The molecular underpinnings of the uncontrolled release of proinflammatory cytokines and chemokines ('cytokine storm'), which can cause organ damage and even mortality, are not completely understood. Furthermore, targeted therapeutic options to dampen such hyperinflammation are scarce. Here, we highlight the ways in which technological advances have set the stage for a new age of synergy between experimental and computational researchers to guide the discovery of novel therapeutic targets for modulating hyperinflammation.
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http://dx.doi.org/10.1016/j.it.2021.11.004 | DOI Listing |
Front Artif Intell
January 2025
Department of Computer Science and Artificial Intelligence, College of Computing and Information Technology, University of Bisha, Bisha, Saudi Arabia.
Cardiac disease refers to diseases that affect the heart such as coronary artery diseases, arrhythmia and heart defects and is amongst the most difficult health conditions known to humanity. According to the WHO, heart disease is the foremost cause of mortality worldwide, causing an estimated 17.8 million deaths every year it consumes a significant amount of time as well as effort to figure out what is causing this, especially for medical specialists and doctors.
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January 2025
Department of Psychosomatic Medicine and Psychotherapy, LWL-University Hospital, Ruhr-Universität Bochum, Bochum, Germany.
Introduction: Intrusive memories occur frequently after potentially traumatic events and form a core symptom of posttraumatic stress disorder (PTSD) if they persist. The translational approach of visuospatial interventions tries to target those intrusive memories in order to reduce their frequency predominantly using an intervention including as one component the computer game Despite promising results, the application of has critical drawbacks, e.g.
View Article and Find Full Text PDFChem Sci
January 2025
College of Chemistry and Chemical Engineering, Key (Guangdong-Hong Kong Joint) Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University Shantou 515063 P. R. China
In the past few years, the direct activation of organohalides by ligated boryl radicals has emerged as a potential synthetic tool for cross-coupling reactions. In most existing methods, ligated boryl radicals are accessed from NHC-boranes or amine-boranes. In this work, we report a new photocatalytic platform by modular assembly of readily available amines and diboron esters to access a library of ligated boryl radicals for reaction screening, thus enabling the cross-coupling of organohalides and alkenes including both activated and unactivated ones for C(sp)-C(sp) bond formation by using the assembly of DABCO A1 and BNepB1.
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January 2025
Chemical Sciences Division, Oak Ridge National Laboratory Oak Ridge TN 37830 USA
The successful design and deployment of next-generation nuclear technologies heavily rely on thermodynamic data for relevant molten salt systems. However, the lack of accurate force fields and efficient methods has limited the quality of thermodynamic predictions from atomistic simulations. Here we propose an efficient free energy framework for computing chemical potentials, which is the central free energy quantity behind many thermodynamic properties.
View Article and Find Full Text PDFFront Robot AI
January 2025
School of Metallurgy and Materials, University of Birmingham, Birmingham, United Kingdom.
Introduction: The transition to electric vehicles (EVs) has highlighted the need for efficient diagnostic methods to assess the state of health (SoH) of lithium-ion batteries (LIBs) at the end of their life cycle. Electrochemical Impedance Spectroscopy (EIS) offers a non-invasive technique for determining battery degradation. However, automating this process in industrial settings remains a challenge.
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