Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01817A, Edge Article

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Wei-Jia Zeng, Kun Wang, Wenbin Liang, Yaqin Chai, Ruo Yuan, Ying Zhuo
Herein, the electrochemiluminescence (ECL) microreactors with enhanced intensity and extreme stability were firstly established by the assembly of tris(2,2’-bipyridyl) ruthenium (II) (Ru(bpy)₃²⁺) onto the covalent organic frameworks (COFs) where a...
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01572E, Edge Article

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Sandip Das, Kulbir, Somnath Ghosh, Subash Chandra Sahoo, Pankaj Kumar
Base-induced hydrogen (H₂) gas evolution in the nitric oxide monoxygenation reaction.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01890B, Edge Article

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Santosh K. Pagire, Naoya Kumagai, Masakatsu Shibasaki
An efficient cooperative chiral Lewis acid and photoredox catalytic system towards the highly enantioselective radical conjugate addition of α-amino radicals to α,β-unsaturated amides is developed with the implementation of unique auxiliaries.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC00605J, Edge Article

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Katie M. Herbert, Patrick T. Getty, Neil D. Dolinski, Jerald E. Hertzog, Derek de Jong, James H. Lettow, Joy Romulus, Jonathan W. Onorato, Elizabeth M. Foster, Stuart J. Rowan
Dynamic covalent networks comprised of tunable thia-Michael bonds result in phase separated networks with tailorable mechanical and adaptive properties.
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Chem. Sci., 2020, Advance Article
DOI: 10.1039/D0SC01496F, Edge Article

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Chenxing Guo, Hu Wang, Vincent M. Lynch, Xiaofan Ji, Zachariah A. Page, Jonathan L. Sessler
The molecular recognition of pyrazine N,N'-dioxide by aryl extended 'two-walled' calix[4]pyrrole-based receptors is seen to stabilise two different binding modes in the solid state.
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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, Advance Article
DOI: 10.1039/D0SC00463D, Edge Article

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Georgina L. Gregory, Gregory S. Sulley, Leticia Peña Carrodeguas, Thomas T. D. Chen, Alba Santmarti, Nicholas J. Terrill, Koon-Yang Lee, Charlotte K. Williams
A new series of block polyester thermoplastic elastomers are prepared by a one-pot procedure; they show properties competitive or better than conventional materials and can be fully degraded after use.
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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/D0SC01833C, Edge Article

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Meaghan Deegan, Tonia Ahmed, Glenn Yap, Eric D Bloch
We describe the synthesis of Fe(II)-based octahedral coordination cages supported by calixarene capping ligands. The most porous of these molecular cages has an argon accessible BET surface area of 898...
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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/D0SC01341B, Edge Article

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Xianhao Lv, Mizhen Sun, Lei Xu, Runzhe Wang, Huayi Zhou, Yuyu Pan, Shitong Zhang, Qikun Sun, Shanfeng Xue, Wenjun Yang
A new pure fluorescent blue HLCT-emitter was designed and synthesized. Highly efficient non-doped blue OLEDs with low efficiency roll-off were achieved.
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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, 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, 11,4332-4339
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, 11,4397-4402
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, 11,4410-4415
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, 11,4488-4498
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, 11,4374-4380
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, 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, 11,4360-4373
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, 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, 11,4456-4466
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, 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/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, 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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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/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, Accepted Manuscript
DOI: 10.1039/D0SC01796E, Edge Article

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David Zhi Hong Zee, T. David Harris
Catalytic heme active sites of enzymes are sequestered by the protein superstructure and are regulated by precisely defined outer coordination spheres. Here, we emulate both of these protective functions in...
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Chem. Sci., 2020, Accepted Manuscript
DOI: 10.1039/D0SC01694B, Edge Article

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diyuan Li, Tsz-Kan Ma, Reuben J Scott, Jonathan David Wilden
An electrochemical ‘redox-relay’ system has been developed which allows the generation of C-centered radicals. Intermolecular ‘tin-like’ radical reactions can subsequently be conducted under the most benign of conditions. The yields...
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