Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC00646G, Edge Article

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Shubham Deolka, Orestes Rivada, Sandra L. Aristizábal, Robert R. Fayzullin, Shrinwantu Pal, Kyoko Nozaki, Eugene Khaskin, Julia R Khusnutdinova
We report selective formation of heterobimetallic Pt^II/Cu^I complexes that demonstrate how facile bond activation processes can be achieved by altering reactivity of common organoplatinum compounds through their interaction with another...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00997K, Edge Article

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Jian Yang, Verònica Postils, Michael I. Lipschutz, Meg Fasulo, Christophe Raynaud, Eric Clot, Odile Eisenstein, T. Don Tilley
A cationic nickel complex of the bis(8-quinolyl)(3,5-di-tert-butylphenoxy)phosphine (NPN) ligand, [(NPN)NiCl]⁺, is a precursor to efficient catalysts for the hydrosilation of alkenes with hydrosilanes under mild conditions and low catalyst loadings.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01124J, Edge Article

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Idriss Curbet, Sophie Colombel-Rouen, Romane Manguin, Anthony Clermont, Alexandre Quelhas, Daniel S. Müller, Thierry Roisnel, Olivier Baslé, Yann Trolez, Marc Mauduit
The first synthesis of symmetrical and dissymmetrical conjugated triynes by self- and cross-metathesis was successfully achieved thanks to the use of hindered diynes.
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC02224A, Edge Article

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Erick M Carreira, Sarah S Eichenberger, Moritz Hönig, Matthieu JR Richter, Renana Gershoni-Poranne
A novel Lewis acid-catalyzed cycloisomerization of alkylidenecyclopropane acylsilanes is disclosed. The readily available starting materials participate in tandem Prins addition/ring expansion/1,2-silyl shift to grant access to bicyclo[4.2.0]octanes and bicyclo[3.2.0]heptanes, which...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01534B, Edge Article

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Hongmei Xu, Xiaodan Huang, Zhenzhen Zhang, xuemeng zhang, Qianhao Min, Jun-Jie Zhu
Quantitatively delineating the activation network of multiple proteases that participate in cellular processes is highly essential to understanding physiological and pathological states of cells. In this study, protease-responsive mass barcoded...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01445A, Edge Article

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Lei Zhang, Xile Hu
A direct arylation of benzylic C–H bonds is achieved by integrating Ni-catalyzed benzyl–aryl coupling into convergent paired electrolysis.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01679A, Edge Article

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Digambar B. Shinde, Li Cao, A. D. Dinga Wonanke, Xiang Li, Sushil Kumar, Xiaowei Liu, Mohamed N. Hedhili, Abdul-Hamid Emwas, Matthew Addicoat, Kuo-Wei Huang, Zhiping Lai
Pore surface engineering of ultrathin COF membranes by introducing different lengths of alkyl chains into the skeleton, which allows us to precisely control the pore size of COF membranes for OSN applications and molecular sieving.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC02253E, Edge Article

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Juan Mangas-Sanchez, Mahima Sharma, Sebastian C. Cosgrove, Jeremy I. Ramsden, James R. Marshall, Thomas W. Thorpe, Ryan B. Palmer, Gideon Grogan, Nicholas J. Turner
Fungal reductive aminases as effective biocatalysts for the preparation of chiral primary amines.
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01515F, Edge Article

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Yu-Feng Liang, Long Yang, Becky Bongsuiru Jei, Rositha Kuniyil, Lutz Ackermann
Palladium-catalyzed regioselective di- or mono-arylation of o-carboranes was achieved by weakly coordinating amides at room temperature. Thereby, a series of B(3,4)-diarylated and B(3)-monoarylated o-carboranes anchored with valuable functional groups were...
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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, 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, 11,4322-4331
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, 11,4332-4339
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, 11,4340-4350
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, 11,4450-4455
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, 11,4439-4443
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, 11,4482-4487
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, 11,4374-4380
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, 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, 11,4475-4481
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, 11,4508-4515
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, 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, 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, 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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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01471K, Edge Article

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Huan Li, Lei Guo, Xiaoliang Feng, Liping Huo, Shengqing Zhu, Lingling Chu
A selective, sequential C–O decarboxylative vinylation/C–H arylation of cyclic alcohol derivatives enabled by visible-light photoredox/nickel dual catalysis has been described.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01213K, Edge Article

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Ruoyao Zhang, Guangle Niu, Qing Lu, Xiaolin Huang, Joe H. C. Chau, Ryan T. K. Kwok, Xiaoqiang Yu, Min-Hui Li, Jacky W. Y. Lam, Ben Zhong Tang
We present a series of AIEgens for cancer cell discrimination and dynamic viability monitoring.
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC00863J, Edge Article

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Fujian Huang, Ruilin Duan, Zhixin Zhou, Margarita Vázquez-González, fan xia, Itamar Willner
The spatiotemporal stimulation of liposome-liposome or liposome-membrane fusion processes attracts growing interest as a means to mimic cell-cell interactions in nature and for using these processes for biomedical applications. We...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01625J, Edge Article

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Sk Amanullah, Abhishek Dey
Ferrous nitrosyl {FeNO}⁷ species are intermediates common to the catalytic cycles of Cd₁NiR and CcNiR, two heme-based nitrite reductases (NiR), and its reactivity vary dramatically in these enzymes. The former...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01559H, Edge Article

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Victoria V. L. Heywood, T. P. J. Alford, Julius J.J. Roeleveld, Siebe S. J. Lekanne-Deprez, Abraham A. Verhoofstad, Jarl Ivar van der Vlugt, Melanie Schnell, Sérgio R Domingos, Anthony P. Davis, Tiddo Jonathan Mooibroek
We report the direct observation of tetrel bonding interactions between sp³-carbons of the supramolecular synthon 3,3-dimethyl-tetracyanocyclopropane (1) and tetrahydrofuran in the gas and crystalline phase. The intermolecular contact is established...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01591A, Perspective

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Zhiyun Zhang, Guangchen Sun, Wei Chen, Jianhua Su, He Tian
Organic chromophores with large Stokes shifts and dual emissions are fascinating because of their fundamental and application interests. Vibration-induced emission (VIE) refers to a tunable multiple fluorescence exhibited by saddle-shaped...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00968G, Edge Article

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Nnamdi Akporji, Ruchita R. Thakore, Margery Cortes-Clerget, Joel Andersen, Evan Landstrom, Donald H. Aue, Fabrice Gallou, Bruce H. Lipshutz
A new, biaryl phosphine-containing ligand, N₂Phos, forms a 1 : 1 complex with Pd resulting in an active catalyst at the ppm level for Suzuki–Miyaura couplings in water, enabled by an aqueous micellar medium. Notably, aryl chlorides are shown to be amenable substrates.
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