Article
Chemistry, Multidisciplinary
Yunping Wu, Sheng Chen, Caihe Bai, Shuwen Niu, Wei Wei
Summary: The use of polyoxometalate clusters (POMs) has led to the development of cluster-assembled materials with various applications. However, controlling the interactions and organization of large POMs to achieve multi-level superlattices remains a challenge. This study presents a universal approach to modulate the coordination behavior and configurations of POM units, resulting in a class of cluster superlattice architectures. These superlattices, when sulfured, show enhanced power and cycling life as sodium-ion battery anodes.
Article
Chemistry, Multidisciplinary
Keigo Tashiro, Takuho Saito, Hironari Arima, Natsuki Suda, Balaraman Vedhanarayanan, Shiki Yagai
Summary: Chemists have constructed sophisticated artificial nanostructured systems through self-assembly, including scissor-shaped photochromic dyads that hierarchically self-assemble into discrete nanostructures with photoresponsive properties. These nanostructures, such as azobenzene dyads, can be dissociated and reorganized through the photoisomerization of azobenzene units, enabling controllable and adjustable structures.
Article
Chemistry, Multidisciplinary
Jotiram N. Malegaonkar, Mahmood D. Aljabri, Keerti Bhamidipati, Sachin D. Padghan, Mohammad Al Kobaisi, Rajesh S. Bhosale, Nagaprasad Puvvada, Sidhanath Bhosale, Sheshanath Bhosale
Summary: The supramolecular self-assembly of OPVPDA bolaamphiphile in different pH conditions was investigated. Various techniques were used to study the aggregation mode in solution and characterize the nanostructures formed. The results showed that pH had a significant effect on the self-assembly of OPVPDA, and different morphologies of OPVPDA could potentially be used in the development of biomaterials. Furthermore, OPVPDE exhibited better biocompatibility compared to OPVPDA.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Ikuya Matsumoto, Ryo Sekiya, Takeharu Haino
Summary: By decorating nanographenes with alkyl chains and controlling concentration, solvent polarity, temperature, and sonication, it is possible to achieve self-assembly and formation of stacked structures. Optical measurements and AFM images confirm the presence of stacked structures, while molecular mechanics calculations model the interactions within the aggregates. The nanographenes exhibit concentration-dependent morphologies, forming stacked structures at low concentrations and polymer-like network structures at higher concentrations on mica.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Sylvain Sudan, Farzaneh Fadaei-Tirani, Rosario Scopelliti, Kristina E. Ebbert, Guido H. Clever, Kay Severin
Summary: Thirteen palladium-ligand assemblies with different structures and topologies were studied for their ability to bind lithium ions. It was found that the addition of LiBF4 caused a significant structural rearrangement in one case, converting a dinuclear [Pd2L4](4+) complex into a low-symmetry [Pd4L8](8+) assembly with two binding pockets for solvated LiBF4 ion pairs. This rearrangement was only induced by Li+, indicating highly specific host-guest interactions. Structural analysis revealed that the [Pd4L8](8+) receptor had a compact structure with multiple intramolecular interactions, similar to natural and synthetic foldamers.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Zongshang Li, Ke Xiao, Qingyun Wan, Rui Tang, Kam-Hung Low, Xiaodong Cui, Chi-Ming Che
Summary: The introduction of multiple kinetic aggregation states (Aggs) into the self-assembly pathway can increase the complexity and flexibility of the self-assemblies. This was achieved by using a series of chiral and achiral d(10) Au-I bis(N-heterocyclic carbene, NHC) complexes, where the achiral complex could undergo self-assembly with multiple kinetic Aggs. The chiral Au-I self-assemblies exhibited nonlinear optical response of second harmonic generation (SHG) and could function as optical waveguides with strong emission polarization, while these properties were absent in the achiral analogue.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Daniel Hugenbusch, Marc Lehr, Jan-Simon von Glasenapp, Anna J. McConnell, Rainer Herges
Summary: We report the photo-switching properties of two regioisomeric diazocine ligands. The self-assembly of these ligands with Co-II ions was studied, and reversible transformation between different ligand configurations and Co-II complexes was achieved through light-controlled switching.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Mitsuaki Yamauchi, Seiya Yamamoto, Sadahiro Masuo
Summary: The study demonstrates a novel supramolecular coassembly system that forms highly ordered QD arrangement structures via self-assembly, enabling photocontrollable photoluminescence properties. The assembled system undergoes structural changes under light, but recovers its original structure and properties over time.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Physical
Lukasz Baran, Konrad Dyk, Daniel Michael Kaminski, Marek Stankevic, Wojciech Rzysko, Dariusz Tarasewicz, Tomasz Zientarski
Summary: In this study, the formation of self-assembled structures of tetraphenyl derivatives with different substitutions was investigated using classical molecular dynamics and quantum calculations. The results indicate that certain functional groups have a significant impact on the self-assembly process, and these molecules can form various ordered phases.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Multidisciplinary
Bin Sun, Eva J. J. Meeus, Felix J. J. de Zwart, Eduard O. O. Bobylev, Tiddo J. J. Mooibroek, Simon Mathew, Joost N. H. Reek
Summary: Coordination chemistry is a powerful method for synthesizing supramolecular cages with specific applications. This study successfully synthesized discrete, homochiral (Fe2L3)-L-II cages through chirality-driven self-assembly. The size of these cages can be controlled by stereochemical manipulation of the iron(II) centers, and their formation requires chirality at both the vertices and ligand backbones. The smaller cages exhibit stereoselectivity with only chiral ligands, and their formation is driven by non-covalent interactions.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Applied
Ruslan Kashapov, Yuliya Razuvayeva, Albina Ziganshina, Syumbelya Amerhanova, Anastasiia Sapunova, Alexandra Voloshina, Vadim Salnikov, Lucia Zakharova
Summary: This study demonstrates the use of amphiphilic viologen calix[4]resorcinol for the spontaneous co-aggregation with sodium caseinate, resulting in the formation of functional nanoparticles. These nanoparticles can solubilize both hydrophobic and hydrophilic molecules without the use of organic solvents, and exhibit cytotoxic and penetrating properties.
FOOD HYDROCOLLOIDS
(2023)
Article
Chemistry, Multidisciplinary
Chong-Bin Tian, Qing-Fu Sun
Summary: Discrete organopalladium coordination cages have great potential in various applications such as molecular recognition and sensing, drug delivery, and enzymatic catalysis. Heteroleptic cages with complex architectures and anisotropic cavities have received increasing attention recently. This concept article discusses a powerful self-assembly strategy for constructing a family of organopalladium cages from a given library of ligands, including both homoleptic and heteroleptic structures. The heteroleptic cages often exhibit fine-tuned structures and emergent properties, distinct from their homoleptic counterparts. The concepts and examples provided in this article offer rational guidance for the design of new coordination cages with advanced functions.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Organic
Trevor A. Shear, Jacob T. Mayhugh, Luca J. Zocchi, Isabella S. Demachkie, Henry J. Trubenstein, Lev N. Zakharov, Darren W. Johnson
Summary: Cyclophanes are compounds with unique properties, but their synthesis can be challenging. This study presents a metalloid-directed self-assembly method for synthesizing disulfide and thioether assemblies, and demonstrates its applicability to macrocycles and diverse cage structures.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Clement Falaise, Soumaya Khlifi, Pierre Bauduin, Philipp Schmid, William Shepard, Anton A. Ivanov, Maxim N. Sokolov, Michael A. Shestopalov, Pavel A. Abramov, Stephane Cordier, Jerome Marrot, Mohamed Haouas, Emmanuel Cadot
Summary: In this study, the chaotropic effect of reduced molybdate ions in acidified aqueous solution was shown to significantly amplify weak supramolecular interactions, leading to the formation of large aggregates of molybdenum-blue oligomeric species and gamma-cyclodextrin. Time-resolved Small Angle X-ray Scattering (SAXS) analysis revealed the rapid formation of nanoscopic {Mo-154}-based host-guest species, while X-ray diffraction analysis showed the formation of an unprecedented three-component well-ordered core-shell-like motif. This work provides insights into self-assembly processes and offers new opportunities for designing complex multicomponent materials through non-covalent chemistry simplicity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Polymer Science
Hao Yao, Jing-xia Wang, Wei Tian
Summary: Supramolecular topological polymers combine the dynamic and tunable characteristics of non-covalent bonds with the unique properties of covalent topological polymers, providing new ideas for the creation of novel polymer species and functional materials. They demonstrate reversible, adaptive, self-healing, and stimuli-responsiveness features, with potential applications in biomedical, photoelectric, and self-healing materials fields.
ACTA POLYMERICA SINICA
(2021)
Article
Chemistry, Physical
Xuetong Li, Alba Villar-Yanez, Charlene Ngassam Tounzoua, Jordi Benet-Buchholz, Bruno Grignard, Carles Bo, Christophe Detrembleur, Arjan W. Kleij
Summary: We have developed a silver-catalyzed cascade conversion method for the selective formation of keto-functionalized cyclic carbonates using modular alkyne-1,n-diols and carbon dioxide. This method is characterized by its operational simplicity, excellent scope of carbonate-based heterocycles, and mild reaction conditions.
Article
Chemistry, Multidisciplinary
Guanyun Zhang, Fei Wang, Tal Tubul, Mark Baranov, Nitai Leffler, Alevtina Neyman, Josep M. Poblet, Ira A. Weinstock
Summary: This study demonstrates the use of molecular complexation as a method to utilize electron-dense polyoxoniobate anions as nucleophilic photocatalysts for solar-light driven activation and reduction of small molecules.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Biochemistry & Molecular Biology
Val Karavaeva, Filipa L. Sousa
Summary: In this study, a large-scale comparative genomic analysis was conducted to investigate the taxonomic distribution and phylogeny of succinate dehydrogenases and fumarate reductases. The findings suggest that structural classification and phylogeny are closely related for types C, D, and F, while types A, B, and E exhibit a more complex relationship, indicating the possibility of subgroup classification.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
(2023)
Article
Chemistry, Inorganic & Nuclear
Antonio Moreno-Vicente, Marc Alias-Rodriguez, Paul W. Dunk, Coen de Graaf, Josep M. Poblet, Antonio Rodriguez-Fortea
Summary: The smallest borafullerene U@C27B has been synthesized and detected as the most abundant species in the U@C2n-1B family using a laser vaporization cluster source. Density functional theory (DFT) calculations reveal that the U atom is located at the center of the cage and interacts with all its atoms in a similar way as a 28-hapto ligand. The spin density is distributed over the cage, indicating that U is formally U(vi), despite not being bonded to highly electronegative atoms like O, F, N or Cl. Overall, the synthesis of this exotic radical contributes to the understanding of the unique host-guest chemistry in endohedral metallofullerenes.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Inorganic & Nuclear
Rameswar Bhattacharjee, Ethan T. Hare, Pere Miro
Summary: This study provides a computational analysis of the structure, properties, and reactivity of two tetrameric zirconium and hafnium clusters, revealing their characteristic electronic structure and favored incorporation of zirconium into hafnium clusters. Additionally, the study indicates the thermodynamic favorability of incorporating up to four peroxide ligands, while the absence of rich peroxide species with three or more peroxides is attributed to their thermal degradation. The mechanism for peroxide incorporation involves partial dissociation of the cluster.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Shaoting Yang, Xinyi Zhou, Yajing Hu, Laura Abella, Yang-Rong Yao, Ping Peng, Qianyan Zhang, Antonio Rodriguez-Fortea, Josep M. Poblet, Fang-Fang Li
Summary: In this study, the reactions of M3N@Ih-C80 (M = Sc and Lu) with TBAOH in methanol solution were investigated in benzonitrile and dimethylformamide solvents. It was found that OH- ions selectively attacked the fullerene cage to form the M3N@C80--O- intermediate. The products were different in benzonitrile and dimethylformamide, with fullerooxazoline heterocyclic products synthesized in benzonitrile and an epoxide obtained in dimethylformamide. The preference for fullerooxazoline formation was explained by density functional theory calculations and plausible reaction mechanisms were proposed.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Antonio Moreno-Vicente, Yannick Rosello, Ning Chen, Luis Echegoyen, Paul W. Dunk, Antonio Rodriguez-Fortea, Coen de Graaf, Josep M. Poblet
Summary: Previous studies on diactinide endohedral metallofullerenes (EMFs) Th2@C80 and U2@C80 have shown that the formation of covalent bonds between U3+ ions is weaker compared to Th3+ ions. This study investigates the feasibility of covalent U-U bonds in smaller diuranium EMFs and finds that the formation of strong U(5f3)-U(5f3) triple bonds allows for incarceration of two U3+ ions inside the fullerene. It is observed that U-cage interactions hinder the observation of short U-U distances in larger diuranium endofullerenes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Daniel Andrade, Pedro Fonseca, Filipa Sousa, Manuel Gutierres
Summary: This study investigated the risk of valgus knee alignment movement on initial contact during landing in patients who underwent ACL reconstruction with a hamstring tendon autograft compared to those with a patellar tendon autograft and healthy individuals. Results showed that ACL reconstruction with a hamstring tendon autograft does not increase the risk of valgus knee alignment movement, but differences were found in various parameters between the reconstruction groups and healthy participants. Evaluating movement quality with a motion capture system and developing specialized rehabilitation programs may be necessary.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Inorganic & Nuclear
Qin Wang, Laura Abella, Yang-Rong Yao, Yingjing Yan, Daniel Torrens, Qingyu Meng, Shangfeng Yang, Josep M. Poblet, Antonio Rodriguez-Fortea, Ning Chen
Summary: The study investigates a novel EMF, U@C(s)(4)-C-82, and reveals its remarkable chemical properties. Unexpectedly, both nucleophilic and electrophilic reactions of U@C(s)(4)-C-82 occur on adjacent carbon atoms far from the metal, representing a rare example of chemical reactivity control via actinide-cage interaction.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Enric Petrus, Diego Garay-Ruiz, Markus Reiher, Carles Bo
Summary: In this study, a unique computational approach was used to successfully simulate the self-assembly processes of metal-oxide nanoclusters. By estimating activation energies and correcting pK (a) values, multi-time-scale kinetic simulations were conducted, reproducing reactions ranging from tens of femtoseconds to months of reaction time. Analysis of the kinetic data and reaction network topology revealed the details of the main reaction mechanisms, explaining the origin of kinetic and thermodynamic control. Simulations at alkaline pH fully reproduced experimental evidence as clusters did not form under those conditions.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Analytical
Goncalo Silva, Marcio Goethel, Leandro Machado, Filipa Sousa, Mario Jorge Costa, Pedro Magalhaes, Carlos Silva, Marta Midao, Andre Leite, Suse Couto, Ricardo Silva, Joao Paulo Vilas-Boas, Ricardo Jorge Fernandes
Summary: In this study, we investigated the acute recovery effects of using an intelligent sports legging embedded with an intelligent system for electrostimulation, localised heating, and compression. The results showed that the recovery methods provided by the sports legging did not effectively recover the torque values produced isometrically.
Article
Chemistry, Physical
Nataliya V. Maksimchuk, Jordi Puiggali-Jou, Olga V. Zalomaeva, Kirill P. Larionov, Vasilii Yu. Evtushok, Igor E. Soshnikov, Albert Sole-Daura, Oxana A. Kholdeeva, Josep M. Poblet, Jorge J. Carbo
Summary: This study thoroughly investigates the mechanism of hydrogen peroxide decomposition catalyzed by tungstate catalysts. The saturation behavior between catalyst concentration and hydrogen peroxide concentration was discovered, as well as the reaction pathway involving dimeric tungstate species releasing active oxygen. Rating: 9 points.
Article
Chemistry, Multidisciplinary
Dominic Shiels, Magda Pascual-Borras, Paul G. Waddell, Corinne Wills, Josep-Maria Poblet, R. John Errington
Summary: A novel isopolyoxotungstate has been identified after 30 years since its initial spectroscopic evidence. The heptatungstate [W7O24H](5-) features a stable structure with a fused {W-5} lacunary Lindqvist unit and a ditungstate fragment, being the third isopolytungstate obtained from non-aqueous systems.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Nanako Tamai, Naoki Ogiwara, Eri Hayashi, Keigo Kamata, Toshiyuki Misawa, Takeru Ito, Tatsuhiro Kojima, Mireia Segado, Enric Petrus, Carles Bo, Sayaka Uchida
Summary: Cation-uptake has been extensively studied in materials science. In this study, the researchers focused on a molecular crystal composed of a charge-neutral polyoxometalate (POM) capsule and discovered the occurrence of cation-coupled electron-transfer reaction. The findings reveal the significance of the POM capsule in cation uptake.
Article
Chemistry, Multidisciplinary
Liliana Pinho, Andreia S. P. Sousa, Claudia Silva, Christine Cunha, Rubim Santos, Joao Manuel R. S. Tavares, Soraia Pereira, Ana Rita Pinheiro, Jose Felix, Francisco Pinho, Filipa Sousa, Augusta Silva
Summary: This study aims to analyze the coactivation of antagonist muscles in the thigh and ankle in post-stroke subjects during the sit-to-stand task. The results show that the coactivation of ankle joint muscles in post-stroke subjects is more dysfunctional, indicating that the distal segment may more accurately reflect central nervous system dysfunction in post-stroke subjects.
APPLIED SCIENCES-BASEL
(2023)
