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Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Hong-Jie Miao, Le-Le Wang, Hua-Bin Han, Yong-De Zhao, Qi-Lin Wang, Zhan-Wei Bu
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Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Sam Ka-Ming Leung, Alan Kwun-Wa Chan, Sammual Yu-Lut Leung, Ming-Yi Leung, Vivian Wing-Wah Yam
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Diminished viability of human ovarian cancer cells by antigen-specific delivery of carbon monoxide with a family of photoactivatable antibody-photoCORM conjugates† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Brian Kawahara, Lucy Gao, Whitaker Cohn, Julian P. Whitelegge, Suvajit Sen, Carla Janzen, Pradip K. Mascharak
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Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Kai-Qing Liu, Jun-Jie Wang, Xing-Xing Yan, Chuang Niu, Guan-Wu Wang
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Exploiting the versatile alkyne-based chemistry for expanding the applications of a stable triphenylmethyl organic radical on surfaces† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 J. Alejandro de Sousa, Francesc Bejarano, Diego Gutiérrez, Yann R. Leroux, Ewa Malgorzata Nowik-Boltyk, Tobias Junghoefer, Erika Giangrisostomi, Ruslan Ovsyannikov, Maria Benedetta Casu, Jaume Veciana, Marta Mas-Torrent, Bruno Fabre, Concepció Rovira, Núria Crivillers
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Programmable dynamic covalent nanoparticle building blocks with complementary reactivity† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Nicolas Marro, Flavio della Sala, Euan R. Kay
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Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Alexander S. Romanov, Saul T. E. Jones, Qinying Gu, Patrick J. Conaghan, Bluebell H. Drummond, Jiale Feng, Florian Chotard, Leonardo Buizza, Morgan Foley, Mikko Linnolahti, Dan Credgington, Manfred Bochmann
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Unique aqueous self-assembly behavior of a thermoresponsive diblock copolymer† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Sarah J. Byard, Cate T. O'Brien, Matthew J. Derry, Mark Williams, Oleksandr O. Mykhaylyk, Adam Blanazs, Steven P. Armes
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Uncommon structural and bonding properties in Ag16B4O10† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Anton Kovalevskiy, Congling Yin, Jürgen Nuss, Ulrich Wedig, Martin Jansen
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Seed-Mediated Evolution of Hierarchical Metal−Organic Framework Quaternary Superstructures Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Liang Feng, Kunyu Wang, Tian-Hao Yan, Hong-Cai Zhou
The idea of hierarchy, widely observed in natural and artificial worlds, has been extensively explored in chemistry and materials science. Similar to proteins which contain primary, secondary, tertiary and quaternary structures, the varying levels of hierarchy in metal-organic framework (MOF) superstructures can also be achieved. In this work, we initiate a systematic study on the morphological evolution
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Silica-supported, narrowly distributed, subnanometric Pt–Zn particles from single sites with high propane dehydrogenation performance† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Lukas Rochlitz, Keith Searles, Jan Alfke, Dmitry Zemlyanov, Olga V. Safonova, Christophe Copéret
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Pot and time economies in the total synthesis of Corey lactone† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Nariyoshi Umekubo, Yurina Suga, Yujiro Hayashi
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Phase segregated Cu2−xSe/Ni3Se4 bimetallic selenide nanocrystals formed through the cation exchange reaction for active water oxidation precatalysts† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Sungwon Kim, Hiroki Mizuno, Masaki Saruyama, Masanori Sakamoto, Mitsutaka Haruta, Hiroki Kurata, Taro Yamada, Kazunari Domen, Toshiharu Teranishi
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Borane-induced ring closure reaction of oligomethylene-linked bis-allenes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Xin Tao, Karel Škoch, Constantin G. Daniliuc, Gerald Kehr, Gerhard Erker
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The role of lattice vibration in the terahertz region for proton conduction in 2D metal–organic frameworks† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Tomoya Itakura, Hiroshi Matsui, Tomofumi Tada, Susumu Kitagawa, Aude Demessence, Satoshi Horike
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Independent Control over Size, Valence, and Elemental Composition in the Synthesis of DNA-Nanoparticle Conjugates Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Yugang Bai, Hang Xing, Yunhao Bai, Li Huey Tan, Kevin Hwang, Ji Li, Yi Lu, Steven C. Zimmerman
DNA-Nanoparticle conjugates have found widespread use in sensing, imaging, and as components of devices. However, their synthesis remains relatively complicated and empirically based, often requiring specialized protocols for conjugates of different size, valence, and elemental composition. Here we report a novel, bottom-up approach for the synthesis of nanoparticle-DNA conjugates, based on ring-opening
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Surface chemistry dictates stability and oxidation state of supported single metal catalyst atoms Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Konstantinos Alexopoulos, Dion Vlachos
Single atom catalysts receive considerable attention due to reducing noble metal utilization and potentially eliminating certain side reactions. Yet, the rational design of highly reactive and stable single atom catalysts is hampered by the current lack of fundamental insights at the single atom limit. Here, density functional theory calculations are performed for a prototype reaction, namely CO oxidation
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Automated linkage of proteins and payloads producing monodisperse conjugates† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Igor Dovgan, Alexandre Hentz, Oleksandr Koniev, Anthony Ehkirch, Steve Hessmann, Sylvain Ursuegui, Sébastien Delacroix, Margaux Riomet, Frédéric Taran, Sarah Cianférani, Sergii Kolodych, Alain Wagner
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Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Ivana Brekalo, Wenbing Yuan, Cristina Mottillo, Yuneng Lu, Yuancheng Zhang, Jose Casaban, Kevin Travis Holman, Stuart James, Frédéric Duarte, Andrew Williams, Kenneth D M Harris, Tomislav Friščić
We demonstrate a simple method for real-time monitoring of mechanochemical synthesis of metal-organic frameworks, by measuring changes in pressure of gas produced in the reaction. Using this manometric method to monitor the mechanosynthesis of the zeolitic imidazolate framework ZIF-8 from basic zinc carbonate reveals an intriguing feedback mechanism in which the initially formed ZIF-8 reacts with the
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Rotaxane Pt(II)-Complexes: Mechanical Bonding for Chemically Robust Luminophores and Stimuli Responsive Behaviour Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Zhi-Hui Zhang, Graham J. Tizzard, Gareth Williams, Stephen Goldup
We report an approach to rotaxanes in which the metal ion of a cyclometallated PtII luminophore is embedded in the space created by the mechanical bond. Our results show that the interlocked ligand environment stabilises a normally labile PtII-triazole bond against displacement by competing ligands and that the crowded environment of the mechanical bond retards oxidation of the PtII centre, without
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2-Amino-3′-dialkylaminobiphenyl-based fluorescent intracellular probes for nitric oxide surrogate N2O3† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 P. Rogelio Escamilla, Yanming Shen, Quanjuan Zhang, Derek S. Hernandez, Cecil J. Howard, Xuhong Qian, Daria Y. Filonov, Alexander V. Kinev, Jason B. Shear, Eric V. Anslyn, Youjun Yang
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Localized molecular automaton for in situ visualization of protein with specific chemical modifications Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Lu Liu, Siqiao Li, Anwen Mao, Guyu Wang, Yiran Liu, Huangxian Ju, Lin Ding
Given the powerful regulation roles of chemical modification networks on protein structures and functions, it is of vital importance to acquire the spatiotemporal chemical modification pattern information in a protein-specific fashion, which is by far a highly challenging task. Herein, we design a localized DNA automaton, equipped with an anticoding-coding sequential propagation algorithm, for in situ
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Readily Accessible sp3-Rich Cyclic Hydrazine Frameworks Exploiting Nitrogen Fluxionality Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Conor Dean, Sundaram Rajkumar, Stefan Roesner, Nessa Carson, Guy James Clarkson, Martin Wills, Matthew L Jones, Mike Shipman
Increased molecular complexity correlates with improved chances of success in the drug development process. Here, a strategy for the creation of sp3-rich, non-planar heterocyclic scaffolds suitable for drug discovery is described that obviates the need to generate multiple stereogenic centers with independent control. Asymmetric transfer hydrogenation using a tethered Ru-catalyst is used to efficiently
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Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Feng Su, Shuqi Chen, Xiaogang Mo, Kongchuan Wu, Jiajun Wu, Weidong Lin, Zhiwei Lin, Jianbin Lin, Hui-Jun Zhang, Ting-Bin Wen
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Al(ORF)3 (RF = C(CF3)3) activated silica: a well-defined weakly coordinating surface anion† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Damien B. Culver, Amrit Venkatesh, Winn Huynh, Aaron J. Rossini, Matthew P. Conley
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Serine is the molecular source of the NH(CH2)2 bridgehead moiety of the in vitro assembled [FeFe] hydrogenase H-cluster† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Guodong Rao, Lizhi Tao, R. David Britt
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ATP-fuelled self-assembly to regulate chemical reactivity in the time domain† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Maria A. Cardona, Leonard J. Prins
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Proton-conduction photomodulation in spiropyran-functionalized MOFs with large on–off ratio† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Anemar Bruno Kanj, Abhinav Chandresh, Aaron Gerwien, Sylvain Grosjean, Stefan Bräse, Yuemin Wang, Henry Dube, Lars Heinke
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A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Wai Chung Fu, Fuk Yee Kwong
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Directional molecular sliding movement in peptide hydrogels accelerates cell proliferation† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Shuxin Song, Jingyu Wang, Zhifei Cheng, Zhimou Yang, Linqi Shi, Zhilin Yu
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Toward a quantitative theoretical method for infrared and Raman spectroscopic studies on single-crystal electrode/liquid interfaces† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Yuan Fang, Jin-Chao Dong, Song-Yuan Ding, Jun Cheng, Juan Miguel Feliu, Jian-Feng Li, Zhong-Qun Tian
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Two-component assembly of recognition-encoded oligomers that form stable H-bonded duplexes†‡ Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Luca Gabrielli, Diego Núñez-Villanueva, Christopher A. Hunter
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Manipulating molecules with strong coupling: harvesting triplet excitons in organic exciton microcavities†‡ Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Daniel Polak, Rahul Jayaprakash, Thomas P. Lyons, Luis Á. Martínez-Martínez, Anastasia Leventis, Kealan J. Fallon, Harriet Coulthard, David G. Bossanyi, Kyriacos Georgiou, Anthony J. Petty, II, John Anthony, Hugo Bronstein, Joel Yuen-Zhou, Alexander I. Tartakovskii, Jenny Clark, Andrew J. Musser
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Construction of a self-directed replication system for label-free and real-time sensing of repair glycosylases with zero background† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Li-juan Wang, Ying-ying Lu, Chun-yang Zhang
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A facile way to obtain near-infrared room-temperature phosphorescent soft materials based on Bodipy dyes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Ting Zhang, Xiang Ma, He Tian
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Reduction of a dihydroboryl cation to a boryl anion and its air-stable, neutral hydroboryl radical through hydrogen shuttling† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Stephan Hagspiel, Merle Arrowsmith, Felipe Fantuzzi, Alexander Hermann, Valerie Paprocki, Regina Drescher, Ivo Krummenacher, Holger Braunschweig
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Combining hydrophilic and hydrophobic environment sensitive dyes to detect a wide range of cellular polarity† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Sang Jun Park, Vinayak Juvekar, Jae Hyung Jo, Hwan Myung Kim
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Acoustic cavitation generates molecular mercury(ii) hydroxide, Hg(OH)2, from biphasic water/mercury mixtures† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Minjun Yang, Bertold Rasche, Richard G. Compton
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A stable covalent organic framework for photocatalytic carbon dioxide reduction† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Zhiwei Fu, Xiaoyan Wang, Adrian M. Gardner, Xue Wang, Samantha Y. Chong, Gaia Neri, Alexander J. Cowan, Lunjie Liu, Xiaobo Li, Anastasia Vogel, Rob Clowes, Matthew Bilton, Linjiang Chen, Reiner Sebastian Sprick, Andrew I. Cooper
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Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C–C stereogenic axes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Xiaoze Bao, Jean Rodriguez, Damien Bonne
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Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push–pull organic systems† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Kais Dhbaibi, Ludovic Favereau, Monika Srebro-Hooper, Cassandre Quinton, Nicolas Vanthuyne, Lorenzo Arrico, Thierry Roisnel, Bassem Jamoussi, Cyril Poriel, Clément Cabanetos, Jochen Autschbach, Jeanne Crassous
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IMPRESSION – prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Will Gerrard, Lars A. Bratholm, Martin J. Packer, Adrian J. Mulholland, David R. Glowacki, Craig P. Butts
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In situ transfer of CH3NH3PbI3 single crystals in mesoporous scaffolds for efficient perovskite solar cells† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Yanjun Guan, Mi Xu, Wenhao Zhang, Da Li, Xiaomeng Hou, Li Hong, Qifei Wang, Zhihui Zhang, Anyi Mei, Min Chen, Yuanyuan Zhou, Nitin P. Padture, Yue Hu, Yaoguang Rong, Hongwei Han
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Chelation with a twist: a bifunctional chelator to enable room temperature radiolabeling and targeted PET imaging with scandium-44† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Brett A. Vaughn, Shin Hye Ahn, Eduardo Aluicio-Sarduy, Justin Devaraj, Aeli P. Olson, Jonathan Engle, Eszter Boros
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Optical control of the nuclear bile acid receptor FXR with a photohormone† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Johannes Morstein, Julie B. Trads, Konstantin Hinnah, Sabine Willems, David M. Barber, Michael Trauner, Daniel Merk, Dirk Trauner
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Constrained Bayesian optimization for automatic chemical design using variational autoencoders† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Ryan-Rhys Griffiths, José Miguel Hernández-Lobato
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Unravelling the mechanism of cobalt-catalysed remote C–H nitration of 8-aminoquinolinamides and expansion of substrate scope towards 1-naphthylpicolinamide† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Melody Chu, Oriol Planas, Anna Company, Xavi Ribas, Alex Hamilton, Christopher J. Whiteoak
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Biosynthesis of plant tetrahydroisoquinoline alkaloids through an imine reductase route† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Lu Yang, Jinmei Zhu, Chenghai Sun, Zixin Deng, Xudong Qu
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Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Alex G. Greenaway, Adrian Marberger, Adam Thetford, Inés Lezcano-González, Miren Agote-Arán, Maarten Nachtegaal, Davide Ferri, Oliver Kröcher, C. Richard A. Catlow, Andrew M. Beale
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From wavelike to sub-diffusive motion: exciton dynamics and interaction in squaraine copolymers of varying length† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Pavel Malý, Julian Lüttig, Arthur Turkin, Jakub Dostál, Christoph Lambert, Tobias Brixner
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Separation of halogenated benzenes enabled by investigation of halogen–π interactions with carbon materials† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Eisuke Kanao, Takuya Morinaga, Takuya Kubo, Toyohiro Naito, Takatoshi Matsumoto, Tomoharu Sano, Hideshi Maki, Mingdi Yan, Koji Otsuka
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Ptychographic X-ray tomography reveals additive zoning in nanocomposite single crystals† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Johannes Ihli, Mark A. Levenstein, Yi-Yeoun Kim, Klaus Wakonig, Yin Ning, Aikaterini Tatani, Alexander N. Kulak, David C. Green, Mirko Holler, Steven P. Armes, Fiona C. Meldrum
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Serum Raman spectroscopy as a diagnostic tool in patients with Huntington's disease† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Anna Huefner, Wei-Li Kuan, Sarah L. Mason, Sumeet Mahajan, Roger A. Barker
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Zn-mediated decarboxylative carbagermatranation of aliphatic N-hydroxyphthalimide esters: evidence for an alkylzinc intermediate† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Wei-Tao Jiang, Shuo Yang, Meng-Yu Xu, Xiu-Ying Xie, Bin Xiao
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Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C–H insertion of donor/donor carbenes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 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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Rh(ii)-catalyzed branch-selective C–H alkylation of aryl sulfonamides with vinylsilanes† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Supriya Rej, Naoto Chatani
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An aggregation-induced emission dye-powered afterglow luminogen for tumor imaging† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Yan Xu, Weitao Yang, Defan Yao, Kexin Bian, Weiwei Zeng, Kai Liu, Dengbin Wang, Bingbo Zhang
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Significantly improved electrocatalytic oxygen reduction by an asymmetrical Pacman dinuclear cobalt(ii) porphyrin–porphyrin dyad† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Yanju Liu, Guojun Zhou, Zongyao Zhang, Haitao Lei, Zhen Yao, Jianfeng Li, Jun Lin, Rui Cao
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Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region† Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Romain Duwald, Johann Bosson, Simon Pascal, Stéphane Grass, Francesco Zinna, Céline Besnard, Lorenzo Di Bari, Denis Jacquemin, Jérôme Lacour
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Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes. Synthesis, characterization, and catalytic activity Chem. Sci. (IF 9.969) Pub Date : 2023-02-15 Haixu Wang, Qingyun Wan, Kam-Hung Low, Congying Zhou, Jie-Sheng Huang, Jun-Long Zhang, Chi-Ming Che
Alkyl-substituted carbene (CHR or CR2, R = alkyl) complexes have been extensively studied for alkylcarbene (CHR) ligands coordinated with high-valent early transition metal ions (a.k.a. Schrock carbenes or alkylidenes), yet dialkylcarbene (CR2) complexes remain less developed with bis(dialkylcarbene) species being little (if any) explored. Herein, several group 8 metal porphyrin dialkylcarbene complexes