We extend recent modeling studies of proton hopping, used to describe the functioning of membrane channels and axon nerve conduction, to offer an explanation of the initiation of the nerve impulse at an effector-ligand encounter. This encounter is proposed to create a hydronium ion in the vicinity of the effector and ligand, which leads to a continuous flow of protons, called proton hopping, through water adjacent to this encounter. This proton hopping is proposed to be the message carried from the encounter to the axon of a particular nerve system associated with that particular effector-ligand system.
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http://dx.doi.org/10.1002/cbdv.201300214 | DOI Listing |
Nat Commun
January 2025
Key Laboratory of Precision and Intelligent Chemistry, Department of Applied Chemistry, School of Chemistry and Materials Science, University of Science and Technology of China, Hefei, Anhui, China.
Biological ion channels exhibit strong gating effects due to their zero-current closed states. However, the gating capabilities of artificial nanochannels have typically fallen short of biological channels, primarily owing to the larger nanopores that fail to completely block ion transport in the off-states. Here, we demonstrate solid-state hydrogen-bonded organic frameworks-based membranes to achieve high-performance ambient humidity-controlled proton gating, accomplished by switching the proton transport pathway instead of relying on conventional ion blockage/activation effects.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502, Japan.
Proton-electron mixed conductors (PEMCs) are an essential component for potential applications in hydrogen separation and energy conversion devices. However, the exploration of PEMCs with excellent mixed conduction, which is quantified by the ambipolar conductivity, σ = σσ/(σ + σ) (σ: electronic conductivity; σ: proton conductivity), is still a great challenge, largely due to the lack of structural characterization of both conducting mechanisms. In this study, we prepared a molecule-based proton-electron mixed-conducting cation radical salt, (ET)[Pt(pop)(Hpop)]·PhCN (ET: bis(ethylenedithio)tetrathiafulvalene, pop: PHO), by electrocrystallization.
View Article and Find Full Text PDFPrecis Chem
December 2024
State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.
The interfacial proton transfer (PT) reaction on the metal oxide surface is an important step in many chemical processes including photoelectrocatalytic water splitting, dehydrogenation, and hydrogen storage. The investigation of the PT process, in terms of thermodynamics and kinetics, has received considerable attention, but the individual free energy barriers and solvent effects for different PT pathways on rutile oxide are still lacking. Here, by applying a combination of ab initio and deep potential molecular dynamics methods, we have studied interfacial PT mechanisms by selecting the rutile SnO(110)/HO interface as an example of an oxide with the characteristic of frequently interfacial PT processes.
View Article and Find Full Text PDFJ Biomol Struct Dyn
December 2024
Amity Institute of Biotechnology, Amity University, Kolkata, India.
The first FDA approved, MDR-TB inhibitory drug bedaquiline (BDQ), entraps the c-ring of the proton-translocating F region of enzyme ATP synthase of , thus obstructing successive ATP production. Present-day BDQ-resistance has been associated with cardiotoxicity and mutation(s) in the atpE gene encoding the c subunit of ATP synthase (ATPc) generating five distinct ATPc mutants: Ala63→Pro, Ile66→Met, Asp28→Gly, Asp28→Val and Glu61→Asp. We created three discrete libraries, first by repurposing bedaquiline via scaffold hopping approach, second one having natural plant compounds and the third being experimentally derived analogues of BDQ to identify one drug candidate that can inhibit ATPc activity more efficiently with less toxic properties.
View Article and Find Full Text PDFDalton Trans
December 2024
School of Chemistry, University of Hyderabad, Hyderabad - 500046, India.
The development of efficient and stable proton conductors is a pivotal area of research due to their transformative potential in alternative energy technologies. Recently, there has been a surge of interest in synthesizing proton conductors based on polyoxometalate (POM) materials, attributed to their highly negatively charged and oxygen-rich surfaces. In this study, we report on a highly water-soluble giant POM, (NH)[MoO(CHCOO)(HO)]·300HO·10CHCOONH (designated as {Mo}), which was rendered insoluble in water by exchanging its ammonium cations with larger organic cations, specifically histidinium, pyridinium, bipyridinium, and methyl viologen, resulting in His-Mo132, Py-Mo132, Bpy-Mo132 and MV-Mo132, respectively.
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