MolE8: Finding DFT Potential Energy Surface Minima Values from Force-Field Optimised Organic Molecules with New Machine Learning Representations

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D1SC06324C, Edge Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jonathan Goodman, Kristaps Ermanis, Sahna LeeThe use of machine learning techniques in computational chemistry has gained significant momentum since large molecular databases are...

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Oxygen-supplied mesoporous carbon nanoparticles for enhanced photothermal/photodynamic synergetic therapy against antibiotic-resistant bacterial infections

Chem. Sci., 2022, Advance ArticleDOI: 10.1039/D2SC01740G, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jiamei Zhou, Wenjie Wang, Qiuyang Zhang, Zijun Zhang, Jiangna Guo, Feng YanWe report oxygen saturated perfluorohexane (PFH)-loaded mesoporous carbon nanoparticles (CIL@ICG/PFH@O2)...

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Total synthesis of Lentinusgiganteus glycans with antitumor activities via stereoselective α-glycosylation and orthogonal one-pot glycosylation strategies

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D2SC02176E, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yunqin Zhang, Yanlei Hu, Shanshan Liu, Haiqing He, Roujing Sun, Gang Lu, Guozhi XiaoThe accessibility to long, branched and complex glycans containing many 1,2-cis glycosidic...

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Controlled assembly of a bicyclic porphyrinoid and Its 3-dimensional boron difluoride arrays

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D2SC01635D, Edge Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Weinan Zhou, Tridib Sarma, Yang Liu, Chuanhu Lei, Jonathan L. SesslerA fully conjugated cryptand-like bicyclic porphyrinoid ligand 4, incorporating three carbazole linkages and four...

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Aldehyde-functional thermoresponsive diblock copolymer worm gels exhibit strong mucoadhesion

Chem. Sci., 2022, Advance ArticleDOI: 10.1039/D2SC02074B, Edge Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Emma E. Brotherton, Thomas J. Neal, Daulet B. Kaldybekov, Mark J. Smallridge, Vitaliy V. Khutoryanskiy, Steven P. ArmesOptimizing the aldehyde content of thermoresponsive diblock copolymer...

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Bisulfite-free and single-nucleotide resolution sequencing of DNA epigenetic modification of 5-hydroxymethylcytosine by engineered deaminase

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D2SC01052F, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Neng-Bin Xie, Min Wang, Tong-Tong Ji, Xia Guo, Jiang-Hui Ding, Bi-Feng Yuan, Yu-Qi FengThe discovery of 5-hydroxymethylcytosine (5hmC) in mammalian genomes is a...

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A peptide-derived strategy for specifically targeting the mitochondria and ER of cancer cells: a new approach in fighting cancer

Chem. Sci., 2022, Advance ArticleDOI: 10.1039/D2SC01934E, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yang Sung Sohn, Anat losub-Amir, Alfredo E. Cardenas, Ola Karmi, Merav Darash Yahana, Tal Gruman, Linda Rowland, Henri-Baptiste Marjault, Lauren J. Webb, Ron Mittler, Ron...

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Theoretical Prediction of Graphene-like 2D Uranyl Material with p-Orbital Antiferromagnetism

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D2SC02017C, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Xiao-Kun Zhao, Chang-Su Cao, Jin-Cheng Liu, Jun-Bo Lu, Jun Li, Han-Shi HuVersatile graphene-like two-dimensional materials with s-, p- and d-block elements have aroused...

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Red Aqueous Room-Temperature Phosphorescence Modulated by Anion-π and Intermolecular Electronic Coupling Interactions

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D1SC06503C, Edge Article Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Fengbo Liu, Hai Yang, Dongdong Sun, Fang Gao, Xiongzhi Zhang, Zhiyong Zhao, Han Xie, Simin LiuAqueous room temperature phosphorescence (aRTP) from purely organic materials...

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Expanding the hydride chemistry: Antiperovskites A3MO4H (A = Rb, Cs; M = Mo, W) introducing the transition oxometalate hydrides

Chem. Sci., 2022, Accepted ManuscriptDOI: 10.1039/D2SC01861F, Edge Article Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alexander Mutschke, Annika Schulz, Marko Bertmer, Antti J Karttunen, Clemens Ritter, Gregor Kieslich, Nathalie KunkelAbstract: The four compounds A3MO4H (A = Rb, Cs; M = Mo, W) are...

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