Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04174G, Edge Article

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Run-Zhou Liu, Zhihan Zhang, Min Li, Lihan Zhang
A metabologenomics workflow using mass defect filtering (MDF) and bioinformatics-based structural prediction was established for rapid screening of modular polyketide natural products, and led to the identification of 22 polyketides.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04854G, Edge Article

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Seonghwan Seo, Woo Youn Kim
PharmacoNet is developed for virtual screening, including deep learning-guided protein-based pharmacophore modeling, a parameterized analytical scoring function, and coarse-grained pose alignment. It is extremely fast yet reasonably accurate.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06660J, Edge Article

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Jasper Schuurmans, Tom Masson, Stefan Zondag, Simone Pilon, Nicola Bragato, Miguel Claros, Tim den Hartog, Fransesc Sastre Calabuig, Jonathan van den Ham, Pascal Buskens, Giulia Fiorani, Timothy Noel
Continuous-flow methodologies offer promising avenues for sustainable processing due to their precise process control, scalability, and efficient heat and mass transfer. The small dimensions of continuous-flow reactors render them highly...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04833D, Edge Article

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Xinchen Dai, Cesare Berton, Dong Jun Kim, Cristian Pezzato
Light-switchable buffer solutions based on merocyanine photoacids can be used as efficient photoenergy harvesting systems. Varying the solvation environment of merocyanine photoacids in water-methanol mixtures allows one to carefully tune...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06334A, Edge Article

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Xue-Chun Yang, Feng Wu, Wen-Biao Wu, Xu Zhang, Jian-Jun Feng
We present the first enantioselective dearomative (3+3) cycloadditions of bicyclobutanes (BCBs) utilizing a chiral Lewis acid catalyst and bidentate chelating BCB substrates.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06324D, Edge Article

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Lotte L. Metz, Rens Ham, Eduard Bobylev, Kelly J. H. Brouwer, Alfons van Blaaderen, Rim van de Poll, Victor Drozhzhin, Emiel J. M. Hensen, Joost N. H. Reek
Controlled preparation of ultrafine metal nanoclusters (<2 nm) is challenging, yet important as the properties of these clusters are inherently linked to their size and local microenvironment. In the present...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04026K, Edge Article

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Jacob A. Iannuzzelli, Rachel Bonn, Andrew S. Hong, Abhijith Saseendran Anitha, Jermaine L. Jenkins, Joseph E. Wedekind, Rudi Fasan
Cyclopeptide agents targeted against the −1 programmed ribosomal frameshifting stimulatory sequence RNA pseudoknot of SARS-CoV-2 were discovered by screening a multiplexed phage display library of genetically encoded peptide macrocycles.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05014B, Edge Article

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Meng Yuan, Nannan Xia, Ziheng Huang, Chaofeng Huang, Xun Hu, Fei He
Modulating the coordination configuration of metal Cu center through steering the N/S coordination number around Cu center boosted the catalytic activity of catechol oxidase-mimicking nanozyme.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05935B, Edge Article

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Yanbin Xu, Huangsheng Yang, Anlian Huang, Linjing Tong, Wei Huang, Guosheng Chen, Wei Yi, Siming Huang, Gangfeng Ouyang
A biocompatible polymer deposition-mediated surface-charge reformation strategy is reported that enables the in-place MOF biomineralization onto different enzyme templates.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05493H, Edge Article

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Xin Li, Zhanfang Liu, Linsen Yang, Shengyang Zhou, Yongchao Qian, Yuge Wu, Zidi Yan, Zhehua Zhang, Tingyang Li, Qingchen Wang, Congcong Zhu, Xiang-Yu Kong, Liping Wen
Inspired by sniffer dog olfactory sensory neurons, an ultrasensitive TNP detection sensor was developed by in situ growing UiO-66-NH₂ layers on AAO. It exhibits a limit of detection with 6.5 × 10⁻¹⁶ g mL⁻¹, offering a new method for rapid detection.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05756B, Edge Article

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Danyang Dou, Bingbing Zhang, Daqing Yang, Ying Wang
By adopting an extended octupolar π-conjugation strategy, two excellent optical functional materials with a strong SHG response and large birefringence were prepared.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05482B, Edge Article

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Gongming Yang, Shangde Liu, Shujie Ji, Xingsen Wu, Jian Wang
The unprecedented non-enzymatically atroposelective synthesis of planar-chiral macrocycles via a Pd/NHC sequential catalytic intermolecular macrocyclization is reported.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05286B, Edge Article

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Lu-Lu Ma, Pavel N. Zolotarev, Kang Zhou, Xin Zhou, Jiaqi Liu, Jiafeng Miao, Shenfang Li, Guo-Ping Yang, Yao-Yu Wang, Davide M. Proserpio, Jing Li, Hao Wang
Regulated adsorptive separation of alkane/alkenes has been achieved through engineering the coordinated water arrays in MOF channels.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06389A, Edge Article

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Liam P. Griffin, Simon Aldridge
Zinc boryl and metal–metal bonded Zn(I) complexes can be accessed from a common Zn(II) iodide precursor and bis(pinacolaton)diboron(4).
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05873A, Edge Article

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Junyuan Duan, Yinghe Zhao, Yu Wu, Youwen Liu, Junnian Chen, Ruoou Yang, Jiazhao Huang, Chuanqi Luo, Mao Wu, Xiaodong Zheng, Pengyu Li, Xueliang Jiang, Jianguo Guan, Tianyou Zhai
A novel approach of strain-induced charge delocalization is developed to significantly reduce the exciton binding energy of Ta₂O₅ nanorods to below ambient thermal energy, leading to a remarkable enhancement in photocatalytic hydrogen evolution.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06684G, Edge Article

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David M. Whalley, Luca Carlino, Okky Dwichandra Putra, Niall A. Anderson, Susannah C. Coote, Olivier Lorthioir
A synthesis of 2-oxabicyclo-[2.1.1]hexanes from readily available allyl alcohols and electron-poor arylalkynes. The transformation utilises phosphine catalysis and energy transfer catalysis for rapid assembly of these diverse scaffolds.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC02262A, Edge Article

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Samantha Hollands, Julia Tasch, David J. Simon, Dimah Wassouf, Isobel Barber, Arne Gessner, Andreas Bechthold, David L. Zechel
The noncanonical biosynthesis of curacozole by Streptomyces curacoi is shown to be dependent on the bldA-encoded Leu-tRNA^UUA. The minimal biosynthetic gene cluster is defined, and the functions of key biosynthetic enzymes are established in vitro.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06670G, Edge Article

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Yuhua Sun, Riku Kitahara, Tomoya Ichino, Yuki Ide, Hisanori Senboku, Soji Shimizu, Takayuki Tanaka, Yasuhide Inokuma
A cyclo[4]pyrrole bearing pyrrole(α)–pyrrole(β) direct linkages was synthesized from an oligoketone precursor. Cyclo[4]pyrrole exhibited a non-planar macrocyclic structure whose global π-conjugation was altered depending on the dihedral angles.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06190J, Edge Article

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Canjia Zhai, Ethan Cross Zulueta, Alexander Mariscal, Chengkai Xu, Yunpeng Cui, Xudong Wang, Huang Wu, Carson Doan, Lukasz Wojtas, Haixin Zhang, Jianfeng Cai, Libin Ye, Kun Wang, Wenqi Liu
Incorporating pyridinium into an anthracene-based macrocycle significantly enhances its sugar binding affinity by increasing hydrogen bonding and expanding the contact surface area.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06581F, Edge Article

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Lijun You, Daniel Roth, Lutz Greb
A structural constraint approach at a P–P bond is presented that enables the phosphinophosphination of alkynes, alkenes, and carbonyls with high regio- and diastereoselectivity. The apolar nature of the P–P bond facilitates a concerted mechanism.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06369D, Edge Article

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Xiao Jing Lv, Chun Zhi Ai, Li Rong Zhang, Xiu Xiu Ma, Juan Juan Zhang, Jia Peng Zhu, Ren Xiang Tan
BruN and BTG13 cleave chrysophanol hydroquinone into monodictyphenone and cephalanone F, respectively, with the regioselectivities found tunable via the key amino acid (AA) substitution strategy.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04925J, Edge Article

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Jia-Qi Tian, Nan-Nan Deng
A dynamic satellite–parent liposome network was developed to explore molecular transfer and quantitative microreactions through environmental stimuli, offering a platform to mimic multicellular systems in vitro.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06012A, Edge Article

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Menglu Chen, Shuai You, Tingting Guo, Haohao Ren, Longzu Zhu, Peize Wang, Wenbo Sheng, Chenliang Gong, Wei Li
CuBr-mediated surface-initiated controlled radical polymerization for polymer brushes with patterned and block architectures over large areas in air is reported.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04742G, Edge Article

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Zhengxian Yang, Weigang Cai, Wen Zhu, Xiaoxu Zheng, Xiaoqi Shi, Mengjie Qiu, Zhong Chen, Maili Liu, Yanqin Lin
High quality chemical shift resolved spectra have long been pursued in nuclear magnetic resonance (NMR). In order to obtain chemical shift information with high resolution and sensitivity, a neural network...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05860G, Edge Article

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Florian Reichenauer, Robert Naumann, Christoph Förster, Winald Robert Robert Kitzmann, Antti-Pekka M. Reponen, Sascha Feldmann, Katja Heinze
Six-coordinate chromium(III) complexes with high spin-flip (SF) photoluminescence quantum yields and lifetimes (molecular rubies) have attracted huge interest in the past years due to their applicability in sensing, photocatalysis or...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04960H, Edge Article

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Livin Paul, Elizabeth Mariam Thomas, Akshaya Chemmangat, Stephen Gray, K. George Thomas
The photoluminescence properties of quantum dots (QDs) are often enhanced by eliminating surface trap states through chemical methods. Alternatively, a physical approach is presented here for improving photoluminescence purity in...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06462C, Edge Article

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Jieli Lin, Shihua Liu, Shunlin Zheng, Hansjörg Grützmacher, Cheng-Yong Su, Zhongshu Li
Phosphaenones, like their carbon analogue enones (C=C–C=O), are promising building blocks for synthetic chemistry and materials science. However, in contrast to the α- and β-phosphaenones, structurally and spectroscopically well-defined diphosphaenones...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06109H, Edge Article

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Debobroto Sensharma, Seth M Cohen
Metal-Organic Frameworks (MOFs) constructed using cross-linked oligomeric or polymeric ligands (OligoMOFs and PolyMOFs respectively) have so far relied on a handful of canonical structural blueprints, in which the cross-links have...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC07165D, Edge Article

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Hana Janeková, Sergey Fisher, Tomas Solomek, Peter Stacko
Near-infrared light-activated photocages enable controlling molecules with tissue penetrating light. Understanding the structural aspects that govern the photouncaging process is essential to enhancing their efficacy, crucial for practical applications. Here...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04629C, Edge Article

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Paven Kisten, Sandrine Vincendeau, Eric Manoury, Jason Martin Lynam, John M. Slattery, Simon B Duckett, Agusti Lledos, Rinaldo Poli
The catalytic asymmetric hydrogenation of ketones reflect an important way to prepare valuable chiral alcohols. Understanding how transition metals promote these reactions is key to the rational design of more...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06182A, Edge Article

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Weijie Zheng, Zhibiao Cui, Cong Liu, Libei Yuan, Shengsong Li, Lilin Lin, Tao Meng, Liangui Yang, Yexiang Tong, Dong Shu
Aqueous zinc-ion batteries (AZIBs) with MnO2 cathodes have promising application prospects, however, their performance is hindered by their low efficiency and insufficient life. By leveraging the nanomicellar properties of cetyltrimethylammonium...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06227B, Edge Article

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Fengjie Chen, Jingde Wu, Dou Wang, Yu Xia, Qingyuan Song, Ying Liang, Pu Wang, Bolei Chen, Yong Liang, Yongguang Yin, Yawei Wang, Maoyong Song, Guibin Jiang
Water–solid contact electrification is a common physical phenomenon involving interfacial electron and ion transfer, recently discovered to trigger unique redox reactions.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05627B, Edge Article

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Timothy Krogmeier, Anthony W Schlimgen, Kade Head-Marsden
Understanding the spin dynamics in low-temperature settings is crucial to designing and optimizing molecular spin systems for use in emerging quantum technologies. At low temperatures, irreversible loss occurs due to...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06989G, Edge Article

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Sandeep Bose, Yu Xia, Richard N. Zare
Understanding the Formation of Nitrate from Nitrogen at the Interface of Gas-Water MicrobubblesWater microbubbles containing Fe2+ ion has been found to efficiently transform nitrogen (N2) to nitrate (NO3-) by initiating...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06213B, Edge Article

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Shiguo Zhang, Guanyu Liu, Zhichao Mao, Shanfeng Xue, Qikun Sun, Wenjun Yang
Synthesized CDIA and ODIA via cyclization, obtained long-lived RTP polymers with lifetimes of 2146 and 2656 ms. Experimental and theoretical data show cyclization effectively restrains intramolecular rotation and stabilizes triplet populations.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05955G, Edge Article

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Dustin R. Broderick, John M. Herbert
Self-interaction error leads to runaway error accumulation when density functional theory is used in conjunction with the many-body expansion.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05499G, Edge Article

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Matthew G. Miyada, Yuran Choi, Kyle Rich, James J. La Clair, Michael D. Burkart
A highly sensitive solvatochromic system was developed to monitor the loading and interactivity of carrier proteins associated with fatty acid, polyketide and non-ribosomal peptide biosynthesis.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05799F, Edge Article

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Kang Liu, Haikuo Lan, Yuting Chen, Weicheng Tang, Zhenyu Xiao, Yunmei Du, Jun Xing, Zexing Wu, Lei Wang
An amorphous MOG electrochemically reconstitutes to a crystalline NiOOH/FeOOH heterostructure with the morphology changed from nanofibers to nanosheets as a high-performance OER electrocatalyst.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05884D, Edge Article

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Mehrafshan G. Jafari, John B. Russell, Hwan Myung, Seongyeon Kwon, Patrick J. Carroll, Michael R. Gau, Mu-Hyun Baik, Daniel J. Mindiola
The reactivity of a [V^V] alkylidyne with unsaturated substrates such as NCR (R = Ad or Ph) and PCAd leads to the formation of rare transition metal complexes featuring an α-aza-vanadacyclobutadiene and a β-phospha-vanadacyclobutadiene moieties.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04038D, Edge Article

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Wanru Han, Zhenyan Zhao, Kui Jiang, Yu Lan, Xuehan Yu, Xiaoyu Jiang, Wei Yang, Donghui Wei, Shi-Jun Li, Linbin Niu
Dual ligand-enabled iron photocatalysis for the conversion of all kinds of halogen-containing carboxylates (C_nX_mCOO⁻, X: F, Cl, Br) to C_nX_m radicals is disclosed for chloro/fluoro-polyhaloalkylation of non-activated alkenes.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06403H, Edge Article

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Dan-Dan Zhou, Chun-Li Hu, Xin-Wei Zhang, Jiang-Gao Mao, Fang Kong
Successful synthesis of centrosymmetric Ga(Te₃O₇)Br and non-centrosymmetric M₂(OH)(TeO₃)(Te₂O₅)X (M = Al, Ga; X = Br, Cl) using a depolymerization strategy.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05710D, Edge Article

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Shengen Gong, Meihua Zhu, Yan Zhou, Runan Li, Jianhua Zhang, Xiaoteng Jia, Danming Chao, Caiyun Wang
A conductive polymer cathode with high redox potential is realized by pre-doping Mn²⁺ into PANI, which demonstrates an interactive dual energy storage mechanism of reversible doping of multiple cations and dissolution–deposition of Mn²⁺.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC03970J, Edge Article

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Aneta Závodná, Petr Janovský, Václav Kolařík, Jas S. Ward, Zdeňka Prucková, Michal Rouchal, Kari Rissanen, Robert Vícha
Repulsions between portals of cucurbit[n]urils are sufficiently strong to unlock the rotaxane structure.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06335J, Edge Article

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Leibing Wang, Zhongyu Feng, Zhen Luo, Zihao Guo, Jieping Wang, Wenbin Yi
The one-step direct synthesis of N-perfluoro-tert-butyl secondary amines utilizes TMSCF₃ as the sole CF₃ source and the starting material N-CF₃ secondary amine itself as the hydrogen source. PFtB amines can be effectively employed in ¹⁹F MRI.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06083K, Edge Article

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Minhye Kim, Heekyoung Choi, Minjoo Kim, Seonghan Kim, Seohyeon Yun, Eunji Lee, Jaeheung Cho, Sung Ho Jung, Jong Hwa Jung
The modification of metalloligands based on bis-type amideterpyridine platinum(II) complexes not only induces the formation of helical supramolecular polymers but also introduces a kinetic trapping strategy in competitive conditions.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06537A, Edge Article

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Álvaro Valdés-Maqueda, Manuel Plaza, Carlos Valdés
The photochemical carboborylation of α,β-unsaturated tosylhydrazones with boronic acids gives tertiary allylboronates. A one pot sequence involving an aldehyde allylation provides a powerful three-component method for diversity oriented synthesis.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06103A, Edge Article

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Yuheng Fu, Bingbing Xie, Miaoxia Liu, Shaojuan Hou, Qunyan Zhu, Alexander Kuhn, Lin Zhang, Wensheng Yang, Neso Sojic
A novel bipolar electrochemistry approach for wireless dual-color ECL emission at the water/organic interface is developed. This system overcomes spatial limitations of conventional methods, enabling imaging of complex multiphase environments.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05743K, Edge Article

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Xinyi Wen, Huishan Li, Zhijie Ju, Renren Deng, David Parker
Six Eu(III) and Tb(III) complexes are evaluated for the rapid ratiometric analysis of urate in diluted serum, together with mechanistic studies probing the intermediate exciplex and the excited state dynamics by transient absorption spectroscopy.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05707D, Perspective

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Naoki Ogiwara, Wei Zhou, Sayaka Uchida
Al oxo-hydroxide clusters are formed through the hydrolysis of Al³⁺-containing solutions, exhibiting a diversity of sizes and shapes. The assembly of these clusters demonstrates functional applications, such as adsorption and heterogeneous catalysis.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06902A, Edge Article

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August J. Rothenberger, Harrison M. Bergman, He Li, Miao Qi, Yunfei Wang, Yi Liu, T. Don Tilley
Conjugated ladder polymers (CLPs) are difficult yet captivating synthetic targets due to their fully unsaturated fused backbones. Inherent challenges associated with their synthesis often lead to low yields, structural defects,...
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