Chem. Sci., 2023, 14,10786-10794
DOI: 10.1039/D3SC04263D, Edge Article

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Shaopeng Li, Kangsheng Huang, Langyuan Wu, Dewei Xiao, Jiang Long, Chenhui Wang, Hui Dou, Pu Chen, Xiaogang Zhang
This study employs C₈H₁₂N₂O₂–LiNO₃ additive in lithium metal batteries. The modified electrolyte shows potential for improving battery performance under anode free and high voltage conditions.
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Chem. Sci., 2023, 14,10736-10743
DOI: 10.1039/D3SC04130A, Edge Article

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Kun-You Chung, Ain Uddin, Zachariah A. Page
Novel boron dipyrromethene (BODIPY) photocages release a strong organobase, tetramethylguanidine, with record efficiency upon green light exposure to enable rapid anionic step-growth polymerizations.
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Chem. Sci., 2023, 14,10971-10978
DOI: 10.1039/D3SC03987K, Edge Article

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Naohiro Hirako, Takeshi Yasui, Yoshihiko Yamamoto
A practical approach for preparing 3,4-fused 2-quinolones has been disclosed. The Rh(III)-catalyzed highly selective alkenyl C–H activation/annulation of 4-amino-2-quinolones was achieved via an unprecedented reversible alkyne insertion.
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Chem. Sci., 2023, 14,10934-10943
DOI: 10.1039/D3SC03709F, Edge Article

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Wan-Lu Li, Kaixuan Chen, Elliot Rossomme, Martin Head-Gordon, Teresa Head-Gordon
We investigate the transferability of NLCC pseudopotentials (PPs) using the GTH protocol with various functionals (GGA, meta-GGA, hybrid), exploring their effects on thermochemical and non-thermochemical properties.
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Chem. Sci., 2023, 14,10902-10913
DOI: 10.1039/D3SC01930F, Edge Article

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Jake Williams, Eric Jonas
FullSSPrUCe is an uncertainty-aware deep learning system which predicts all spin system parameters from 2D structures through rapid estimates of conformational geometries.
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Chem. Sci., 2023, 14,10892-10901
DOI: 10.1039/D3SC03230B, Edge Article

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Chang-Yu Wang, Jia-Ge Jia, Guo-Guo Weng, Ming-Feng Qin, Kui Xu, Li-Min Zheng
Macroscopic chirality of right-handed Tb(R-cyampH)₃·3H₂O superhelices can be inversed by controlling the doping ratio of homochiral ligand analogue R-XpempH₂ (X = H, F, Cl, Br), where pempH₂ can introduce new weak interactions into the system.
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Chem. Sci., 2023, 14,10962-10970
DOI: 10.1039/D3SC03822J, Edge Article

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N. V. Cornelissen, R. Mineikaitė, M. Erguven, N. Muthmann, A. Peters, A. Bartels, A. Rentmeister
Novel S-adenosyl-L-methionine analogues were generated enzymatically and used for regioselective benzylation of biomolecules. Applied to the mRNA 5′ cap, protein production in cells can be increased and immunogenicity altered.
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Chem. Sci., 2023, 14,10884-10891
DOI: 10.1039/D3SC03719C, Edge Article

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Jiahui Li, Zenghui Cui, Chaochao Fan, Yifei Zhou, Mengtian Ren, Chuanzheng Zhou
Photo-irradiation of PBDA-modified DNA generates a long-lived intermediate that reacts selectively with Lys residues of DNA-binding proteins, leading to higher crosslink yields than traditional photo-crosslinkers such as benzophenone and diazirine.
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Chem. Sci., 2023, 14,10875-10883
DOI: 10.1039/D3SC03056C, Edge Article

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Anwesha Chakraborty, Pradipta Kumar Das, Biman Jana, Suhrit Ghosh
This article reports alternating supramolecular copolymerization of two naphthalene-diimide (NDI)-derived building blocks (NDI-1 and NDI-2) under thermodynamic control.
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Chem. Sci., 2023, 14,10867-10874
DOI: 10.1039/D3SC03996J, Edge Article

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Bo Jiang, Wu-Tao Gui, Hao-Tian Wang, Ke Xie, Zhi-Chao Chen, Lei Zhu, Qin Ouyang, Wei Du, Ying-Chun Chen
A variety of deactivated heteroarenes tethered to an unsaturated carbonyl motif can participate in asymmetric Friedel–Crafts reactions with diverse electrophilic reagents catalysed by a chiral Pd⁰-complex.
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