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Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02714K, Paper
Ana Cristina Resende Gonçalves, Silvia Helena Libardi, Júlio Cesar Borges, Ronaldo Junio de Oliveira, Carla Gotzmann, Olivier Blacque, Sergio Albuquerque, Carla Duque Lopes, Roger Alberto, Pedro Ivo da Silva Maia
The diagnosis and treatment of Chagas disease (CD) in the chronic phase remains a challenge. With that in mind, a potential theranostic device based on the trypanocidal agent known as...
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An octanuclear 3-phenyl-5-(2-pyridyl)pyrazolate/phenylsilsesquioxane complex: synthesis, unique structure, and catalytic activity

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02690J, Communication
Alexey Bilyachenko, Victor N Khrustalev, Zhibin Huang, Lidia S. Shul'pina, Pavel Dorovatovskii, Elena Shubina, Nikolay S. Ikonnikov, Nikolai N. Lobanov, Karim G. Rahimov, Di Sun
First metallasilsesquioxane bearing pyrazolylpyridine ligands, Cu8-based complex 1, adopts cage structure with two zigzag-like copper tetramers sandwiched by two cyclic Si5 silsesquioxane ligands. Four 3-phenyl-5-(2-pyridyl)pyrazolate ligands in 1 exhibit dual...
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Zn(II) coordination influences the secondary structure, but not antimicrobial activity of the N-terminal histatin 3 hydrolysis product

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02274B, Paper
Emilia Dzień, Joanna Wątły, Aleksandra Hecel, Aleksandra Mikołajczyk, Agnieszka Matera-Witkiewicz, Miquel Adrover, Miquel Barceló-Oliver, Alicia Domínguez-Martín, Magdalena Rowińska-Żyrek
Histatin 3 and 4 have greater activity against Gram(+) than Gram(−) bacteria, and Cu(II) or Zn(II) binding can moderately increase their antimicrobial activity. The N-terminal part of histatin 3 becomes α-helical upon Zn(II) binding.
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Quantitative determination and subcellular mapping of Pt-based drugs in single breast tumour cells via laser ablation-ICP-mass spectrometry

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02467B, Paper
Open Access
Legna Colina-Vegas, Thibaut Van Acker, Wilmer Villarreal, Olivier De Wever, Alzir Azevedo Batista, Joaquim Araújo Nóbrega, Frank Vanhaecke
This study utilizes LA-ICP-MS to reveal the distribution and determine the concentration of Pt in MDA-MB-231 cells, providing insight into the mechanism and efficacy of Pt-based chemotherapeutic drugs.
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Solvent-dependent Ln(III) clusters assembled by immobilization of CO2 in the air: zero-field single-molecule magnets and magnetic refrigerant materials

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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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Syntheses, structures and characterization of noncentrosymmetric MZnPO4 (M = K, NH4)

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02530J, Paper
Jiawei Zhao, Wei Wei, Meihui Chen, Yanna Chen, Donghai An
Two phosphates, KZnPO4 and NH4ZnPO4, were successfully synthesized, and both structures show a three-way skeleton of isolated PO4 and ZnO4 tetrahedra. And NCS KZnPO4 and NH4ZnPO4 can exhibit SHG responses of 0.4 × KDP and 1 × KDP.
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A Zr-based metal–organic framework drug release system with long-lasting antibacterial behavior for accelerating wound healing

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02734E, Paper
Hui-Qian Zheng, Han-Xiao Feng, Bing-Xin Li, Yi-Fei Hui, Yi-Han Lin, Xian-Feng Su, Lai-Peng Yan, Zijie Zhou, Zu-Jin Lin, Faqiang Tang
A biocompatible Zr-based metal–organic framework drug release system, CIP@SU-102, was fabricated by the cation exchange method, which shows superior and long-lasting antibacterial activity as well as effective promotion of infected wound healing.
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Exploring the versatility of MoSe2/WS2 heterostructures

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02075H, Paper
Tuan V. Vu, Dat D. Vo, Cuong Q. Nguyen, Nguyen N. Hieu, Huynh V. Phuc, Chuong V. Nguyen
Two-dimensional materials and their combined heterostructures have paved the way for numerous next-generation electronic and optoelectronic applications.
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The mechanism of Mo-nitrogenase: from N2 capture to first release of NH3

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02606C, Paper
Ian Dance
I describe how nitrogenase catalyses N2 → HNNH → HNNH2 → NH3 + NH and how the calculated dynamics explain recent kinetics data.
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Solvatomorphic Phase Transitions and Tunable Luminescence Emission in Lanthanide Metal-Organic Frameworks

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02613F, Paper
Alena A. Vasileva, Pavel A. Demakov, Tatiana Y. Guselnikova, Alexey A. Ryadun, Vladimir P Fedin, Danil N. Dybtsev
Four new metal-organic frameworks with the formulae [Sm2(phen)2(NO3)2(chdc)2]·2Solv, where Solv = N,N-dimethylformamide (DMF; 1), N,N-dimethylacetamide (DMA; 2), N,N-diethylformamide (DEF; 3), N-formylpiperidine (NFP; 4), phen = 1,10-phenanthroline and chdc2– = trans-1,4-cyclohexanedicarboxylate...
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Hydrate of neutral iron(III) complex based on pyruvic acid thiosemicarbazone ligand with abrupt spin-crossover with T1/2=340 K and wide hysteresis loop of 45 K

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02901A, Paper
Maxim Andreevich Blagov, Alexander V. Akimov, Anatoly S Lobach, Leokadiya Zorina, Sergey Simonov, Konstantin Zakharov, Alexander Vasiliev, Natalia Spitsyna
The hydrate of neutral iron(III) complex based on pyruvic acid thiosemicarbazone ligand [FeIII(Hthpy)(thpy)]·H2O (1) was synthesized and characterized using FT-IR spectroscopy, powder and single-crystal X-ray diffraction, dc magnetic measurements, EPR...
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A ratiometric luminescence thermometer based on lanthanide encapsulated complexes

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02639J, Paper
Aribam Rishikanta Sharma, Atom Rajiv Singh, Anju Ajayan Kongasseri, Swadhin Garain, Ann Mariella Babu, Rajkumari Lonibala, Raju Laishram
This paper describes the synthesis of various luminescent Tb and Eu complexes by encapsulation in a Ca-complex. The synthesised material was then used as a ratiometric luminescence thermometer, in which thermometric parameters could be tuned.
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Syntheses and structures of dimesitylphosphinite complexes of alkali metals and their catalytic activity in hydrophosphorylation reactions

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02721C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Benjamin E. Fener, Philipp Schüler, Phil Liebing, Helmar Görls, Matthias Westerhausen
The diarylphosphinite complexes of the alkali metals exhibit a broad structural variety. Especially for potassium dimesitylphosphinite, the heterocubane cage can be broken down into dimeric K2O2 units by adding oligodentate ether molecules.
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Design and theoretical analysis of a tunable bifunctional metasurface absorber based on vanadium dioxide and photoconductive silicon

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02563F, Paper
Changfeng Fu, Xinke Wang, Yicheng Zhang, Jiaxin Ju, Wei Fan, Xiaobo Yan, Lianfu Han
A bifunctional metasurface absorber based on vanadium dioxide (VO2) and photoconductive silicon (PSi) is proposed, which can be switched from dual- to single-broadband absorption by VO2, and the absorptivity is tunable by varying σPSi.
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One-pot facile synthesis of rod-like Bi2S3 particles in deep eutectic solvent and their ppb-level selective H2S gas detection

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT03006K, Communication
Reiko Furukawa, Takuya Hasegawa, Ayahisa Okawa, Shu Yin
Rod-like Bi2S3 particles were synthesized by one-pot reactions with choline chloride-based DESs, and showed sub-ppm level selective H2S gas detection. Acetamide-based DES yielded uniform particles with excellent gas sensitivity.
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Two amino-functionalized metal–organic frameworks with different topologies for C2H2/C2H4 separation

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02592J, Communication
Yue Li, Mingming Xu, Hongyan Liu, Xiaokang Wang, Yutong Wang, Meng Sun, Weidong Fan, Daofeng Sun
Two amino-functionalized metal–organic frameworks (UPC-121 and UPC-122) with different topologies were obtained by regulating metal ions. Among them, UPC-122 exhibit the potential to separate C2H2/C2H4 at room temperature.
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A highly sensitive ratiometric optical thermometer based on Sr2MgWO6 double perovskite doped with Dy3+ exploiting thermally coupled and uncoupled levels

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02940B, Paper
Thi Hong Quan Vu, Bartosz Bondzior, Dagmara Stefanska, Shovan Dan, Przemysław Jacek Dereń
The increasing demand for highly sensitive optical thermometers operating within a wide temperature range necessitates the development of new phosphors. In this work, the potential of temperature sensing performance of...
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Highly selective organo-gallium hydroxamate mediated inhibition of antibiotic resistant Klebsiella pneumoniae

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02440K, Paper
Rebekah N. Duffin, Jenisi Kelderman, Megan Herdman, Philip Craig Andrews
Five complexes of gallium derived from hydroxamic acids have been synthesised, characterised, and their anti-bacterial activity and mammalian cell toxicity established. These are three metal-organic complexes; [Ga(BPHA]3 1, [Ga(BHA-H]3 2,...
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Co-doping regulation on Ni-based electrocatalysts to adjust the selectivity of oxygen reduction reaction for Zn–air batteries and H2O2 production

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Dalton Trans., 2024, 53,17819-17828
DOI: 10.1039/D4DT01625D, Paper
Songhan Hu, Kai Wang, Xinxin Xu, Qiang Wang
Two Ni-based electrocatalysts with different ORR selectivity were synthesized from a NiMOF, which show promising prospects in Zn–air batteries and H2O2 production.
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Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of a colorectal carcinoma cell line

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Dalton Trans., 2024, 53,17803-17818
DOI: 10.1039/D4DT01490A, Paper
Open Access
Francisco Reigosa-Chamorro, Sandra Cordeiro, M. Teresa Pereira, Beatriz Filipe, Pedro V. Baptista, Alexandra R. Fernandes, José M. Vila
The study of the antiproliferative activity of thiosemicarbazone platinacycles puts forward their high selectivity and low IC50 values.
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A grain-like cerium oxide nanostructure: synthesis and uric acid sensing application

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Dalton Trans., 2024, 53,17794-17802
DOI: 10.1039/D4DT02056A, Paper
Rafiq Ahmad, Sakeena Masrat, Md. Tabish Rehman, Mohamed F. AlAjmi, Shamshad Alam, Prabhash Mishra, Byeong-Il Lee
Hydrothermally prepared grain-like CeO2 nanostructures were useful for creating a high-performance and non-enzymatic sensor for uric acid detection.
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Advances in metal–organic frameworks for optically selective alkaline phosphatase activity monitoring: a perspective

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Dalton Trans., 2024, 53,17742-17755
DOI: 10.1039/D4DT01727G, Perspective
Eduarda Andrade, Filipe A. Almeida Paz, Flávio Figueira
MOFs can play three essential roles in ALP monitoring: they can serve as fluorescent probes, function in oxidation or peroxidation mechanisms, or combine both processes.
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Excited-state intramolecular proton transfer (ESIPT) active interwoven polycatenated coordination polymer for selective detection of Al3+ and Ag+ ions along with water detection in less polar solvents

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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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BODIPY dyes for optical limiting applications on the nanosecond timescale

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Dalton Trans., 2024, 53,17766-17771
DOI: 10.1039/D4DT02505A, Frontier
John Mack, Gugu Kubheka, Aviwe May, Bokolombe P. Ngoy, Tebello Nyokong
Recent research at the Institute for Nanotechnology Innovation at Rhodes University exploring the utility of BODIPY and azaBODIPY dyes for optical limiting of incident nanosecond laser pulses in the visible region is described.
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Metal–organic framework-derived Se-blended ZrO2 with a nitrogen-doped carbon heterostructure for electrocatalytic overall water splitting

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Dalton Trans., 2024, 53,17918-17933
DOI: 10.1039/D4DT02542C, Paper
Krishnendu M. Nair, Pavithra Shankar, Selvaraju Thangavelu
Electrocatalytic overall water splitting is achieved with ease at 1.58 V together with exciting stability over 48 h.
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Fluorescent molecular systems based on carborane-perylenediimide conjugates

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Dalton Trans., 2024, 53,17841-17851
DOI: 10.1039/D4DT02477J, Paper
Open Access
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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Direct O2 mediated oxidation of a Ni(II)N3O structural model complex for the active site of nickel acireductone dioxygenase (Ni-ARD): characterization, biomimetic reactivity, and enzymatic implications

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Dalton Trans., 2024, 53,17852-17863
DOI: 10.1039/D4DT02538E, Paper
Kelsey E. Kirsch, Mary E. Little, Thomas R. Cundari, Emily El-Shaer, Georgia Barone, Vincent M. Lynch, Santiago A. Toledo
A structural and functional biomimetic Ni(II)N3O complex, capable of O2 mediated dioxygenase like C–C bond cleavage, via a putative high-valent Ni intermediate.
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Three organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes: synthesis, characterization, and catalytic studies for oxidation of styrene

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Dalton Trans., 2024, 53,17880-17892
DOI: 10.1039/D4DT02544J, Paper
Zhi-Cheng Duan, Guanghua Li, Ke-Chang Li, Xiao-Bing Cui
Three novel organic–inorganic polyoxoniobate-based compounds modified with Cu(II) amine complexes were synthesized under hydrothermal conditions. Additionally, the catalytic efficacy of these compounds in the oxidation of styrene was investigated.
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Imine bond-directed assembly of polyoxometalate-based metal–organic frameworks

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Dalton Trans., 2024, 53,17902-17908
DOI: 10.1039/D4DT02609H, Paper
Xiang Yu, Xinyu Xu, Lei Gao, Rengan Luo, Yi-Fan Liu, Yu-Hao Gu, Shuai Yuan
A series of isostructural polyoxometalate-based MOFs were constructed by linking polyoxometalates and metal clusters with imine bonds under mild conditions.
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Neutral mononuclear indium(III) photosensitizers for CO2 photoreduction

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Dalton Trans., 2024, 53,17772-17776
DOI: 10.1039/D4DT02595D, Communication
Zaichao Zhang, Li-Zhi Fu, Piao He, Xiao-Yi Yi
Neutral mononuclear indium(III) complexes (In-1–In-3) containing 2,6-di(1H-pyrrol-2-yl)pyridine and substituted dipyridylpyrrole pincer ligands are employed as photosensitizers in photocatalytic CO2 reduction.
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The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions

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Dalton Trans., 2024, 53,18013-18020
DOI: 10.1039/D4DT02533D, Paper
Open Access
Lorenzo Palio, Francis Bru, Tommaso Ruggiero, Laurens Bourda, Kristof Van Hecke, Catherine Cazin, Steven P. Nolan
Despite the widespread use of well-defined PdII complexes as pre-catalysts for cross-coupling processes, the role of the throw-away ligand is still underexplored.
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An acidity-triggered aggregation nanoplatform based on degradable mesoporous organosilica nanoparticles for precise drug delivery and phototherapy of focal bacterial infection

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Dalton Trans., 2024, 53,17893-17901
DOI: 10.1039/D4DT02111H, Paper
Yunhan Huang, Wei Guo, Xinyu Wang, Jingrui Chang, Bo Lu
An acidity-triggered aggregation antibacterial nanoplatform based on biodegradable mesoporous organic silica nanoparticles, is reported. It enables precise drug release and spatial accuracy for photodynamic therapy and photothermal therapy.
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Synthesis and relaxivity of gadolinium-based DOTAGA conjugated 3-phosphoglycerate

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Dalton Trans., 2024, 53,17777-17782
DOI: 10.1039/D4DT02766C, Communication
Open Access
Andrew R. Brotherton, Shifa Noor Mohamed, Thomas J. Meade
A Gd-DOTAGA based MR contrast agent conjugated to 3-phosphoglycerate for enhanced relaxivity and investigation into its metabolism.
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The effect of second coordination sphere interactions on the magnetic anisotropy of transition metals

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02873B, Paper
Sofie S. Leiszner, Mauro Perfetti, Emil Damgaard-Møller, Yu-Sheng Chen, Bo B. Iversen
By investigating second coordination sphere effects on the magnetic anisotropy of a Co(II) single molecule magnet (SMM), we aim to clarify their role in magneto-structural correlations to enhance the performance of transition metal SMMs.
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Beyond the triple bond: unlocking dinitrogen activation with tailored superbase phosphines

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02703E, Paper
Vilakkathala U. Krishnapriya, Cherumuttathu H. Suresh
Dinitrogen activation has long been a challenging goal in chemistry. Tailored superbase phosphines offer a promising approach to overcome this challenge by going beyond the traditional triple bond.
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A mechanistic study of chiral manganese porphyrin-catalyzed enantioselective C–H hydroxylation reaction

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02452D, Paper
Jing-Kun Gao, Wandong Chen, Junjie Tai, Zhengwei Chen, Hang Liu, Yuxin Du, Yiting Jiang, Yuanbin She, Yun-Fang Yang
This study uses DFT to explain the enantioselectivity of C–H hydroxylation by a chiral manganese porphyrin. A two-point hydrogen bonding favors pro-(S) C–H bond abstraction by 1.9 kcal mol−1, leading to (S)-hydroxylated products.
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Heats of formation on the way from B2H6 to B20H16: thermochemical consequences of multicenter bonding in ab initio and DFT methods

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02589J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jindřich Fanfrlík, Jan Řezáč, Drahomír Hnyk, Josef Holub
The objective of this study is to evaluate the effectiveness of various computational methods in reproducing the experimental heats of formation of boron hydrides using the atomization energy approach.
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Synthesis of organo-uranium(II) species in the gas-phase using reactions between [UH]+ and nitriles

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02508C, Paper
Justin G. Terhorst, Theodore A. Corcovilos, Samuel J. Lenze, Michael J. van Stipdonk
A series of gas-phase, σ-bonded [U–R]+ species (R = CH3, C2H3, C2H5, C3H7, or C5H6) can be generated by using preparative tandem mass spectrometry (PTMSn) via ion-molecule reactions between [UH]+ and neutral nitriles.
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Thieno[3,2-b]thiophene based-bridged BODIPY dimer: synthesis, e-chem, one- and two-photon photophysical properties

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02655A, Paper
Z. Chai, Tingting Gu, Annaelle Beau, Frederic Bolze, Claude P Gros, Liang Xu, Donghai Shi, Hai-Jun Xu
Four BODIPY dyes (6a ~ 6d) with electron-donating or electron-withdrawing groups at the meso-position were synthesized by Sonogashira coupling reaction of thieno[3,2-b]thiophene with mono-iodo-BODIPY moiety. All compounds were fully characterized...
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Recent Advances in Syntheses and Emerging Applications of 2D Borophene based Nanomaterials with a Focus on Supercapacitors

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02573C, Frontier
Prashanta Pal, Mahasweta Nandi
Two dimensional (2D) nanosheet of boron i.e. borophene, triggered interest in progressive research as a result of the vast field of opportunities to explore, from its innovative synthetic techniques to...
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Detailed mechanism of DNA/RNA nucleobase substituting bridging ligand in diruthenium (II,III) and dirhodium (II,II) tetraacetato paddlewheel complexes: Protonation of the leaving acetate is crucial

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Dalton Trans., 2024, Accepted Manuscript
DOI: 10.1039/D4DT02621G, Paper
Open Access
Iogann Tolbatov, Tiziano Marzo, Paolo Umari, Diego La Mendola, Alessandro Marrone
Paddlewheel complexes of bimetallic scaffolds are emerging metallic agents in the bioinorganic chemistry landscape. In the most commonly employed construct, these complexes are decorated by carboxylate moiety, prompting their possible...
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Single-ion magnetism in novel Btp-based cobalt complexes of different charge

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Dalton Trans., 2024, Advance Article
DOI: 10.1039/D4DT02338B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Gustavo Rama-Martínez, Marcelo Osorio-Celis, Yolanda Sabater-Algarra, Diego Sánchez-Brunete, Antonio L. Llamas-Saiz, Eugenia P. Quirós-Díez, M. Eugenio Vázquez, Miguel Vázquez López, María del Carmen Giménez López
By deprotonating Btp-derived ligands, precise control over counterions in the outer-coordination sphere is achieved in both neutral and charged anisotropic CoII complexes exhibiting field-induced single-ion magnetism.
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