A framework for the stochastic description of relaxation processes in flexible macromolecules, including dissipative effects, is introduced from an atomistic point of view. Projection-operator techniques are employed to obtain multidimensional Fokker-Planck operators governing the relaxation of internal coordinates and global degrees of freedom and depending upon parameters fully recoverable from classic force fields (energetics) and continuum models (friction tensors). A hierarchy of approaches of different complexity is proposed in this unified context, aimed primarily at the interpretation of magnetic resonance relaxation experiments. In particular, a model based on a harmonic internal Hamiltonian is discussed as a test case.
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http://dx.doi.org/10.1063/1.5077065 | DOI Listing |
Sci Rep
January 2025
Department of Psychiatry and Psychotherapy, Central Institute of Mental Health, Medical Faculty Mannheim, University of Heidelberg, J5, 68159, Mannheim, Germany.
Inflammatory processes have been implicated in the pathophysiology of depression. In human studies, inflammation has been shown to act as a critical disease modifier, promoting susceptibility to depression and modulating specific endophenotypes of depression. However, there is scant documentation of how inflammatory processes are associated with neural activity in patients with depression.
View Article and Find Full Text PDFCell Commun Signal
January 2025
Beijing An Zhen Hospital, Capital Medical University, The Key Laboratory of Remodeling Cardiovascular Diseases, Ministry of Education; Collaborative Innovation Center for Cardiovascular Disorders, Beijing Institute of Heart Lung and Blood Vessel Disease, Beijing, 100029, China.
Background: The potential role of Klebsiella pneumoniae (K.pn) in hypertension development has been emphasized, although the specific mechanisms have not been well understood. Bacterial extracellular vesicles (BEVs) released by Gram-negative bacteria modulate host cell functions by delivering bacterial components to host cells.
View Article and Find Full Text PDFBiomaterials
January 2025
State Key Laboratory of Oral Diseases & National Center for Stomatology & National Clinical Research Center for Oral Diseases, West China Hospital of Stomatology, Sichuan University, Chengdu, Sichuan, China. Electronic address:
Materials (Basel)
December 2024
Institute of Joining and Welding, Technical University of Braunschweig, 38106 Braunschweig, Germany.
In accordance with German guideline ZTV-ING Part 4, full-locked coil ropes are provided with a three-layer corrosion protection coating based on epoxy resin and polyurethane, which must be renewed regularly. An alternative method is to use a coating of high-density polyethylene (HDPE), which is extruded onto the rope. In this article, the mechanical behavior of the thermoplastic material is studied, taking into account various accelerated aging processes, which are derived from the climatic boundary conditions of a real bridge structure and implemented in tests.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Faculty of Physics and Astronomy, University of Wroclaw, 9 Maxa Born Square, 50-204 Wroclaw, Poland.
This research explores how varying proportions of virgin polyethylene terephthalate (vPET) and recycled polyethylene terephthalate (rPET) in vPET-rPET blends, combined with preform thermal conditions during the stretch blow molding (SBM) process, influence PET bottles' microscopic characteristics. Key metrics such as viscosity, density, crystallinity, amorphous phase relaxation, and microcavitation were assessed using response surface methodology (RSM). Statistical analysis, including Analysis of variance (ANOVA) and its power, supported the interpretation of results.
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