of the unique protein structure among zillions of alternatives, the nucleation of the folding process, and phase transitions within protein molecules. We consider the main experimental facts on protein folding, both in vivo and in vitro, of both kinetic and thermodynamic nature.
View Article and Find Full Text PDFACS Org Inorg Au
December 2024
Instituto de Ciencias Químicas, Facultad de Agronomía y Agroindustrias (FAyA), Universidad Nacional de Santiago del Estero (UNSE), CONICET, Av. Belgrano Sur 1912, Santiago del Estero 4200, Argentina.
In the present work, the oxidation mechanism of di--butyl-hydroxytoluene (BHT) was studied in an aqueous medium through different approaches to have a thorough vision of the physical chemistry: experiments with cyclic voltammetry (CV), quantum chemical calculations, and simulations of CV. Calculations of thermodynamic parameters, such as p and standard oxidation potential ( °), were used to analyze and rationalize the CV experiments. Subsequently, different pathways of the mechanism were constructed, and the most thermodynamically favorable one was selected.
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