Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01512A, Edge Article

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David Haddleton, Evelina Liarou, Yisong Han, Marc Walker, Ana Sanchez
The first rapidly self-deoxygenating Cu-RDRP in aqueous media is investigated. The disproportionation of Cu(I)/Me₆Tren in water towards Cu(II) and highly reactive Cu(0) leads to O₂-free reaction environments within the first...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01146K, Edge Article

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Ya-Ru Zhang, Jia-Qi Luo, Jia-Xian Li, Qiu-Yue Huang, Xiao-Xiao Shi, Yong-Cong Huang, Kam W Leong, Weiling He, Jinzhi Du
Herein, a versatile strategy for the construction of biofunctional Janus particles (JPs) through the combination of Pickering emulsion and copper-free click chemistry is developed for the study of particle-mediated cell-cell interactions. A...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00875C, Edge Article

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Stephen C. Purdy, Ranga Rohit Seemakurthi, Garrett M. Mitchell, Mark Davidson, Brooke A. Lauderback, Siddharth Deshpande, Zhenwei Wu, Evan C. Wegener, Jeffrey Greeley, Jeffrey T. Miller
Alloying is well-known to improve the dehydrogenation selectivity of pure metals, but there remains considerable debate about the structural and electronic features of alloy surfaces that give rise to this behavior.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01238F, Edge Article

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Qiang Wang, Fabien Lucas, Cassandre Quinton, Yang-Kun Qu, Joëlle Rault-Berthelot, Olivier Jeannin, Sheng-Yi Yang, Fan-Cheng Kong, Sarvendra Kumar, Liang-Sheng Liao, Cyril Poriel, Zuo-Quan Jiang
In this work, we propose pure hydrocarbon materials as universal hosts for high-efficiency red, green and blue phosphorescent organic light-emitting diodes.
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Chem. Sci., 2020, 11,4287-4296
DOI: 10.1039/C9SC06006E, Minireview

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Joseph Derosa, Omar Apolinar, Taeho Kang, Van T. Tran, Keary M. Engle
Nickel-catalyzed three-component alkene difunctionalization has rapidly emerged as a powerful tool for forging multiple C–C bonds in a single step.
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Chem. Sci., 2020, 11,4351-4359
DOI: 10.1039/D0SC00442A, Edge Article

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Alexander Howarth, Kristaps Ermanis, Jonathan M. Goodman
A robust system for automatic processing and assignment of raw ¹³C and ¹H NMR data DP4-AI has been developed and integrated into our computational organic molecule structure elucidation workflow.
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Chem. Sci., 2020, 11,4322-4331
DOI: 10.1039/C9SC05589D, Edge Article

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Hikaru Aramoto, Motofumi Osaki, Subaru Konishi, Chiharu Ueda, Yuichiro Kobayashi, Yoshinori Takashima, Akira Harada, Hiroyasu Yamaguchi
A hydrogel actuator with a 1:2 host–guest complex controlled by redox stimuli has been developed to realize faster and larger deformation.
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Chem. Sci., 2020, 11,4305-4311
DOI: 10.1039/D0SC01159B, Edge Article

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Yoshitaka Aramaki, Naoki Imaizumi, Mao Hotta, Jun Kumagai, Takashi Ooi
Radical–ion pair generation from common Lewis pairs and its application to catalytic carbon–carbon bond formation.
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Chem. Sci., 2020, 11,4332-4339
DOI: 10.1039/D0SC01084G, Edge Article

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Kathiravan Murugesan, Zhihong Wei, Vishwas G. Chandrashekhar, Haijun Jiao, Matthias Beller, Rajenahally V. Jagadeesh
A Ni-triphos based homogeneous catalyst enabled the synthesis of all kinds of primary amines by reductive amination of carbonyl compounds with ammonia and hydrogenation of nitroarenes.
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Chem. Sci., 2020, 11,4312-4321
DOI: 10.1039/D0SC00569J, Edge Article

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E. J. Cornel, P. S. O'Hora, T. Smith, D. J. Growney, O. O. Mykhaylyk, S. P. Armes
Dilute dispersions of poly(lauryl methacrylate)-poly(benzyl methacrylate) diblock copolymer spheres of differing mean diameter are mixed and thermally annealed at 150 °C to produce either spherical or non-spherical nanoparticles of intermediate size.
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Chem. Sci., 2020, 11,4340-4350
DOI: 10.1039/D0SC00292E, Edge Article

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An-An Sun, Shang-Peng Gao, Gong Gu
A refreshed view of chemical bonds in solids unveils unusual bonding in fivefold coordinated bulk crystals of octet compounds: out-of-plane cation–anion chain bonding via overlapping p_z orbitals replaces in-plane π bonding of the isolated monolayer.
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Chem. Sci., 2020, 11,4403-4409
DOI: 10.1039/D0SC01704C, Edge Article

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Sheng Hong, Di-Wei Zheng, Qiu-Ling Zhang, Wei-Wei Deng, Wen-Fang Song, Si-Xue Cheng, Zhi-Jun Sun, Xian-Zheng Zhang
A technique named the Microcolor system was developed to detect microbes and diagnose diseases based on changes in microbiota signatures.
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Chem. Sci., 2020, 11,4450-4455
DOI: 10.1039/D0SC01401J, Edge Article

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Simon Greiner, Benjamin Schwarz, Mark Ringenberg, Maximilian Dürr, Ivana Ivanovic-Burmazovic, Maximilian Fichtner, Montaha Anjass, Carsten Streb
The enhanced redox-activity of a molecular vanadium oxide cluster upon functionalization with redox-inert Ca²⁺ ions is reported together with initial insights into its performance as a lithium ion battery cathode.
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Chem. Sci., 2020, 11,4297-4304
DOI: 10.1039/D0SC00735H, Minireview

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Eike Brunner, Marcus Rauche
Metal–organic frameworks (MOFs) gain increasing interest due to their outstanding properties like extremely high porosity, structural variability, and various possibilities for functionalization.
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Chem. Sci., 2020, 11,4397-4402
DOI: 10.1039/D0SC00844C, Edge Article

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Wenjia Duan, Qi Yue, Ying Liu, Yunfei Zhang, Qinghua Guo, Cong Wang, Shujie Yin, Dandan Fan, Wenjing Xu, Jiexian Zhuang, Jiachao Gong, Xinwei Li, Ruimin Huang, Liang Chen, Silvio Aime, Zhongliang Wang, Jianfeng Feng, Ying Mao, Xiao-Yong Zhang, Cong Li
A novel pH ratiometrically responsive surface-enhanced resonance Raman scattering (SERRS) probe was developed for tumor acidic margin delineation and image-guided surgery.
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Chem. Sci., 2020, 11,4381-4390
DOI: 10.1039/D0SC01026J, Edge Article

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Dennis Jansen, Johannes Gramüller, Felix Niemeyer, Torsten Schaller, Matthias C. Letzel, Stefan Grimme, Hui Zhu, Ruth M. Gschwind, Jochen Niemeyer
Supramolecular acid–acid interactions lead to competing monomeric and dimeric pathways in phosphoric acid catalysis – so that stereoselectivities depend on catalyst concentration.
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Chem. Sci., 2020, 11,4439-4443
DOI: 10.1039/D0SC01289K, Edge Article

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Arunachalam Sagadevan, Anastasios Charitou, Fen Wang, Maria Ivanova, Martin Vuagnat, Michael F. Greaney
A ruthenium-catalyzed ortho C–H arylation process is described using visible light.
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Chem. Sci., 2020, 11,4410-4415
DOI: 10.1039/D0SC01009J, Edge Article

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Axel Loredo, Juan Tang, Lushun Wang, Kuan-Lin Wu, Zane Peng, Han Xiao
Tetrazine was demonstrated for the first time as a general phototrigger to design photoactivatable fluorophore probes.
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Chem. Sci., 2020, 11,4482-4487
DOI: 10.1039/C9SC05522C, Edge Article

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Xiaojin Wen, Xinyao Li, Xiao Luo, Weijin Wang, Song Song, Ning Jiao
A novel intramolecular cyclization of alkyl azides for the synthesis of cyclic imines and tertiary amines has been developed. The aliphatic C–H or C–C bond was selectively cleaved with the efficient formation of two C–N single bonds or a CN double bond.
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Chem. Sci., 2020, 11,4488-4498
DOI: 10.1039/D0SC00544D, Edge Article

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Carlo Pifferi, Ane Ruiz-de-Angulo, David Goyard, Claire Tiertant, Nagore Sacristán, Diego Barriales, Nathalie Berthet, Juan Anguita, Olivier Renaudet, Alberto Fernández-Tejada
A fully-synthetic anticancer vaccine candidate incorporating an hexadecavalent Tn antigen analogue display via oxime linkages induced tumor-specific IgG antibodies and cellular immune responses in mice coadministered with QS-21 as an adjuvant.
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Chem. Sci., 2020, 11,4416-4421
DOI: 10.1039/D0SC00379D, Edge Article

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Xin Chang, Christopher Batchelor-McAuley, Richard G. Compton
At the single platinum nanoparticle scale the hydrogen peroxide reduction reaction is a surface limited process.
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Chem. Sci., 2020, 11,4430-4438
DOI: 10.1039/D0SC01246G, Edge Article

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Matthew J. Cliffe, Evan N. Keyzer, Andrew D. Bond, Maxwell A. Astle, Clare P. Grey
We report the structures of six new divalent transition metal hexathiocyanatobismuthate Prussian Blue analogues frameworks, which contain complex ordered defect structures.
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Chem. Sci., 2020, 11,4374-4380
DOI: 10.1039/D0SC00206B, Edge Article

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Shiva Moaven, Brandon T. Watson, Shelby B. Thompson, Veronica J. Lyons, Daniel K. Unruh, Dominick J. Casadonte, Dimitri Pappas, Anthony F. Cozzolino
A new air and moisture stable antimony thiolate compound has been prepared that spontaneously forms stable hollow vesicles.
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Chem. Sci., 2020, 11,4391-4396
DOI: 10.1039/D0SC00876A, Edge Article

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Wesley J. Newsome, Arnab Chakraborty, Richard T. Ly, Gavin S. Pour, David C. Fairchild, Amanda J. Morris, Fernando J. Uribe-Romo
J-dimer emission is an emergent property that occurs when pairs of ground-state fluorophores associate within multivariate MOFs producing tunable red shifted emission.
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Chem. Sci., 2020, 11,4516-4524
DOI: 10.1039/D0SC01319F, Edge Article

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Chen Wang, Amit Fischer, Avner Ehrlich, Yaakov Nahmias, Itamar Willner
Biocatalytic control over the stiffness of pH-responsive hydrogels is applied to develop shape-memory, self-healing and controlled release matrices.
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Chem. Sci., 2020, 11,4499-4507
DOI: 10.1039/D0SC00135J, Edge Article

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Jian Cheng, Bin Zheng, Sheng Cheng, Guoying Zhang, Jinming Hu
Metal-free carbon monoxide-releasing polymers (CORPs) are synthesized via a direct polymerization approach, exhibiting not only improved stability but also accelerated wound healing performance as compared to CORM-3.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00594K, Minireview

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Juhwan Noh, Geun Ho Gu, Sungwon Kim, Yousung Jung
The grand challenge of materials science, discovery of novel materials with target properties, can be greatly accelerated by machine-learned inverse design strategies.
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Chem. Sci., 2020, 11,4531-4531
DOI: 10.1039/D0SC90075C, Correction

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Angelo Frei, Johannes Zuegg, Alysha G. Elliott, Murray Baker, Stefan Braese, Christopher Brown, Feng Chen, Christopher G. Dowson, Gilles Dujardin, Nicole Jung, A. Paden King, Ahmed M. Mansour, Massimiliano Massi, John Moat, Heba A. Mohamed, Anna K. Renfrew, Peter J. Rutledge, Peter J. Sadler, Matthew H. Todd, Charlotte E. Willans, Justin J. Wilson, Matthew A. Cooper, Mark A. T. Blaskovich
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Chem. Sci., 2020, 11,4475-4481
DOI: 10.1039/D0SC01194K, Edge Article

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Luke Lewis-Borrell, Mahima Sneha, Aditi Bhattacherjee, Ian P. Clark, Andrew J. Orr-Ewing
Short-lived intermediates are tracked in real-time by transient absorption spectroscopy during a multi-step photoredox catalysed polymerization reaction.
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Chem. Sci., 2020, 11,4360-4373
DOI: 10.1039/C9SC06272F, Edge Article

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Kristjan Kunnus, Lin Li, Charles J. Titus, Sang Jun Lee, Marco E. Reinhard, Sergey Koroidov, Kasper S. Kjær, Kiryong Hong, Kathryn Ledbetter, William B. Doriese, Galen C. O'Neil, Daniel S. Swetz, Joel N. Ullom, Dale Li, Kent Irwin, Dennis Nordlund, Amy A. Cordones, Kelly J. Gaffney
Photoinduced intramolecular electron transfer in Fe tetracyano-polypyridyl complexes was investigated with static and time-resolved UV-visible absorption and resonant inelastic X-ray scattering which revealed a competition of two relaxation pathways.
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Chem. Sci., 2020, 11,4508-4515
DOI: 10.1039/D0SC00853B, Edge Article

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Silvia Voci, Romain Duwald, Stéphane Grass, David J. Hayne, Laurent Bouffier, Paul S. Francis, Jérôme Lacour, Neso Sojic
Controlling electrochemiluminescence (ECL) color(s) is crucial for many applications ranging from multiplexed bioassays to ECL microscopy.
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Chem. Sci., 2020, 11,4525-4530
DOI: 10.1039/D0SC01359E, Edge Article

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Brooke A. Versaw, Molly E. McFadden, Corey C. Husic, Maxwell J. Robb
Structure–activity relationships for strategic substitution of the naphthopyran mechanophore scaffold enable polymeric materials with tunable mechanochromic behavior.
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Chem. Sci., 2020, 11,4422-4429
DOI: 10.1039/D0SC01589J, Edge Article

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Dongdong Xu, Seraphine V. Wegner
Multifunctional streptavidin-biotin conjugates with defined stoichiometry and number of open binding pockets provide molecularly precise alternatives to the statistical mixture of products that typically forms.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01482F, Perspective

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Mingwang Yang, Jiangli Fan, Jianjun Du, Xiaojun Peng
This perspective article aims to introduce the design principles and recognition strategies of small-molecule fluorescent probes which are applied for the detection of gas signaling molecules including NO, CO and H₂S in biological systems.
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Chem. Sci., 2020, 11,4444-4449
DOI: 10.1039/D0SC00944J, Edge Article

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Lu Zhang, Rongxiu Zhu, Aili Feng, Changyin Zhao, Lei Chen, Guidong Feng, Lei Liu
A one-pot deracemization of β,γ-alkynyl α-amino esters consisting of an aerobic oxidation and chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation has been described.
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Chem. Sci., 2020, 11,4456-4466
DOI: 10.1039/D0SC01288B, Edge Article

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Mark D. Driver, Mark J. Williamson, Joanne L. Cook, Christopher A. Hunter
Functional group interaction profiles are a quantitative tool for predicting the effect of solvent on the free energy changes associated with non-covalent interactions.
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Chem. Sci., 2020, 11,4467-4474
DOI: 10.1039/D0SC01613F, Edge Article

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Thao T. Le, Andreas Bruckbauer, Bogachan Tahirbegi, Alastair J. Magness, Liming Ying, Andrew D. Ellington, Anthony E. G. Cass
An RNA G-quadruplex aptamer, specific for the human retinoblastoma protein (RB) and highly stable inside cells, is selected and its application to live cell probing of the protein illustrated.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01141J, Edge Article

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Tyler J. Fulton, Anthony Y. Chen, Michael D. Bartberger, Brian M. Stoltz
A catalytic enantioselective approach to the Myrioneuron alkaloids (−)-myrifabral A and (−)-myrifabral B is described.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00002G, Edge Article

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Chenting Yan, Masato Takeshita, Jun-ya Nakatsuji, Akihiro Kurosaki, Kaoko Sato, Rong Shang, Masaaki Nakamoto, Yohsuke Yamamoto, Yohei Adachi, Ko Furukawa, Ryohei Kishi, Masayoshi Nakano
Structural characterization of hypervalent electron-rich pentacoordinate nitrogen species has long been a synthetic challenge. Here we report the first nitrogen cationic radical (11-N-5) species featuring a weak hypervalent 3c-5e interaction.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01133A, Edge Article

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Juan Du, Shaopeng Li, Shulin Liu, Yu Xin, Bingfeng Chen, Huizhen Liu, Buxing Han
The relay catalytic platform is very efficient and selective for CO₂ electroreduction to ethanol.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00049C, Edge Article

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Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I. Cooper, Berend Smit
We introduce a representation for the geometric features of the pores of porous molecular crystals. This representation provides a good basis for supervised (predict adsorption properties) and unsupervised (polymorph classification) tasks.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01746A, Edge Article

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Yao Chang, Jiayue Yang, Zhichao Chen, Zhiguo Zhang, Yong Yu, Qingming Li, Zhigang He, Weiqing Zhang, Guorong Wu, Rebecca A. Ingle, Matthew Bain, Michael N. R. Ashfold, Kaijun Yuan, Xueming Yang, Christopher S. Hansen
The vacuum ultraviolet photodissociation dynamics of ethane provide clues for modelling the atmospheric chemistry of the gas giants.
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC00266F, Edge Article

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Yunyi Wang, Jihyun Kim, Christian Hilty
Elucidation of small molecule-protein interactions provides essential information for understanding biological processes such as cellular signaling, as well as for rational drug development. Here, multi-dimensional NMR with sensitivity enhancement by...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01544J, Perspective

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Rebecca A. Olson, Angie B. Korpusik, Brent S. Sumerlin
Light-driven synthetic techniques have revolutionized polymer–biomacromolecule conjugation. This Perspective discusses the benefits of photochemistry for polymer–protein ligation and considerations when designing a new light-driven conjugation approach.
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC02020F, Edge Article

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Derek A. Pratt, Mark A R Raycroft, Jean-Philippe R Chauvin, Matthew Galliher, Kevin Romero, Corey Stephenson
Hydrogen atom transfer (HAT) is the mechanism by which the vast majority of radical-trapping antioxidants (RTAs), such as hindered phenols, inhibit autoxidation. As such, at least one weak O–H bond...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC90081H, Correction

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Leslie A. Nickerson, Benjamin D. Bergstrom, Mingchun Gao, Yuan-Shin Shiue, Croix J. Laconsay, Matthew R. Culberson, Walker A. Knauss, James C. Fettinger, Dean J. Tantillo, Jared T. Shaw
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01025A, Edge Article

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Vera A. Vil', Yana Barsegyan, Leah Kuhn, Maria V. Ekimova, Egor A. Semenov, Alexander Korlyukov, Alexander Olegovich Terent'ev, Igor Alabugin
How far can we push the limits in removing stereoelectronic protection from an unstable intermediate? We address this question by exploring the interplay between the primary and secondary stereoelectronic effects...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01763A, Edge Article

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Muhammad Salman, Yaoyao Xu, Shahid Khan, Junjie Zhang, Ajmal Khan
The first molybdenum-catalyzed allylic sulfonylation of tertiary allylic electrophile is described. The method utilizes a readily accesable catalyst (Mo(CO)₆/2,2'-bipyridine, both are commercially available) and represent the first example of the...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01290D, Edge Article

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Leland Bruce Gee, Vladimir Pelmenschikov, Hongxin Wang, Nakul Mishra, Yu-Chiao Liu, Yoshitaka Yoda, Kenji TAMASAKU, Ming-Hsi Chiang, Stephen P Cramer
A diiron complex containing a bridging hydride and a protonated terminal thiolate of the form [(μ,κ2-bdtH)(μ-PPh2)(μ-H)Fe2(CO)5]+ has been investigated through 57Fe nuclear resonance vibrational spectroscopy (NRVS) and interpreted using density...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00021C, Edge Article

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Koichiro Masuda, Shū Kobayashi
A direct and quantitative method for monitoring heterogeneous organic reactions has been developed by using direct analysis in real time mass spectrometry (DART-MS) with an isotope-labeled reaction product as an internal standard.
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