Molecular Dynamics Studies of Changes in the DNA- Structure as Result of Interactions with Cisplatin [PDF]
arXiv, 2011 The 3'-monofunctional adduct of cisplatin and d(CTCTG*G*TCTC)2 duplex DNA in solvent with explicit counter ions and water molecules were subjected to MD- simulation with AMBER force field on a nanosecond time scale. In order to simulate the closure of the bond between the Pt and 5'-guanine-N7 atoms, the forces acting between them were gradually ...
arxiv
Mildly-Doped Polythiophene with Triflates for Molecular Recognition [PDF]
arXiv, 2021 Organic semiconductors have enough molecular versatility to feature chemo-specific electrical sensitivity to large families of chemical substituents via different intermolecular bonding modes. This study demonstrates that one single conducting polymer can be tuned to either discriminate water-, ethanol- or acetone-vapors, on demand, by changing the ...
arxiv
Covalent binding studies on the 14C-labeled antitumour compound 2,5-bis(1-aziridinyl)-1,4-benzoquinone. Involvement of semiquinone radical in binding to DNA, and binding to proteins and bacterial macromolecules in situ [PDF]
, 1990 2,5-Bis(1-aziridinyl)-1,4-benzoquinone (BABQ) is a compound from which several antitumour drugs are derived, such as Trenimone, Carboquone and Diaziquone (AZQ).
Egberink, Richard J.M. +5 more
core +2 more sources
Advanced Healthcare Materials, EarlyView.This perspective provides an overview of the growing interest in utilizing various gasotransmitters—small gaseous signaling molecules namely nitric oxide (NO), carbon monoxide (CO), and hydrogen sulfide (H2S)—for several therapeutic applications, with emphasis on the potential use of porous materials as carriers to provide safe and controlled local ...
Rosana V. Pinto +2 more
wiley +1 more source
Halothane potentiates the alcohol-adduct induced TNF-alpha release in heart endothelial cells
BMC Anesthesiology, 2005 Background The possibility exists for major complications to occur when individuals are intoxicated with alcohol prior to anesthetization. Halothane is an anesthetic that can be metabolized by the liver into a highly reactive product, trifluoroacetyl ...
Freeman Thomas L +6 more
doaj +1 more source
Covalent Organic Frameworks for Photocatalysis
Advanced Materials, EarlyView.This review provides an overview of recent advances in covalent organic frameworks (COFs) for photocatalysis, focusing on sustainable energy applications like water splitting, hydrogen peroxide generation, and CO2 and N2 reduction. It discusses design principles, structure‐function relationships, challenges in COF photocatalysis, and strategies to ...
Bikash Mishra +6 more
wiley +1 more source
Supramolecular Chemistry in Metal–Organic Framework Materials
Advanced Materials, EarlyView.This review highlights synergies between reticular chemistry and supramolecular chemistry. The role of supramolecular interactions in determining framework…guest interactions and attempts to understand dynamic behavior in metal–organic frameworks (MOFs), particularly emphasizing the development of crystal sponges, studying reactions in frameworks and ...
Eugenia Miguel‐Casañ +3 more
wiley +1 more source
Nitric oxide binds to the proximal heme coordination site of the ferrocytochrome c/cardiolipin complex: formation mechanism and dynamics. [PDF]
, 2010 Mammalian mitochondrial cytochrome c interacts with cardiolipin to form a complex (cyt. c/CL) important in apoptosis. Here we show that this interaction leads to structural changes in ferrocytochrome c that leads to an open coordinate site on the central
Husu, I +4 more
core +4 more sources
Recent Advances in Wide‐Bandgap Perovskite Solar Cells
Advanced Materials, EarlyView.Ubiquitous defects predominately account for photo‐instability and open‐circuit voltage losses in wide‐bandgap perovskite solar cells (WBG PSCs). This review comprehensively presents the underlying impact mechanisms, summarizes the advanced optimization strategies across various functional layers and their interfaces to develop efficient and stable WBG
Jianjun Mei, Feng Yan
wiley +1 more source
Study on the Electronic Structure and Stability of Some Endohedral Fullerenes - RE3N@C80 (RE = Sc, Y, La) by PM7 [PDF]
arXiv, 2014 In this paper, we investigated the electronic structure of some endohedral fullerenes containing rare earth nitride and the stability of their benzyne-adducts by PM7, the semiempirical Hatree-Fock method.
arxiv