Review
Chemistry, Multidisciplinary
Lipiao Bao, Ting Xu, Kun Guo, Wenhuan Huang, Xing Lu
Summary: This review discusses the morphological evolution mechanism of supramolecularly assembled fullerene micro-/nano-architectures (FMNAs) and explores strategies to precisely regulate their dimensions and morphologies through solvent engineering, co-crystallization, surfactant incorporation, or post-fabrication treatment. It focuses not only on C-60-based FMNAs, but also on FMNAs comprising higher fullerenes (e.g., C-70) and metallofullerenes. The review summarizes the multidisciplinary applications of FMNAs in various fields, such as sensors, optoelectronics, biomedicines, and energy, and provides prospects for future research, application opportunities, and challenges associated with FMNAs.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Toi Kobayashi, Naoya Kumagai
Summary: A new 15-membered-macrocyclic molecular entity, oxa-TriQuinoline (o-TQ), was designed and synthesized. o-TQ can serve as a new tridentate nitrogen ligand to capture a Cu-I cation and adopt a bowl shape, before supramolecular complexation with corannulene and [12]cycloparaphenylene (CPP) occurs through π-π and CH-π interactions. In the presence of the Cu-I cation, the non-emissive o-TQ becomes a highly emissive material in the solid state, whereby the emission wavelengths depend on the ancillary ligand on the Cu-I cation. The o-TQ/Cu-I complex is able to promote carbene catalysis to provide a range of enamines with a gem-difluorinated terminus.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Christophe Kahlfuss, Shagor Chowdhury, Aderito Fins Carreira, Raymond Gruber, Elise Dumont, Denis Frath, Floris Chevallier, Eric-Saint-Aman, Christophe Bucher
Summary: The metal-induced self-assembly strategy promotes the pi-dimerization of viologen-based radicals, forming discrete box-shaped 2:2 macrocycles or coordination polymers. Changing the redox state of the tectons leads to reversible inflation/deflation of the macrocyclic assemblies, with viologen-centered electron transfer triggering dissociation of coordination polymers. The driving force of the disassembling process is the formation of stabilized 2:2 assemblies through pi-dimerization of viologen cation radicals.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Isabel Lopez-Martin, Jacobo Veiga-Herrero, Fatima Aparicio, David Gonzalez-Rodriguez
Summary: We describe an optimized design and modular synthetic approach for the formation of discrete macrocyclic species of controllable size and shape through amidinium-carboxylate interactions in both apolar and polar media.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Analytical
Cristina Medina-Bailon, Tapas Dutta, Ali Rezaei, Daniel Nagy, Fikru Adamu-Lema, Vihar P. Georgiev, Asen Asenov
Summary: The paper introduces a new flexible multi-scale nano TCAD simulation software named NESS, designed for studying charge transport in contemporary and novel ultra-scaled semiconductor devices. NESS contains multiple numerical solver modules and is capable of self-consistent solutions. Examples showcased in the paper demonstrate the capabilities of NESS in simulating advanced nano-scale semiconductor devices.
Article
Crystallography
Edward R. T. Tiekink
Summary: A survey of the crystallographic literature shows that delocalised C-I center dot center dot center dot pi(arene) interactions exist in 3% of metal-organic crystal structures, which is lower than the 4% noted for all-organic crystals.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Kwaku Twum, Sanaz Nadimi, Frank Boateng Osei, Rakesh Puttreddy, Yvonne Bessem Ojong, John J. Hayward, Kari Rissanen, John F. Trant, Ngong Kodiah Beyeh
Summary: In this study, the formation of a three-component halogen-bonded ternary assembly in a protic polar solvent system is achieved by utilizing the binding of fused aromatic N-heterocycles in an open resorcinarene cavity to template the assembly. This approach overcomes the challenges posed by the overwhelming quantity of competing solvent.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Shilin Yu, Khai-Nghi Truong, Marcel Siepmann, Arto Siiri, Christian Schumacher, Jas S. Ward, Kari Rissanen
Summary: A series of LH[Z-I-Z] halogen(I) complexes were synthesized and characterized. These complexes consist of a [N-I-N]- anion with a three-center-four-electron (3c-4e) halogen bond, and a hydrogen bonding or inert cation. The symmetric [N-I-N]- anion is structurally equivalent to its cationic analogue [N-I-N]+. However, the [N-I-N]- complexes with a hydrogen bond to only one saccharinato moiety showed asymmetry in the N-I bond lengths, similar to the asymmetric heteroleptic [N-I-N]+ complexes.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Chemistry, Applied
Johanna M. Alaranta, Khai-Nghi Truong, Maria Francisca Matus, Sami A. Malola, Kari T. Rissanen, Sailee S. Shroff, Varpu S. Marjomaki, Hannu J. Haekkienen, Tanja M. Lahtinen
Summary: In recent years, there has been a significant increase in the studies of RNA and the development of RNA based vaccines. While cyanine dyes are commonly used for studying nucleic acids, there is a growing need for better and brighter dyes. In this study, the structure of SYBR green-related cyanine dyes was systematically studied to gain a deeper understanding of their interactions with biomolecules, particularly nucleic acids, and the components that contribute to their strong fluorescence. Through synthesis, evaluation, and computational modeling, new dyes with enhanced photophysical properties were discovered, and their interactions with DNA were investigated using molecular docking and dynamics calculations.
Article
Chemistry, Inorganic & Nuclear
Ariadna Lazaro, Ramon Bosque, Jas S. Ward, Kari Rissanen, Margarita Crespo, Laura Rodriguez
Summary: Two series of Pt(II)-cyclometallated compounds with different (NCN)-C-boolean AND-N-boolean AND ligands and alkynyl-chromophore ligands were synthesized and characterized. The presence of weak intermolecular contacts leading to dimerization or aggregation was observed in the crystal structures of some compounds. The photophysical characterization showed two emission bands in solution, originating from the N<^>C<^>N ligands and (MLCT)-M-3/(ILCT)-I-3 transitions, and the formation of excimers with near-infrared (NIR) emission was identified in compounds with phenanthrene chromophores. Aggregates emitting at around 650 nm were also detected in acetonitrile/water mixtures.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Dipankar Das, Sourav Sutradhar, Rosa M. Gomila, Kari Rissanen, Antonio Frontera, Biswa Nath Ghosh
Summary: A simple 1:1 cadmium (II) complex CdCl2L with a 4-[4-(4-aminophenyl)phenyl]-2,2':6',2-terpyridine ligand L was synthesized and characterized by 1H NMR and single-crystal X-ray diffraction. The crystal structure revealed a distorted trigonal bipyramidal geometry for the Cd(II) ion, which coordinated to three nitrogen atoms and two chlorine atoms. The complex displayed selective detection of pyrophosphate anion (P2O7 4 -, PPi) in a CH3CN-H2O solution, showing a LOD of -2.4 μM.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Organic
Xianliang Wang, Kari Rissanen, Carsten Bolm
Summary: N-Trifluoroacetylated (N-TFA) sulfoximines react with 1-trifluoromethylstyrenes in a one-pot domino reaction to give fluorinated 5,6-dihydro-1,2-thiazine 1-oxides in good to high yields. The process involves three sequential reaction steps that can be characterized as (1) nucleophilic allylic substitution (S(N)2 '), (2) hydrolysis, and (3) intramolecular nucleophilic vinylic substitution (SNV). The products can further be modified by defluorination. The molecular structure of the resulting product was confirmed by X-ray crystallographic analysis.
Article
Chemistry, Multidisciplinary
Sanna Komulainen, P. U. Ashvin Iresh Fernando, Jiri Mares, Anne Selent, Roya Khalili, Paul T. Cesana, Andreas Ebeling, Anu M. Kantola, Ngong Kodiah Beyeh, Kari Rissanen, Brenton DeBoef, Perttu Lantto, Ville-Veikko Telkki
Summary: Functionalized cages encapsulating xenon atoms enable highly sensitive, background-free molecular imaging through HyperCEST 129Xe MRI. We introduce a class of potential biosensor cage structures based on two resorcinarene macrocycles bridged either by aliphatic carbon chains or piperazines. Computational predictions and experimental results confirm Xe encapsulation in the aliphatically bridged cage and double encapsulation in the piperazine-bridged resorcinarene.
CELL REPORTS PHYSICAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Pit van Bonn, Jinbo Ke, Christopher Weike, Jas S. Ward, Kari Rissanen, Carsten Bolm
Summary: Difluoromethyl ethers are obtained through mechanochemical reactions between alcohols and difluorocarbene in a mixer mill. The method is applicable to primary, secondary, and tertiary alcohols, yielding the corresponding products with excellent yields (up to 99%) after 1 hour at room temperature. The reactions take place under solvent-free conditions and the products are purified by filtration, resulting in significantly reduced waste generation.
Article
Chemistry, Multidisciplinary
Marco T. T. Passia, Niklas Bormann, Jas S. S. Ward, Kari Rissanen, Carsten Bolm
Summary: Despite being promising for applications in medicinal and agrochemical fields, sulfondiimines have been marginalized compounds. This study presents a metal-free synthetic method for the synthesis of N-monosubstituted sulfondiimines, overcoming their limitations in synthesis accessibility. By reacting S,S-dialkyl substrates with iodine, DBU, and iminoiodinanes in MeCN, the corresponding sulfondiimines were obtained with yields up to 85% (25 examples). Valuable free NH-N ' H-sulfondiimines were accessed through N-deprotection under mild reaction conditions. Experimental results and analysis propose a mechanistic pathway diverging from the radical-based iodine/iminoiodinane mechanism.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Parveen Kumar, Joonas Komulainen, Antonio Frontera, Jas S. Ward, Christoph Schalley, Kari Rissanen, Rakesh Puttreddy
Summary: Homoleptic [L-I-L](+) iodine(I) complexes were synthesized via the [L-Ag-L](+)-> [L-I-L](+) cation exchange reaction. In solution, the amines form [R3R2R1N-Ag-NR1R2R3](+) silver(I) complexes, which crystallize out as the meso-[L-Ag-L](+) complexes. Density functional theory calculations showed different interaction energies for Ag+-N and I+-N in silver(I) and iodine(I) complexes. X-ray crystal structures revealed unique short contacts between the silver(I) cation and flexible N-alkyl/N-aryl groups.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Niklas Bormann, Jas S. Ward, Ann Kathrin Bergmann, Paula Wenz, Kari Rissanen, Yiwei Gong, Wolf-Benedikt Hatz, Alexander Burbaum, Florian F. Mulks
Summary: This study reports a scalable, convenient, and inexpensive synthesis of stable diiminium-based reagents and investigates their application in acylation reactions. The adducts formed by coordination with pyridine donors exhibit good Lewis acid properties, allowing efficient conversion of acyl esters to amides and imides.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Jere K. Mannisto, Ljiljana Pavlovic, Johannes Heikkinen, Tony Tiainen, Aleksi Sahari, Norbert M. Maier, Kari Rissanen, Martin Nieger, Kathrin H. Hopmann, Timo Repo
Summary: We developed a mildsuperbase-catalyzed carboxylation method for the synthesis of drug-like O-alkyl carbamates. Our mechanistic study reveals that when superbases interact with indoles and azoles, uncharged hydrogen-bonded complexes are formed instead of ionic salts. These complexes can be converted into carbamate salts upon exposure to CO2. The carbamate salts can be further classified into stable and fluxional types, with the latter being poor substrates for alkylation. We also identified the substrate-specific factors responsible for the fluxional behavior and proposed strategies to stabilize the carbamate salts for efficient alkylation.
Article
Chemistry, Multidisciplinary
Rene Hommelsheim, Sandra Bausch, Robin van Nahl, Jas S. Ward, Kari Rissanen, Carsten Bolm
Summary: A variety of 3-amino-substituted benzothiadiazine oxides were synthesized via a one-step palladium-catalyzed cascade reaction of 2-azido sulfoximines with isonitriles. The desired heterocycles were obtained in good to excellent yields using very low catalyst loadings and short reaction times. This protocol provides direct access to precursors for pharmaceutically relevant sulfoximines.
Article
Materials Science, Multidisciplinary
Deepika Rani, P. C. Sreeparvathy, K. G. Suresh, Ratnamala Chatterjee, Aftab Alam
Summary: We report a class of spin gapless semiconductors (SGSs) with topological nontrivial features and fully compensated ferrimagnetic behavior in VTaNbAl, a quaternary Heusler alloy. These compounds have a unique band structure with opposite spin characters in the valence and conduction band edges, making them potential candidates for spin valves and a large anomalous Nernst effect. Despite the compensated ferrimagnetic behavior, VTaNbAl shows a reasonably large anomalous Hall effect possibly due to the intrinsic nonvanishing Berry curvature.
Article
Chemistry, Multidisciplinary
Milla Mattila, Kari Rissanen, Jas S. Ward
Summary: Three chiral carbonyl hypoiodites were synthesized from N-protected (S)-valine and formed ligand-stabilised (S)-valinoyl hypoiodite complexes with 4-dimethylaminopyridine, 4-pyrrolidinopyridine, and 4-morpholinopyridine as stabilising ligands. The structures of the complexes were determined through NMR (H-1, C-13, H-1-N-15 HMBC) and single crystal X-ray diffraction analysis.
CHEMICAL COMMUNICATIONS
(2023)
Review
Chemistry, Multidisciplinary
Dan He, Yawen Li, Fuwen Zhao, Yuze Lin
Summary: High trap density in organic solar cells leads to localized charge carriers and reduced carrier lifetime, limiting device efficiency. This feature article summarizes the recent advances of trap suppression by material design and device engineering.
CHEMICAL COMMUNICATIONS
(2024)
Review
Chemistry, Multidisciplinary
Olivier Monfort, Arshitha Madhusudhan, Martin Motola
Summary: This article presents the advantages of coupling photocatalysis and Fenton-based processes for environmental remediation and discusses their synergy. It critically examines the simultaneous triggering of these two processes and provides insights into research approaches. The study aims to enhance understanding of this complex process and highlight the potential integration of new catalysts in current wastewater treatment technology.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Manideepa Dhar, Chittaranjan Mishra, Avijit Das, Uttam Manna
Summary: An approach of 'polymerization of monomers in its aggregated form' has been introduced to tailor the water wettability of fibrous and porous substrates, achieving hydrophobicity to superhydrophobicity transition, as well as patterned wettability. This facile chemical method provides a durable coating with adjustable and patterned wettability for various potential applications.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Saswat Ranjan Bhoi, Chhanda Debnath, Shikha Gandhi
Summary: In this article, a novel catalytic reaction using Pd(0) and Bronsted acid is reported for the synthesis of biologically important imidazolidinone-fused N-heterocycles through redox-neutral intramolecular N-allylation of indoles and pyrroles with alkynes. This atom-economical method is applicable to a wide range of substrates and eliminates the need for leaving groups or oxidizing agents commonly used in traditional allylation reactions.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Longkun Chen, Mingshuai Zhang, Meichen Liu, Zhuoyuan Liu, Yuetong Qiu, Zhilai Zhang, Fuchao Yu, Jiuzhong Huang
Summary: In this study, an efficient Rh(III)-catalyzed selective mono- and dual-C-H bond functionalization/cyclization with iodonium ylide as the sole coupling partner was demonstrated. Fused benzodiazepine skeletons were obtained in excellent yields, providing an improved approach to dual C-H unsymmetrical functionalization.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Alice Kennett, Sven Epple, Gabriella van der Valk, Irene Georgiou, Evelyne Gout, Romain R. Vives, Angela J. Russell
Summary: This study presents the design and synthesis of sulfated disaccharide inhibitors based on IdoA(2S)-GlcNS(6S), which showed potent inhibition of Sulf-2. The results suggest that IdoA(2S)-GlcNS(6S) is the shortest fragment size required for effective inhibition of Sulfs, and a trisulfated disaccharide is identified as the minimal fragment size of heparan sulfate for effective endosulfatase inhibition.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Mauro Garbini, Andrea Brunetti, Riccardo Pedrazzani, Magda Monari, Massimo Marcaccio, Giulio Bertuzzi, Marco Bandini
Summary: The self-adaptability of galvanostatic electrolysis was found to be helpful in a multistage chemo- and diastereoselective electrochemically promoted cyclodimerization of chalcones. Through a series of reductive events, densely functionalized cyclopentanes with five contiguous stereocenters were obtained (25 examples, yields up to 95%, dr values up to >20:1). Further experimental and electrochemical investigations indicated the crucial role of dynamic kinetic resolution of the aldol intermediate in the reaction mechanism.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Dhananjay S. Nipate, Neha Meena, Prakash N. Swami, Krishnan Rangan, Anil Kumar
Summary: In this study, the synthesis of functionalized benzo[a]phenazines and indazolo[2,3-a]quinolines was achieved through Rh(III)-catalyzed oxidative annulation of 2-arylquinoxalines and 2-aryl-2H-indazoles with allyl alcohols. The method showed a wide substrate scope, excellent functional group tolerance, good to high yields of annulated products, and the capability for scaled-up synthesis. A tentative mechanism of the annulation reaction was proposed based on a preliminary mechanistic investigation.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Ruonan Zhang, Abudukadi Tudi, Xia Yang, Xuping Wang, Zhihua Yang, Shujuan Han, Shilie Pan
Summary: A new lead tellurium borate material with a unique fundamental building block [B4O10] was synthesized and found to exhibit high birefringence. The structure-property relationship was discussed using first-principles calculations.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Amresh Kumar Singh, Baishali Thakurta, Anupam Giri, Monalisa Pal
Summary: This study introduces three key concepts for the quick synthesis of large-scale high-quality 2D materials films and their utilization in device fabrication.
CHEMICAL COMMUNICATIONS
(2024)
Article
Chemistry, Multidisciplinary
Reina Hagiwara, Shun Nishimura, Kosuke Okeyoshi
Summary: A copolymer-conjugated nanocatalytic system has been developed to improve electron transfer and enhance photoinduced H2 generation.
CHEMICAL COMMUNICATIONS
(2024)
