Chem. Sci., 2024, 15,18048-18051
DOI: 10.1039/D4SC04980B, Edge Article

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Minling Zhong, Jie Zhang, Zuowei Xie
Reactions of o-carborane-fused diborane(4) with 3H-diazirines lead to the complete cleavage of the NN bond, with one nitrogen atom being incorporated into the B–B bond.
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Chem. Sci., 2024, 15,17739-17759
DOI: 10.1039/D4SC05489J, Perspective

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Upasana Deori, Gyana Prakash Nanda, Caroline Murawski, Pachaiyappan Rajamalli
The evolution of next-generation HF-OLED technology and current challenges.
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Chem. Sci., 2024, 15,17799-17822
DOI: 10.1039/D4SC05295A, Review Article

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Miaoyu Li, Jie Pu, Qinghe Cao, Wenbo Zhao, Yong Gao, Ting Meng, Jipeng Chen, Cao Guan
The application of hydrogel-based flexible strain sensors in harsh environments, including extreme temperatures, humidity, high mechanical strain, and strong corrosion, is investigated.
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Chem. Sci., 2024, 15,17823-17830
DOI: 10.1039/D4SC03546A, Edge Article

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Jonghwan Lee, Sungsik Eom, Hyungjun Kim
This work explores intramolecular singlet fission chromophores having diverse thiophene-based linkers and highlights the relation between quantum interference and nonadiabatic coupling in the multiexciton formation step of singlet fission.
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Chem. Sci., 2024, 15,17971-17978
DOI: 10.1039/D4SC04685D, Edge Article

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Shuo Li, Guoli Zhang, Qianrui Li, Tianshun He, Xiaoqi Sun
A facile self-saturation strategy, realized by the introduction of a hydrophobic methyl group on naphthoquinone, is demonstrated to suppress the dissolution of small molecule cathode materials and achieve stable cycling in aqueous zinc cells.
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Chem. Sci., 2024, 15,18022-18030
DOI: 10.1039/D4SC04429K, Edge Article

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Julius A. Knöller, Franziska Müller, Tomas Matulaitis, John M. dos Santos, Abhishek Kumar Gupta, Eli Zysman-Colman, Sabine Laschat
We developed a MR-TADF based, columnar liquid crystalline host system and doped it with a MR-TADF guest. Efficient FRET allowed us to construct the first columnar liquid crystal with narrowband MR-TADF from the strongly aggregated mesophase.
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Chem. Sci., 2024, 15,18111-18126
DOI: 10.1039/D4SC04852K, Edge Article

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Feng An, Jan Brossette, Harish Jangra, Yin Wei, Min Shi, Hendrik Zipse, Armin R. Ofial
Combined experimental and quantum-chemical studies were used to characterise the philicity/fugality features of tertiary phosphines and Michael acceptors in phospha-Michael reactions, which are key steps in phosphine-catalysed organic reactions.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04620J, Edge Article

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Odin Zhang, Yufei Huang, Shichen Cheng, Mengyao Yu, Xujun Zhang, Haitao Lin, Yundian Zeng, Mingyang Wang, Zhenxing Wu, Huifeng Zhao, Zaixi Zhang, Chenqing Hua, Yu Kang, Sunliang Cui, Peichen Pan, Chang-Yu Hsieh, Tingjun Hou
FragGen introduces a novel fragment-based AI-based molecular design method. It proposes the geometry handling protocol to improve the generation quality and has been applied to design highly bioactive type II kinase inhibitors.
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Chem. Sci., 2024, 15,17720-17738
DOI: 10.1039/D4SC04288C, Perspective

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Errui Li, Kevin M. Siniard, Zhenzhen Yang, Sheng Dai
In this perspective, recent discoveries in the integration of gas storage and catalysis by leveraging PL platforms have been summarized, highlighting the unique features different from those of traditional homogeneous or heterogeneous procedures.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04879B, Edge Article

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Jingjing Yu, Marius Gaedke, Satyajit Das, Daniel L. Stares, Christoph A. Schalley, Fredrik Schaufelberger
Dynamic covalent boronic ester bonds can pre-organise diol-containing threads and V-shaped boronic acid ligands towards mechanical interlocking. After interlocking, the pre-rotaxane could be modified to create many unique [2]rotaxanes architectures.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC06780K, Edge Article

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Jihoon Jang, Ho Seong Hwang, Haeryeong Jeong, Eun Jin Cho
An electrochemical trifluoromethylation method for terminal alkynes has been developed, facilitating the synthesis of CF₃-alkynes with DMSO as a masking auxiliary.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05424E, Edge Article

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Laurent Knerr, Thomas Cogswell, Marie. Ahlqvist, Richard James Lewis, Anneli Nordqvist, Christian Sköld
Conformational control of drug candidates to engineer improved potency and ADME properties is an ongoing area of research. Macrocyclic rings tend to offer a greater degree of rigidity than non-cyclised...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC90219J, Correction

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Tayyaba Najam, Syed Shoaib Ahmad Shah, Hanqing Yin, Xin Xiao, Shamraiz Talib, Qianqian Ji, Yonggui Deng, Muhammad Sufyan Javed, Jie Hu, Ruo Zhao, Aijun Du, Xingke Cai, Qiang Xu
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC04767B, Edge Article

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Lucie Pedussaut, Nolwenn Mahieu, Camille Chartier, Thayalan Rajeshkumar, Maxime Tricoire, Iskander Douair, Nicolas Casaretto, Laurent Maron, Grégory Danoun, Grégory Nocton
Reversible light isomerization in organometallic complexes of lanthanides: the low-energy wavelengths favor the cis isomer, and the high-energy wavelengths favor the trans isomer.
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05736H, Review Article

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Ritu Gupta, Anujit Balo, Rabia Garg, Amit Kumar Mondal, Koyel Banerjee Ghosh, Prakash Chandra Mondal
This review highlights recent experimental findings related to the chirality-induced spin selectivity effect. This effect is demonstrated to explain asymmetric electron's spin transport in chiral molecules for various technological applications.
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC06820C, Review Article

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Seungwon Sun, Jisu Choe, Jaeheung Cho
In biological systems, nitric oxide (NO) is a crucial signaling molecule that regulates a wide range of physiological and pathological processes. Given the significance of NO, there has been considerable...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04589K, Edge Article

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Athulya Nadol, Florian Venel, Raynald Giovine, Maeva Leloire, Christophe Volkringer, Thierry Loiseau, Christel Gervais, Caroline Mellot-Draznieks, Bertrand Doumert, Julien Trébosc, Olivier Lafon, Frédérique Pourpoint
The stability of metal-organic frameworks (MOFs) in the presence of water is crucial for a wide range of applications, including the production of freshwater, desiccation, humidity control, heat pumps/chillers and...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC03942D, Edge Article

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Darren Dolan, Rebekah Brucato, Christopher William Reid, Adam F. Lee, Karen Wilson, Adelina M Voutchkova-Kostal
Cleavage of lignin ether bonds via transfer hydrogenolysis is a promising route to valorize lignin, but processes that use mild reaction conditions and exploit renewable hydrogen donor solvents (rather than...
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Chem. Sci., 2024, Advance Article
DOI: 10.1039/D4SC05121A, Edge Article

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Saideep Singh, Joaquín Martínez-Ortigosa, Nuria Ortuño, Vivek Polshettiwar, Javier García-Martínez
By optimizing zeolite pore confinement, polymer diffusion and up-cycling efficiency in hierarchical catalysts are significantly enhanced, reducing plastic degradation temperatures and providing a suitable route to sustainable plastic-to-fuel pathways.
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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, 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/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/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/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, 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/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, 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, 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/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/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/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/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/D4SC04957H, Edge Article

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Marinella de Giovanetti, Sondre H. Hopen Eliasson, Sigbjørn L. Bore, Odile Eisenstein, Michele Cascella
The preferred structures of lithium halides (LiX, with X = Cl, Br, I) in organic solvents have been the subject of a wide scientific debate, and a large variety of...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05459H, Edge Article

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Lukas Bissegger, Theodora Alexandra Alexandra Constantin, Erhan Keles, Luka Raguž, Isobel Barlow-Busch, Clara Orbegozo, Thorsten Schaefer, Valentina Borlandelli, Thomas Bohnacker, Rohitha SriRamaratnam, Alexander Schäfer, Matthias Gstaiger, John E. Burke, Chiara Borsari, Matthias Wymann
Chemical probes have gained importance in the elucidation of signal transduction in biology. Insufficient selectivity and potency, lack of cellular activity and inappropriate use of chemical probes has major consequences...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04197F, Edge Article

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weikang Wu, Thayalan Rajeshkumar, Shan Zhu, Fuxiang Chai, Dongjing Hong, ZeMing Huang, Qingbing Yuan, Laurent Maron, Shaowu Wang
The rare-earth metal dialkyl complexes (κ²-L¹)RE(CH₂SiMe₃)₂(THF)₂ [RE = Lu(1a), Yb(1b), Er(1c), Y(1d), Dy(1e)] (L¹ = 1-(2-N-C₅H₁₀NCH₂CH₂)-3-(2,6-ⁱPr₂C₆H₃N=CH)-C₈H₄N) and the rare-earth metal monoalkyl complexes (κ²-L¹)₂RE(CH₂SiMe₃)(THF)_n [n = 0, RE = Lu(2a), Yb(2b);...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05396F, Edge Article

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Sarah E. Lindahl, Erin M. Metzger, Chun-Hsing Chen, Maren Pink, Jeff Zaleski
Using a diverse array of thermally robust phosphine enediyne ligands (dxpeb, X = Ph, Ph-pOCH3, Ph-pCF3, Ph-m2CH3, Ph-m2CF3, iPr, Cy, and tBu) a novel suite of cisplatin-like Pt(II) metalloenediynes (3,...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC05469E, Edge Article

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Jennifer Shyong, Jinliang Wang, Tran Quoc Dung Huynh, Marina Fayzullina, Bo Yuan, Ching-Kuo Lee, Thomas Minehan, Paul M. Seidler, Clay Wang
Alzheimer’s Disease (AD) is a neurodegenerative disorder proven to be caused by the aggregation of protein tau into fibrils, resulting in neuronal death. The irreparable neuronal damage leads to irreversible...
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