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/D4SC05998K, Edge Article

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Xue Bai, Yin Wang, Jingyi Han, Siyu Chen, Xiaodi Niu, Jingqi Guan
Utilizing double coordination shell modulation, we construct a novel nitrogen-free single-atom manganese coordination configuration catalyst on graphene oxide (Mn–S₁O₄G), which exhibits excellent ORR and zinc–air battery performances.
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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/D4SC05437G, Perspective

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Li Li, Wenhan Xu, Guanchun Rui, Shixian Zhang, Qiming Zhang, Qing Wang
Electrostatic capacitors (ECs) are critical components in advanced electronics and electric power systems due to their rapid charge-discharge rate and high power density. While polymers are ideal for ECs due...
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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/D4SC05375C, Edge Article

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Guanlun Zhang, Xu Wu, Shiyu Mao, Mengqi Li, Honglong Hu, Bing-Feng Shi, Weihong Zhu
Sterically-hindered diarylethenes with intrinsic chirality have shown great potential in chiral signal regulation, light-controlled liquid crystals (LCs), etc. Their unique enantiospecific phototransformation between axial chirality of ring-open isomer and central...
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Chem. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4SC04738A, Edge Article

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Hao-Ting Qu, Iida Partanen, Kai-Hsin Chang, Yan-Ding Lin, Igor O Koshevoy, Andrey Belyaev, Pi-Tai Chou
By strategic design and synthesis of a new series of phosphonium salts (compounds 1–7[OTf]), where [OTf]- stands for the trifluoromethanesulfonate anion, we performed comprehensive spectroscopic and dynamic studies on the...
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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/D4SC05788K, Edge Article

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Utsav Dey Sarkar, Mahima Rana, Harinath Chakrapani
A new series of phenacylselenoesters that generate hydrogen selenide in the presence of esterase and a biological thiol under ambient conditions is reported.
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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/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/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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