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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...

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)...

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...

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...

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...

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...

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...

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...

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...

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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