Article
Chemistry, Physical
Yusuf Bramastya Apriliyanto, Stefano Battaglia, Stefano Evangelisti, Noelia Faginas-Lago, Thierry Leininger, Andrea Lombardi
Summary: In this study, a generalized Huckel rule for predicting the ground state of carbon nanocones named graphannulenes was proposed. This rule applies to a wide range of flat and curved structures, including those that do not follow the classic 4n + 2 rule. Computational tests support the validity of the proposed rule.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Geochemistry & Geophysics
Shiyao Wang, Tianxing Wang, Wanchun Leng, Gaofeng Wang, Husi Letu
Summary: Surface longwave downward radiation (LWDR) plays a crucial role in modulating greenhouse effect and climate change. However, the current LWDR products vary in terms of spatiotemporal resolutions and accuracy. To address this, a fusion strategy using downscaling and machine learning is proposed to generate a more accurate and high-resolution global LWDR dataset.
IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING
(2022)
Article
Chemistry, Multidisciplinary
Shaofei Wu, Yong Ni, Yi Han, Xudong Hou, Congyong Wang, Wenping Hu, Jishan Wu
Summary: In this study, a facilely synthesized molecular cage containing bridged triphenylamine units and quinoidal bithiophene arms was examined. The results demonstrated different aromatic properties of the cage in different oxidation states, providing further insight into the relationship between 2D Hückel/Baird aromaticity and 3D global π-aromaticity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Iman Zojaji, Ali Esfandiarian, Jaber Taheri-Shakib
Summary: This study delves into the detailed analysis of asphaltene using Fourier-transform infrared spectroscopy, examining the structure and properties of asphaltene molecules, exploring the subfractions of asphaltene and their interactions with chemicals.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2021)
Article
Psychology, Developmental
Laura L. Corona, Liliana Wagner, Joshua Wade, Amy S. Weitlauf, Jeffrey Hine, Amy Nicholson, Caitlin Stone, Alison Vehorn, Zachary Warren
Summary: The study uses computational methods and clinical expertise to identify key features predictive of ASD in young children from comprehensive diagnostic evaluations. Expert clinicians then design assessment activities based on these predictive features for observing core behaviors, leading to novel approaches to ASD identification.
JOURNAL OF AUTISM AND DEVELOPMENTAL DISORDERS
(2021)
Article
Chemistry, Multidisciplinary
Bowei Yuan, Zizhuang Liu, Xiao-Nan Wu, Shaodong Zhou
Summary: The gas-phase reactions of [IrC4H2](+) with methane and water were studied, showing that different isomers of [IrC4H2](+) have different reactivities under different coordination patterns. One isomer activates methane while the other reacts only with water to produce CO. These findings not only provide insights into the role of Ir atom in bulk-system methane conversion, but also offer guidance for constructing high-performance centers for steam reforming of methane.
SCIENCE CHINA-CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Joseph Yount, Matthias Zeller, Edward F. C. Byrd, Davin G. Piercey
Summary: The novel energetic material DNDAABT was synthesized via mixed acid nitration of electrochemically generated TAABT, with various energetic salts also prepared and characterized. Despite predictions of low sensitivities, DNDAABT and its salts showed primary explosive sensitivities with relatively high thermal stabilities for primary N-nitramines.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Yi Chen, Sheng-Ming Tseng, Kai-Hsin Chang, Pi-Tai Chou
Summary: In contrast to most photoinduced structural planarization processes, a new class of PISP molecules PTBAs exhibit thermally reversible PISP due to energy counterbalance effect, providing a practical strategy for harnessing excited-state structural relaxation.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Multidisciplinary
Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S. Smith, Benjamin Nebgen, Richard Messerly, Ying Wai Li, Alexander Boldyrev, Kipton Barros, Olexandr Isayev, Sergei Tretiak
Summary: Machine learning is becoming the preferred method for modeling complex chemical processes and materials. It provides a surrogate model trained on reference data to establish a relationship between molecular structures and chemical properties. This Review highlights the developments in using machine learning to evaluate chemical properties and obtain simplified quantum-mechanical descriptions, as well as the challenges and future outlook in this field.
NATURE REVIEWS CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Bo Yang, Suqiong Yan, Chengbo Li, Hui Ma, Fanda Feng, Yuan Zhang, Wei Huang
Summary: This study presents Mn(III)-mediated C-P bond activation and intramolecular cyclization of diphosphines, generating phosphahelicene cations or phosphoniums with nice regioselectivity and substrate universality. The unusual radical mechanism and electron-deficient character of novel phosphahelicenes were revealed, leading to versatile fluorescence with good tunability and excellent efficiency. Enantiomerically enriched crystals of phosphahelicenes emitted intense circularly polarized luminescence, with racemic phosphahelicenes showing modulated CPL induced by chiral transmission in the cholesteric mesophase.
Article
Engineering, Environmental
Tianjiang Sun, Weijia Zhang, Qingshun Nian, Zhanliang Tao
Summary: The developed PTO-4NH2Ph polymer exhibits good cycling stability and high discharge capacity in aqueous zinc ion batteries, thanks to the introduced pi-conjugated amino groups and extended aromatic plane. Furthermore, the polymer also improves its performance by achieving dominated proton insertion from weakly acidic zinc electrolyte.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Nikolay V. Tkachenko, Alvaro Munoz-Castro, Alexander I. Boldyrev
Summary: The study on the chemical bonding of metallabenzenes and metallabenzynes revealed a unique bonding pattern that complies with Huckel's aromaticity rule. Two thermodynamically stable novel molecules were proposed, showing doubly aromatic properties.
Article
Polymer Science
Ming Li, Xuelun Duan, Yu Jiang, Xinhao Sun, Xiang Xu, Yubin Zheng, Wangze Song, Nan Zheng
Summary: Alkyne-azide cycloaddition (AAC) is a widely used reaction in polymer and materials sciences. The challenge of modifying polytriazoles with inert functional groups has been solved by developing a multicomponent polymerization (MCP) using diynes, diazides, and electrophiles. The MCP method allows for the synthesis of 1,4,5-trisubstituted polytriazoles (1,4,5-PTAs) with high yields and molecular weights. By optimizing the ratio of functionalized PTAs to non-functionalized PTAs, the solubility of the obtained products was improved. The resulting nanoparticles can act as nanocatalysts in the AAC reaction with excellent catalytic efficiency.
Editorial Material
Chemistry, Multidisciplinary
Birgit Esser, Mathias Hermann
Summary: Through strategic structural modifications and mastering challenging multi-step syntheses, the first two examples of zigzag carbon nanobelts have been successfully reported after 35 years of elusive targets for synthetic chemists.
Article
Computer Science, Information Systems
Yan Chen, Xibei Yang, Jinhai Li, Pingxin Wang, Yuhua Qian
Summary: In the fields of rough set and machine learning, attribute reduction has been proven effective in removing redundant attributes with clear explanations. Existing solutions only accelerate the process of searching reduct from one perspective, thus the efficiency can be further improved by fusion view. Through experiments, our framework has shown significant advantages over other accelerators.
INFORMATION SCIENCES
(2022)
Review
Chemistry, Multidisciplinary
Yong Yang, Michal Juricek
Summary: Carbon-nanohoop structures can function as supramolecular hosts for spherical fullerenes, potentially forming organic semiconductors in the solid state. However, the lack of control over the long-range order of encapsulated fullerenes limits their potential as organic semiconductors. Some studies have shown that nanohoop-fullerene complexes may form discrete supramolecular wires, which could be promising for electronic device applications.
Article
Pharmacology & Pharmacy
Jyoti Kumari, Tirza Wubs, Arjan P. M. van Caam, Daphne N. Dorst, Frank A. D. T. G. Wagener, Paul H. J. Kouwer
Summary: This study describes an in vitro 3D culture system using biocompatible polyisocyanide hydrogel and systemic sclerosis patient-derived fibroblasts. The system maintains the native phenotype and functionality of the primary cells and can be used to study fibrosis process.
ADVANCED THERAPEUTICS
(2023)
Editorial Material
Chemistry, Organic
Michal Juricek, Marcel Mayor
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Hongbo Yuan, Kaizheng Liu, Mar Condor, Jorge Barrasa-Fano, Boris Louis, Johannes Vandaele, Paula de Almeida, Quinten Coucke, Wen Chen, Egbert Oosterwijk, Chengfen Xing, Hans Van Oosterwyck, Paul H. J. Kouwer, Susana Rocha
Summary: Cells sense external forces from the extracellular matrix (ECM) and generate contractile forces to stiffen and remodel the matrix. However, the underlying mechanisms of this bidirectional mechanical exchange are still poorly understood. This study uses a synthetic hydrogel based on polyisocyanide (PIC) polymers to investigate cell-matrix interactions and demonstrates the potential of PIC gels in studying mechanobiology and designing materials.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Review
Cell & Tissue Engineering
Melissa J. J. van Velthoven, Aksel N. Gudde, Frederique Struijs, Egbert Oosterwijk, Jan-Paul Roovers, Zeliha Guler, Carlijn R. Hooijmans, Paul H. J. Kouwer
Summary: Growth factors, especially basic fibroblast growth factor, promote vaginal wound healing in vitro, but the effects are less prominent in vivo. More research is needed to improve surgical outcomes for pelvic organ prolapse, including improved preclinical models.
TISSUE ENGINEERING PART B-REVIEWS
(2023)
Article
Chemistry, Multidisciplinary
Elia Turco, Annika Bernhardt, Nils Krane, Leos Valenta, Roman Fasel, Michal Juricek, Pascal Ruffieux
Summary: We report the first synthesis of unsubstituted phenalenyl on a Au(111) surface, which is achieved by combining in-solution synthesis of the hydro-precursor and on-surface activation by atomic manipulation. Single-molecule structural and electronic characterizations confirm its open-shell S = 1/2 ground state that gives rise to Kondo screening on the Au(111) surface. These magnetic nanographenes can serve as building blocks for the realization of new exotic quantum phases of matter.
Article
Chemistry, Multidisciplinary
N. Krane, E. Turco, A. Bernhardt, D. Jacob, G. Gandus, D. Passerone, M. Luisier, M. Juricek, R. Fasel, J. Fernandez-Rossier, P. Ruffieux
Summary: In this study, we report the successful synthesis of Phenalenyl dimer through a combination of in-solution synthesis and on-surface activation, and characterize its properties using inelastic electron tunneling spectroscopy (IETS). The results show significant renormalization of Phenalenyl due to exchange with Au(111) electrons and explain the position-dependent bias asymmetry and activation of kinetic interphenalenyl exchange. This study paves the way for the bottom-up synthesis of S = 1/2 spin-lattices with large exchange interactions.
Article
Engineering, Biomedical
Melissa J. J. van Velthoven, Aksel N. Gudde, Evert Arendsen, Jan-Paul Roovers, Zeliha Guler, Egbert Oosterwijk, Paul H. J. Kouwer
Summary: With its involvement in cell proliferation, migration and differentiation, bFGF has potential for tissue engineering purposes. However, clinical translation of soluble bFGF-based therapies is unsuccessful due to high doses and adverse effects. Growth factor immobilization, such as in PIC-bFGF hydrogel, can enhance bioactivity. This study demonstrates the potential of simple biological conjugation procedures to induce additional bioactivity in synthetic cell culture matrices.
ADVANCED HEALTHCARE MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Aksel N. Gudde, Melissa J. J. van Velthoven, Betul Turkel, Paul H. J. Kouwer, Jan-Paul W. R. Roovers, Zeliha Guler
Summary: This study investigates the effect of substrate stiffness on vaginal fibroblast functions related to connective tissue healing in prolapse repair. The findings show that increasing stiffness promotes collagen deposition and inhibits gel contraction, suggesting a direct influence of matrix stiffness on vaginal fibroblast functionality. This study encourages future research in the use of PIC gels as a supplement in prolapse surgery, considering the hydrogel stiffness.
ACS APPLIED BIO MATERIALS
(2023)
Article
Pharmacology & Pharmacy
Melissa J. J. van Velthoven, Aksel N. Gudde, Hilde Enting, Roel Hammink, Jan-Paul Roovers, Zeliha Guler, Egbert Oosterwijk, Paul H. J. Kouwer
Summary: This study investigated a method of covalently conjugating β-estradiol to a polyisocyanide-based hydrogel and found that it could upregulate extracellular matrix genes in adipose-derived stem cells. Additionally, compared to other E2-releasing biomaterials, this method required a lower dosage and may potentially improve the outcomes of pelvic organ prolapse surgery in the future.
ADVANCED THERAPEUTICS
(2023)
Article
Chemistry, Multidisciplinary
Daniel Cavlovic, Olivier Blacque, Ivo Krummenacher, Holger Braunschweig, Prince Ravat, Michal Juricek
Summary: Dimethylnonacethrene is a more stable derivative of the cethrene family compared to its electrocyclic ring closure product. It displays EPR activity and remarkable stability, attributed to a lowered singlet-triplet gap. The study suggests that modifying the steric bulk in the fjord region enables the development of diradicaloid-based magnetic photoswitches.
CHEMICAL COMMUNICATIONS
(2023)
Article
Materials Science, Biomaterials
Jyoti Kumari, Roel Hammink, Jochem Baaij, Frank A. D. T. G. Wagener, Paul H. J. Kouwer
Summary: Fibrosis is the formation of fibrous connective tissue in response to injury, leading to organ dysfunction. A novel hybrid hydrogel combining synthetic polyisocyanide with hyaluronic acid has been developed, showing strong antifibrotic properties.
BIOMATERIALS ADVANCES
(2024)
Article
Chemistry, Multidisciplinary
Yannik Appiarius, Sandra Miguez-Lago, Pim Puylaert, Noah Wolf, Sourabh Kumar, Martin Molkenthin, Delia Miguel, Tim Neudecker, Michal Juriek, Araceli G. Campana, Anne Staubitz
Summary: The incorporation of boron-nitrogen units into polycyclic aromatic hydrocarbons improves their optical properties while retaining their geometries. The study found that helicenes with boron-nitrogen groups exhibited higher fluorescence quantum yield and outstanding luminescence dissymmetry, making them suitable candidates for circularly polarized luminescence emitters in materials science.
Meeting Abstract
Cell & Tissue Engineering
Aksel Nils Gudde, Melissa Jacoba Johanna Van Velthoven, Paul Herco Jaroslav Kouwer, Jan Paul Waltherus Rudolphus Roovers, Zeliha Guler
TISSUE ENGINEERING PART A
(2023)
Meeting Abstract
Cell & Tissue Engineering
Melissa J. J. van Velthoven, Malou van Loon, Lissy Rasing, Aksel N. Gudde, Frank A. D. T. G. Wagener, Jan Paul Roovers, Zeliha Guler, Paul H. J. Kouwer
TISSUE ENGINEERING PART A
(2023)
