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   Hong, Young Hyun ; Jang, Yuri ; Ezhov, Roman ; Seo, Mi Sook ; Lee, Yong-Min ; Pandey, Bhawana ; Hong, Seungwoo ; Pushkar, Yulia ; Fukuzumi, Shunichi ; Nam, Wonwoo ( March 2021 , ACS Catalysis)
2. Monocationic Iridium(III) Complexes with Far-Red Charge-Transfer Absorption and Near-IR Emission: Synthesis, Photophysics, and Reverse Saturable Absorption: Monocationic Iridium(III) Complexes with Far-Red Charge-Transfer Absorption and Near-IR Emission: Synthesis, Photophysics, and Reverse Saturable Absor

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3. OneDataShare - A Vision for Cloud-hosted Data Transfer Scheduling and Optimization as a Service [OneDataShare - A Vision for Cloud-hosted Data Transfer Scheduling and Optimization as a Service]

   https://doi.org/10.5220/0006793506160625  

   Imran, Asif ; Nine, Md S. ; Guner, Kemal ; Kosar, Tevfik ( January 2018 , Proceedings of the 8th International Conference on Cloud Computing and Services Science)

   Fast, reliable, and efficient data transfer across wide-area networks is a predominant bottleneck for dataintensive cloud applications. This paper introduces OneDataShare, which is designed to eliminate the issues plaguing effective cloud-based data transfers of varying file sizes and across incompatible transfer end-points. The vision of OneDataShare is to achieve high-speed data transfer, interoperability between multiple transfer protocols, and accurate estimation of delivery time for advance planning, thereby maximizing user-profit through improved and faster data analysis for business intelligence. The paper elaborates on the desirable features of OneDataShare as a cloud-hosted data transfer scheduling and optimization service, and how it is aligned with the vision of harnessing the power of the cloud and distributed computing. Experimental evaluation and comparison with existing real-life file transfer services show that the transfer throughout achieved by OneDataShare is up to 6.5 times greater compared to other approaches.
4. Mass spectrometry and computational study of collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation: intra-base-pair proton transfer and hydrogen transfer, non-statistical dissociation, and reaction with a water ligand

   https://doi.org/10.1039/d0cp01788d  

   Sun, Yan ; Moe, May Myat ; Liu, Jianbo ( July 2020 , Physical Chemistry Chemical Physics)

   A combined experimental and theoretical study is presented on the collision-induced dissociation (CID) of 9-methylguanine–1-methylcytosine base-pair radical cation (abbreviated as [9MG·1MC]˙ + ) and its monohydrate ([9MG·1MC]˙ + ·H 2 O) with Xe and Ar gases. Product ion mass spectra were measured as a function of collision energy using guided-ion beam tandem mass spectrometry, from which cross sections and threshold energies for various dissociation pathways were determined. Electronic structure calculations were performed at the DFT, RI-MP2 and DLPNO-CCSD(T) levels of theory to identify product structures and map out reaction potential energy surfaces. [9MG·1MC]˙ + has two structures: a conventional structure 9MG˙ + ·1MC (population 87%) consisting of hydrogen-bonded 9-methylguanine radical cation and neutral 1-methylcytosine, and a proton-transferred structure [9MG − H]˙·[1MC + H] + (less stable, population 13%) formed by intra-base-pair proton transfer from the N1 of 9MG˙ + to the N3 of 1MC within 9MG˙ + ·1MC. The two structures have similar dissociation energies but can be distinguished in that 9MG˙ + ·1MC dissociates into 9MG˙ + and 1MC whereas [9MG – H]˙·[1MC + H] + dissociates into neutral [9MG – H]˙ radical and protonated [1MC + H] + . An intriguing finding is that, in both Xe- andmore »Ar-induced CID of [9MG·1MC]˙ + , product ions were overwhelmingly dominated by [1MC + H] + , which is contrary to product distributions predicted using a statistical reaction model. Monohydration of [9MG·1MC]˙ + reversed the populations of the conventional structure (43%) vs. the proton-transferred structure (57%) and induced new reactions upon collisional activation, of which intra-base-pair hydrogen transfer produced [9MG + H] + and the reaction of the water ligand with a methyl group in [9MG·1MC]˙ + led to methanol elimination from [9MG·1MC]˙ + ·H 2 O.« less
5. Mixed Quantum Classical Simulations of Charge-Transfer Dynamics in a Model Light-Harvesting Complex. I. Charge-Transfer Dynamics

   https://doi.org/10.1021/acs.jpcb.0c00202  

   Patel, Kush ; Bittner, Eric R. ( March 2020 , The Journal of Physical Chemistry B)