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Benchmarking DFT Functionals for Excited-State Calculations of Donor-Acceptor TADF Emitters: Insights on the Key Parameters Determining Reverse Inter-System Crossing.
Publication Type: Academic Journal
Source(s): The journal of physical chemistry. A [J Phys Chem A] 2023 Jun 01; Vol. 127 (21), pp. 4743-4757. Date of Electronic Publication: 2023 May 17.
Abstract: The importance of intermediate triplet states and the nature of excited states has gained interest in recent years for the thermally activated delayed fluorescence (TADF) mechanism. It is widely accepted that simple conversion between charge transfer (...
Mechano-control of Extracellular Electron Transport Rate via Modification of Inter-heme Coupling in Bacterial Surface Cytochrome.
Publication Type: Academic Journal
Source(s): Environmental science & technology [Environ Sci Technol] 2023 May 16; Vol. 57 (19), pp. 7421-7430. Date of Electronic Publication: 2023 Apr 20.
Abstract: Bacterial outer-membrane multi-heme cytochromes (OMCs) mediate extracellular electron transport (EET). While heme alignment dictates the rate of EET, control of inter-heme coupling in a single OMC remains challenging, especially in intact cells. Given ...
Phosphatidylinositol 4,5-Bisphosphate Sensing Lipid Raft via Inter-Leaflet Coupling Regulated by Acyl Chain Length of Sphingomyelin.
Publication Type: Academic Journal
Source(s): Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2023 May 02; Vol. 39 (17), pp. 5995-6005. Date of Electronic Publication: 2023 Apr 22.
Abstract: Phosphatidylinositol 4,5-bisphosphate (PIP 2 ) is an important molecule located at the inner leaflet of cell membrane, where it serves as anchoring sites for a cohort of membrane-associated molecules and as a broad-reaching signaling intermediate. The ...
Enhanced Fluorescence by Inter/Intramolecular Hydrogen Bonding in Si-Substituted Coumarins.
Publication Type: Academic Journal
Source(s): The journal of physical chemistry. B [J Phys Chem B] 2023 Apr 13; Vol. 127 (14), pp. 3187-3196. Date of Electronic Publication: 2023 Apr 04.
Abstract: Introducing heteroatoms in organic fluorophores offers a unique strategy to tune their photophysical properties without dangling structural decorations. Silicon-substituted coumarins (Si-coumarins) are the analogues of coumarin with the substitution of...
Intrinsic Properties of GO/RGO Bilayer Electrodes Dictate Their Inter-/Intralayer Intractability to Modulate Their Capacitance Performance.
Publication Type: Academic Journal
Source(s): ACS omega [ACS Omega] 2023 Apr 05; Vol. 8 (15), pp. 14013-14024. Date of Electronic Publication: 2023 Apr 05 (Print Publication: 2023).
Abstract: The demand for high-capacity energy storage along with high power output and faster charging has made supercapacitors a key area of energy research. The charge storage capacity of capacitors is largely dependent on the electrode materials utilized. To ...
Continuous Flow Inter- and Intramolecular Macrolactonization under High Dilution Conditions.
Publication Type: Academic Journal
Source(s): The Journal of organic chemistry [J Org Chem] 2023 Mar 17; Vol. 88 (6), pp. 3740-3759. Date of Electronic Publication: 2023 Mar 02.
Abstract: An efficient continuous flow process for the macrolactonization of seco acids and diacids using diols in the presence of Mukaiyama reagent ( N -methyl-2-chloropyridinium iodide) has been developed for medium to large sized macrocyclic lactones. In comp...
Inter-Organelle Contact Sites Mediate the Intracellular Antioxidant Activity of Platinum Nanozymes: A New Perspective on Cell-Nanoparticle Interaction and Signaling.
Publication Type: Academic Journal
Source(s): ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2023 Jan 25; Vol. 15 (3), pp. 3882-3893. Date of Electronic Publication: 2023 Jan 11.
Abstract: The catalytic and antioxidant properties of platinum nanoparticles (PtNPs) make them promising candidates for several applications in nanomedicine. However, an open issue, still shared among most nanomaterials, is the understanding on how internalized ...
Environmental Health, Racial/Ethnic Health Disparity, and Climate Impacts of Inter-Regional Freight Transport in the United States.
Publication Type: Academic Journal
Source(s): Environmental science & technology [Environ Sci Technol] 2023 Jan 17; Vol. 57 (2), pp. 884-895. Date of Electronic Publication: 2022 Dec 29.
Abstract: We quantify and compare three environmental impacts from inter-regional freight transportation in the contiguous United States: total mortality attributable to PM 2.5 air pollution, racial-ethnic disparities in PM 2.5 -attributable mortality, and CO 2 ...
Synthesis of Oligonucleotides Carrying Inter-nucleotide N‑(Benzoazole)-phosphoramide Moieties.
Publication Type: Academic Journal
Source(s): ACS Omega; 1/10/2023, Vol. 8 Issue 1, p1556-1566, 11p
Inter-domain Flexibility of Human Ser/Arg-Rich Splicing Factor 1 Allows Variable Spacer Length in Cognate RNA's Bipartite Motifs.
Publication Type: Academic Journal
Source(s): Biochemistry; 12/20/2022, Vol. 61 Issue 24, p2922-2932, 11p