Inorg. Chem. Front., 2024, 11,2413-2426
DOI: 10.1039/D4QI00454J, Research Article

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Jie Yan, Yi Pan, I-Che Peng, Wen-Yi Hung, Bingjie Hu, Guowei Ni, Shek-Man Yiu, Yun Chi, Kai Chung Lau
Di-CF₃-functionalized benzo[d]imidazol-3-ium pro-chelates were employed in the selective syntheses of fac-coordinated Ir(III) carbene emitters for efficient blue electroluminescence and hyperphosphorescence.
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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI00691G, Research Article

Cai-Ming Liu, Rong Sun, Xiang Hao, Xi-Li Li, Bingwu Wang
Four pairs of homochiral Dy₂ complexes were directionally prepared using homochiral β-diketone ligands {D-Htfc/L-Htfc = (+)/(−)-3-trifluoroacetyl camphor, D-Hpfc/L-Hpfc = 3-(perfluorobutyryl)-(+)/(−)-camphor} and hydrazone Schiff base bridging ligands {H₂L1 = (E)-N'-(2-hydroxy-3-methoxybenzylidene)pyrazine-2-carbohydrazide, H₂L2...
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Inorg. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QI00636D, Research Article

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Shi-Qiang Wang, Shaza Darwish, Catiucia Matos, Zicong Marvin Wong, Anjaiah Nalaparaju, Yifei Luo, Jun Zhu, Xiaofei Zhang, Zhengtao Xu, Michael Zaworotko
Shape-memory effects and stimuli-induced phase transformations are observed across many types of materials but remain understudied in molecular materials. In this contribution, we revisit the Werner complex, [Ni(4-MePy)4(NCS)2] (4-MePy =...
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI00547C, Research Article

Zhaopeng Sun, Hao Tian, Meng Zhang, Yi Zhang, Zhiping Li, Weiwei Huang
The modulation mechanisms of Na⁺ within the redox-active sites of the two-dimensional conjugated organic small-molecule 3BQ, and their impact on the initial capacity of a 3BQ cathode for Na-ion batteries, were investigated using first-principles calculations.
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Inorg. Chem. Front., 2024, Advance Article
DOI: 10.1039/D4QI00605D, Research Article

Xiaoxue Ma, Xin Li, Xueke Han, Lu Zhang, Ronghua Liu, Hongguo Hao, Hui Yan, Xin Zhao, Xiangjin Kong, Huawei Zhou, Xia Li, Hongjie Zhu, Suna Wang, Yunwu Li, Dichang Zhong, Fangna Dai
Two outstanding proton conducting materials have been obtained by loading TFA molecules onto/into the surface or pores of MOFs. After post-treatment, their proton conductivity values are greatly increased under the same conditions.
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Chem. Sci., 2024, 15,18060-18066
DOI: 10.1039/D4SC05442C, Edge Article

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Zheng-Xiao Tang, Bin Wang, Zhi-Rui Li, Zhuo Huang, Hai-Xia Zhao, La-Sheng Long, Lan-Sun Zheng
A molecule-based ferroelectric [(CH₃)₃NCH₂CH₂Br][GaBr₄] (1), with a d₃₃ value of 331 pC N⁻¹, was synthesized. The power density of the 1@S-PDMS piezoelectric sensor, featuring optimized microstructures, is up to 490 μW cm⁻².
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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, 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, 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/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, 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/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/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/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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Anal. Methods, 2024, Advance Article
DOI: 10.1039/D4AY90029D, Correction

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Sabrina Di Masi, Marco Costa, Francesco Canfarotta, Antonio Guerreiro, Alicia Hartley, Sergey A. Piletsky, Cosimino Malitesta
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RSC Med. Chem., 2024, 15,3395-3417
DOI: 10.1039/D4MD00334A, Research Article

Vu Ngoc Toan, Do Son Hai, Hoang Thi Kim Van, Nguyen Minh Tri, Duong Ngoc Toan, Nguyen Thi Thanh Mai, Nguyen Dinh Thanh
D-Glucose-conjugated thioureas from 2-aminopyrimidines had inhibitory activity against α-amylase, α-glucosidase, DPP-4, PTP1B. The cytotoxicity, inhibitory kinetics, and molecular simulations of the most potent inhibitors 8k, 8j, 8f, and 8h were studied.
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RSC Med. Chem., 2024, 15,3495-3506
DOI: 10.1039/D4MD00275J, Research Article

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Thomas J. Cogswell, Laia Josa-Culleré, David Zimmer, Sébastien R. G. Galan, Morgan Jay-Smith, Kate S. Harris, Carole J. R. Bataille, Thomas R. Jackson, Douzi Zhang, Stephen G. Davies, Paresh Vyas, Thomas A. Milne, Graham M. Wynne, Angela J. Russell
The optimisation of a class of AML differentiation agents is described to show improved potency, solubility and stability, reduced off target toxicity, and tumour regression in a murine model in vivo.
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RSC Med. Chem., 2024, 15,3529-3557
DOI: 10.1039/D4MD00481G, Research Article

Mohamed K. S. El-Nagar, Mai I. Shahin, Mohammed F. El-Behairy, Ehab S. Taher, Mohamed F. El-Badawy, Marwa Sharaky, Dalal A. Abou El Ella, Khaled A. M. Abouzid, Mai Adel
Discovery of novel pyridazinone derivatives with dual antimicrobial and anticancer activities.
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RSC Med. Chem., 2024, 15,3485-3494
DOI: 10.1039/D4MD00246F, Research Article

Shouguo Peng, Haixia Li, Weilu Cui, Tianning Xiong, Jiaqi Hu, Haixiang Qi, Songwen Lin, Deyu Wu, Ming Ji, Heng Xu
A novel PSMA–PI3K small molecule drug conjugate has been prepared, highlighting its potential in targeted cancer therapy.
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RSC Med. Chem., 2024, 15,3616-3624
DOI: 10.1039/D4MD00306C, Research Article

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Adam Throup, Manar Saleh Zraikat, Andrew Gordon, Shohreh Jafarinejad Soumehsaraei, Kathrin D. Haase, Laurence H. Patterson, Patricia A. Cooper, Katherine Hanlon, Paul M. Loadman, Mark Sutherland, Steven D. Shnyder, Helen M. Sheldrake
Cyclobutanes provide a versatile scaffold for the synthesis of small molecule integrin antagonists with good metabolic stability and in vivo tolerability.
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RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00673A, Review Article

Juhyung Song, Cheoljun Park, Francis E. B. Cabanting, Yong Woong Jun
Potential therapeutic target proteins for upregulating DNA repair system are reviewed, along with reported small-molecule activators.
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RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00594E, Research Article

Nagat Ghareb, Khaled M. Darwish, Mohamed S. Nafie, Ranwa Elrayess, Noha M. Abourobe, Shaimaa A. Fattah, Reem M. Hazem, Eman T. Mehanna, Ranza Elrayess
One benzene-sulfonamide derivative exhibited potent protein tyrosine phosphatase-1B inhibition for managing diabetes mellitus and associated metabolic disorders.
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Soft Matter, 2024, 20,8480-8492
DOI: 10.1039/D4SM00875H, Paper

Weikang Xian, Amitesh Maiti, Andrew P. Saab, Ying Li
Polydimethylsiloxane and its copolymer systems have a wide range of application. We systematically develop a coarse-grained MD model for PDMS-co-PDPS system. The model preserves the structural and dynamic properties of the material quantitatively.
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM90171A, Retraction

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Naohiro Kameta, Masumi Asakawa, Mitsutoshi Masuda, Toshimi Shimizu
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM90172J, Retraction

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Naohiro Kameta, Hiroyuki Minamikawa, Mitsutoshi Masuda
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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00528G, Paper

Nicolas Herard, Raja Annapooranan, Todd Henry, Martin Kroger, Shengqiang Cai, Nicholas Boechler, Yelena Sliozberg
This paper presents a coarse-grained molecular dynamics simulation study of the synthesis, mechanics, and thermal actuation of nematic phase main-chain liquid crystal elastomers (LCEs), a type of soft, temperature-responsive, polymeric...
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Soft Matter, 2024, 20,8549-8560
DOI: 10.1039/D4SM01053A, Review Article

Ruslan Kashapov, Yuliya Razuvayeva, Elena Fedorova, Lucia Zakharova
Supramolecular self-assembly of polymers with macrocycles has attracted the attention because it enables the spontaneous creation of nanostructures with unique properties.
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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00871E, Paper

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Jiaxin Hou, William W Sampson, Ahu Gumrah Dumanli
A coarse-grained molecular dynamics model is developed to explore the co-assembly of cellulose nanocrystals (CNCs) and gold nanorods (AuNRs) under sedimentation conditions with varying vol- umetric concentration and particle-size ratios....
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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00960F, Review Article

Panyang Chen, Huahua Fan, Sifan Du, Xin Wen, Li Zhang, Minghua Liu
Chiral analytes can bind to an achiral fluorescent system to generate circularly polarized luminescence (CPL). Subsequently, the CPL signal can be employed to determine the absolute configuration of the chiral substrate.
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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00695J, Paper

Redhills L. Narendran, Archita Patnaik
pH responsive self-assembled supramolecular systems in water hold tremendous promise spanning across the various realms of science and technology. Herein, we report the design and synthesis of benzyl viologen (BV)...
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Org. Chem. Front., 2024, Accepted Manuscript
DOI: 10.1039/D4QO01848F, Research Article

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Tobias B. Tischer, Zulema Fernandez, Lorenz Borsdorf, Constantin Daniliuc, Shigehiro Yamaguchi, Soichiro Ogi, Gustavo Fernandez
Supramolecular polymers are often investigated for highly symmetric and planar molecules, such as typically explored BF2-substituted BODIPY dyes . However, it is surprising that the possibility of desymmetrizing the sp3...
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Org. Chem. Front., 2024, 11,6358-6366
DOI: 10.1039/D4QO01498G, Research Article

Heng Li, Zhijin Li, Juli Jiang, Chen Lin, Leyong Wang
This work reported that 37 different difficult-to-crystallize guest molecules were co-crystallized with the host macrocycle F[3]A1-[P(O)Ph]₃ at room temperature, and the molecular structures of the guests could be determined by SCXRD.
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Org. Chem. Front., 2024, 11,6293-6303
DOI: 10.1039/D4QO01470G, Research Article

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Martina Mazzaferro, Daniele Crisafulli, Francesca Mancuso, Marco Milone, Fausto Puntoriero, Anna Irto, Salvatore Patanè, Valentina Greco, Alessandro Giuffrida, Ilenia Pisagatti, Anna Notti, Melchiorre F. Parisi, Giuseppe Gattuso
A supramolecular copolymer, composed of a bis-pillar[5]arene diacid and complementary alkylidene- and perylene-bisimide-bis-imidazole comonomers, acts as an OFF/ON luminescent sensor for spermine.
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Org. Chem. Front., 2025, Accepted Manuscript
DOI: 10.1039/D4QO01913J, Research Article

Xue-Qiang Chu, Yu-Lan Chen, Chi Zhang, Xue-Ying Huang, Yu Ding, Danhua Ge, Zhi-Liang Shen
Alkene diamination represents one of the most straightforward strategies for 1,2-diamine derivatives synthesis. However, transition-metal-free 1,2-diamination of fluoroalkenes has been less studied. Here we report an intermolecular defluorinative vicinal diamination...
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RSC Adv., 2024, 14,35227-35231
DOI: 10.1039/D4RA06592A, Paper

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Simon Plaize, Jean-François Morin
This study reports the use of phenylsulfonates as photolabile groups to generate aryl radicals, which undergo radical cyclization to yield triphenylene derivatives. The reaction is efficiently carried out under 365 nm with a triplet sensitizer.
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RSC Adv., 2024, 14,35697-35703
DOI: 10.1039/D4RA05559D, Paper

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Jian-Jian Bian, Shi-Jin Tang, Jiao Miao, Rui Lin, Guo-Li Huang, Ming-Yu Teng, Xiao-Mei Li
Two categories of supramolecular polymer monomers were produced by introducing the ureidopyrimidone quadruple-hydrogen bonding assemblies on the calix[4]arene and the β-cyclodextrin host units, which adsorbed up to 99% of Pb²⁺ and Cd²⁺.
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RSC Adv., 2024, 14,36209-36225
DOI: 10.1039/D4RA06890D, Paper

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Hajara Akhter, Susmita Sarker Ritu, Shahariar Siddique, Fariha Chowdhury, Rehnuma Tasmiyah Chowdhury, Samina Akhter, Mahmuda Hakim
A facile green route to synthesize zinc oxide nanoparticles using watermelon rind extract with antimicrobial and photocatalytic potential.
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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02698E, Paper

Zhibo Chen, Tianhong Luo, Jinrong Wen, Zhanqiang Liu, Jingshan Hou, Yongzheng Fang, Ganghua Zhang
Non-toxic molecular ferroelectrics have attracted significant interest due to their unique flexibility, low costs, and environmental friendliness. However, the variety of such materials with narrow bandgaps and above room temperature...
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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02310B, Paper

Cai-Ming Liu, Xiang Hao, Zhao-Bo Hu, He-Rui Wen
The automatic fixation of CO₂ in the air plays a key role in the construction of Dy(III) single-molecule magnets (SMMs) and Gd(III) magnetic refrigeration molecular materials using Ln(III)Cl₃ (Ln =...
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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02656J, Paper

Tomasz Wojnowski, Anna Ordyszewska, Hanna Halenka, Iwona Anusiewicz, Jarosław Chojnacki, Kinga Kaniewska-Laskowska, Rafał Grubba
The reactivity of the phosphinoborenium cation supported by a 1,3,4,5-tetramethylimidazolin-2-ylidene ligand toward small molecules was explored. The phosphinoborenium cation exhibited dual Lewis acid–base properties due to the presence of the...
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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT01863J, Paper

Rodrigo P. Monteiro, Isabel B. Calhau, Ana C. Gomes, André D. Lopes, José P. Da Silva, Isabel S. Gonçalves, Martyn Pillinger
For inclusion compounds between the complex [CpMo(CO)₃Me] (1) and β-cyclodextrin or cucurbit[7]uril, the macrocyclic hosts modulate to different degrees the UV light-mediated CO release from encapsulated 1.
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Dalton Trans., 2024, 53,17756-17765
DOI: 10.1039/D4DT01868K, Frontier

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Timothée Lathion, Neel Deorukhkar, Charlotte Egger, Homayoun Nozary, Claude Piguet
Efficient and easy lanthanide(III)-based luminescence reading of iron(II) spin-state equilibria presents an attractive challenge, owing to the delicate combination of the primogenic effect and the Fermi golden rule.
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Dalton Trans., 2024, 53,18003-18012
DOI: 10.1039/D4DT02285H, Paper

Anupam Maiti, Rakesh Kumar, Bidyadhar Mahato, Debajyoti Ghoshal
An ESIPT active coordination polymer is successfully synthesized, exhibiting ESIPT induced blue shift for Al³⁺ ions and ESIPT-off for Ag⁺ ions. The material can also detect polar water, dimethylformamide and methanol in less polar organic solvents.
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Dalton Trans., 2024, 53,17841-17851
DOI: 10.1039/D4DT02477J, Paper

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Ruben Rodriguez-Madrid, Sohini Sinha, Laura Parejo, Jordi Hernando, Rosario Núñez
o-Carborane–perylenediimide conjugates exhibit exceptional fluorescence properties in solution, while red-light excimer emission is observed in their aggregated forms and in dispersible nanoparticles.
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Energy Environ. Sci., 2024, 17,8349-8359
DOI: 10.1039/D4EE03232B, Paper

Da-Qian Cai, Haiyang Cheng, Jin-Lin Yang, Huan Liu, Tao Xiao, Xin Liu, Minghua Chen, Hong Jin Fan
The Zn/electrolyte interface with parallelly adsorbed Pym molecules can efficiently suppress corrosion and HER and simultaneously accelerate Zn redox kinetics by inducing zincophilicity.
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Energy Environ. Sci., 2024, Advance Article
DOI: 10.1039/D4EE03754E, Paper

Jingyu Shi, Pengfei Ding, Jintao Zhu, Zhenyu Chen, Shuangjiao Gao, Xueliang Yu, Xiaochun Liao, Quan Liu, Ziyi Ge
Through systematically selecting the numbers and positions of selenium atom of giant-molecule acceptors, the device based on PM6:GMA-SSeS yields the highest PCE of 19.37% with high V_OC of 0.917 V and exhibits extended t_80% lifetimes of 5600 h.
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Food Funct., 2024, 15,11083-11095
DOI: 10.1039/D4FO03543G, Paper

Wenshan Nan, Jialin Yin, Wenhao Hao, Huali Meng, Junduo Wu, Xiao Yin, Hao Wu
Cardamonin inhibited macrophage M1 polarization in diabetic cardiomyopathy by binding to KEAP1, leading to the dissociation of NRF2 from KEAP1. This promoted NRF2 nuclear translocation and antioxidant gene expression in M1 polarized macrophages.
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