jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuanyu Wang | Zhihao Yu | Jian Xiong | Kai Yan | Xuebin Lu
Source: Advanced Functional Materials (article, 2024-07-07)
Field: Materials Science — Materials Chemistry

Temperature‐Responsive Polyoxometalates‐Based Materials: From Underlying Mechanism to Promising Applications Abstract Polyoxometalates (POMs) are multifunctional anionic metal‐oxygen complexes with structural and electronic diversity, as well as tunable acid‐base and redox properties, resulting in their potential as building blocks for constructing temperature‐responsive polyoxometalates‐based materials (TRPMs). TRPMs represent a class of intelligent materials exhibiting property changes in response to temperature fluctuations, offering distinctive applications in various fields such as catalysis, medicine, sensors, imaging, and so on. Though many TRPMs are reported, a systematic review including recent advances is still absent. This review provides insights into recent advancements in temperature‐responsive mechanisms, nanostructure design strategies, and the characterization of TRPMs. Special emphasis is placed on enhancing the temperature‐responsive properties of TRPMs by incorporating POMs into suitable organic ligands, such as ionic liquid cations, deep eutectic solvent cations, cationic surfactants, and polymers. The incorporation of organic ligands with POMs not only enables temperature‐responsive phase transitions but also enhances other properties, such as catalyst selectivity and drug loading capacity, expanding TRPMs applications. Consequently, this review summarizes the applications of TRPMs in catalysis, drug delivery and release, and chemical sensing, as well as discusses future technological challenges. The in‐depth understanding of TRPMs may help in the design of TRPMs from the nanoscale, guiding and inspiring future development. Materials science ; Mechanism (biology) ; Nanotechnology Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Reactions
Authors: Nobuaki Oyamada | Hiro Minamimoto | Tomohiro Fukushima | Ruifeng Zhou | Kei Murakoshi
Source: Bulletin of the Chemical Society of Japan (article, 2024-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Beyond single-molecule chemistry for electrified interfaces using molecule polaritons Abstract This review introduces the preparation, observation, and characterization of systems of molecule polaritons. We summarize recent progress by our group on the control of molecular properties in the spaces of various optical cavities, such as plasmonic metal nanostructures and Fabry–Perot mirrors. After stating our motivations, we introduce topics on single-molecule observations based on surface-enhanced Raman scattering (SERS) spectroscopy. Our original findings are not limited to the ultrasensitive detection of molecules/materials, but include unique resonant enhancements of SERS through exotic electronic excitation processes at electrified interfaces. Comprehensive analyses of SERS spectra provide novel routes to electronic excitation using plasmonic metal nanostructures. This behavior leads to the distinct photoenergy conversion based on excited electrons and holes with anomalous electrochemical potentials. Such unique resonant electronic excitation emerges as a large optical force that can be used to manipulate small single molecules on surfaces in solution, even at room temperature. We also introduce systems for examining unique interactions between molecules and the optical modes of cavities, from single molecules to molecular ensembles. Plasmonic surface lattices and Fabry–Perot mirrors allow the formation of electronic and vibrational strong coupling states, respectively, showing unique properties of molecule polaritons, even under dark conditions, i.e. without photoillumination. Chemistry ; Plasmon ; Molecule ; Excitation ; Polariton ; Excited state ; Raman scattering ; Nanostructure ; Chemical physics ; Nanotechnology ; Raman spectroscopy ; Optoelectronics ; Atomic physics ; Physics ; Materials science ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Strong Light-Matter Interactions
Authors: Maciej J. Głowacki | Katarzyna Karpieńko | Maciej S. Wróbel | Karol Szczodrowski | Chiara Giosué | G. Barucca | Maria Letizia Ruello | Robert Bogdanowicz | Mattia Pierpaoli
Source: Sustainable materials and technologies (article, 2024-04-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

From ashes to porous hierarchical nanocarbon electrode: Upcycling secondary waste materials through self-catalytic chemical vapour deposition Metal and metal oxide particles are abundant in various ash-based wastes. Utilising these as catalyst sources for the fabrication of carbon nanomaterials could present a valuable approach to reduce our reliance on non-renewable and costly catalyst sources, thereby facilitating large-scale nanomaterial production. In this context, secondary waste materials (SWMs) are by-products resulting from the (complete or partial) combustion of carbon-rich sources or other industrial processes and their disposal poses a serious environmental problem. In this study, we demonstrate a novel strategy to upcycle SWMs as catalysts, as received, for the growth of carbon nanoarchitectured electrodes through microwave plasma-enhanced chemical vapour deposition (MPECVD), without the need for functionalisation. Firstly, 10 SWMs were selected to fabricate porous hierarchical nanocarbon (PHN) electrodes by phase-inversion and subsequent catalytic MPECVD growth. Secondly, distinct growth conditions, both in the presence and absence of CH4 as an external carbon source were applied, resulting in conductive electrodes, on which acetaminophen oxidation was performed. Results show that not all SWMs, despite originating from similar processes, work as a catalyst. In particular, principal component analysis suggests the presence of calcium oxosilicate and calcium‑magnesium‑iron carbonate as potential catalysts, which are present in two SWMs. Contrary to what might be expected, the occurrence of metals, such as Fe, Ni, is not a sufficient factor for the catalytic growth of carbon nanostructures. Interestingly, water vapour adsorption isotherms suggest the formation of different porous networks according to the specific SWMs. Finally, the development of waste-derived catalysts fosters the concept of upcycling, converting waste into higher-value products, thus closing the loop on resource utilisation and minimising waste generation. Catalysis ; Carbon fibers ; Materials science ; Chemical engineering ; Adsorption ; Waste management ; Chemistry ; Composite material ; Organic chemistry ; Composite number Supercapacitor Materials and Fabrication ; Covalent Organic Framework Applications ; Carbon and Quantum Dots Applications
Authors: Hau Sun Sam Chan | Yilin Lu | Jin‐Quan Yu
Source: Nature Synthesis (article, 2024-04-11)
Field: Chemistry — Organic Chemistry

Palladium-catalysed methylene C(sp3)–H lactamization and cycloamination enabled by chlorinated pyridine–pyridone ligands Chemistry ; Pyridine ; Amination ; Palladium ; Intramolecular force ; Bifunctional ; Medicinal chemistry ; Methylene ; Pyrrolidine ; Combinatorial chemistry ; Catalysis ; Stereochemistry ; Organic chemistry Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Advanced Synthetic Organic Chemistry
Authors: Minghao Wang | Jiawei Jiang | Shuofeng Liang | Cong Sui | Si Wu
Source: Macromolecular Rapid Communications (review, 2024-08-30)
Field: Materials Science — Polymers and Plastics

Functional Semi‐Interpenetrating Polymer Networks Semi-interpenetrating polymer networks (SIPNs) have garnered significant interest due to their potential applications in self-healing materials, drug delivery systems, electrolytes, functional membranes, smart gels and, toughing. SIPNs combine the characteristics of physical cross-linking with advantageous chemical properties, offering broad application prospects in materials science and engineering. This perspective introduces the history of semi-interpenetrating polymer networks and their diverse applications. Additionally, the ongoing challenges associated with traditional semi-interpenetrating polymer materials are discussed and provide an outlook on future advancements in novel functional SIPNs. Polymer science ; Polymer ; Interpenetrating polymer network ; Materials science ; Polymer chemistry ; Composite material Polymer composites and self-healing ; Advanced Polymer Synthesis and Characterization ; Conducting polymers and applications
Authors: Irina Neguț | Bogdan Biță
Source: Pharmaceutics (article, 2024-03-26)
Field: Chemistry — Organic Chemistry

Polymersomes as Innovative, Stimuli-Responsive Platforms for Cancer Therapy This review addresses the urgent need for more targeted and less toxic cancer treatments by exploring the potential of multi-responsive polymersomes. These advanced nanocarriers are engineered to deliver drugs precisely to tumor sites by responding to specific stimuli such as pH, temperature, light, hypoxia, and redox conditions, thereby minimizing the side effects associated with traditional chemotherapy. We discuss the design, synthesis, and recent applications of polymersomes, emphasizing their ability to improve therapeutic outcomes through controlled drug release and targeted delivery. Moreover, we highlight the critical areas for future research, including the optimization of polymersome-biological interactions and biocompatibility, to facilitate their clinical adoption. Multi-responsive polymersomes emerge as a promising development in nanomedicine, offering a pathway to safer and more effective cancer treatments. Polymersome ; Cancer therapy ; Cancer ; Nanotechnology ; Chemistry ; Medicine ; Materials science ; Internal medicine Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery ; Click Chemistry and Applications
Authors: Nourhan Hassan | Thomas Krieg | Alexander Kopp | Alexander D. Bach | Nadja Kröger
Source: International Journal of Molecular Sciences (article, 2024-06-05)
Field: Materials Science — Biomaterials

Challenges and Pitfalls of Research Designs Involving Magnesium-Based Biomaterials: An Overview Magnesium-based biomaterials hold remarkable promise for various clinical applications, offering advantages such as reduced stress-shielding and enhanced bone strengthening and vascular remodeling compared to traditional materials. However, ensuring the quality of preclinical research is crucial for the development of these implants. To achieve implant success, an understanding of the cellular responses post-implantation, proper model selection, and good study design are crucial. There are several challenges to reaching a safe and effective translation of laboratory findings into clinical practice. The utilization of Mg-based biomedical devices eliminates the need for biomaterial removal surgery post-healing and mitigates adverse effects associated with permanent biomaterial implantation. However, the high corrosion rate of Mg-based implants poses challenges such as unexpected degradation, structural failure, hydrogen evolution, alkalization, and cytotoxicity. The biocompatibility and degradability of materials based on magnesium have been studied by many researchers in vitro; however, evaluations addressing the impact of the material in vivo still need to be improved. Several animal models, including rats, rabbits, dogs, and pigs, have been explored to assess the potential of magnesium-based materials. Moreover, strategies such as alloying and coating have been identified to enhance the degradation rate of magnesium-based materials in vivo to transform these challenges into opportunities. This review aims to explore the utilization of Mg implants across various biomedical applications within cellular (in vitro) and animal (in vivo) models. Biomaterial ; Biocompatibility ; Magnesium ; In vivo ; Biomedical engineering ; Materials science ; Nanotechnology ; Medicine ; Biotechnology ; Biology ; Metallurgy Magnesium Alloys: Properties and Applications ; Bone Tissue Engineering Materials ; Aluminum Alloys Composites Properties
Authors: Xinxin Xing | Zhezhe Wang | Yude Wang
Source: Micromachines (review, 2024-02-28)
Field: Materials Science — Materials Chemistry

Advances in Carbon Dot-Based Ratiometric Fluorescent Probes for Environmental Contaminant Detection: A Review Detecting environmental contaminants is crucial for protecting ecosystems and human health. While traditional carbon dot (CD) fluorescent probes are versatile, they may suffer from limitations like fluctuations in signal intensity, leading to detection inaccuracies. In contrast, ratiometric fluorescent probes, designed with internal self-calibration mechanisms, offer enhanced sensitivity and reliability. This review focuses on the design and applications of ratiometric fluorescent probes based on CDs for environmental monitoring. Our discussion covers construction strategies, ratiometric fluorescence principles, and applications in detecting various environmental contaminants, including organic pollutants, heavy metal ions, and other substances. We also explore associated advantages and challenges and provide insights into potential solutions and future research directions. Fluorescence ; Nanotechnology ; Human health ; Pollutant ; Carbon fibers ; Environmental monitoring ; Reliability (semiconductor) ; Environmental science ; Chemistry ; Materials science ; Environmental engineering ; Physics Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Sanjoy Adak | Naike Ye | Logan A Calderone | Meng Duan | Wilson Lubeck | Rebecca J. B. Schäfer | April L. Lukowski | K. N. Houk | Maria‐Eirini Pandelia | Catherine L. Drennan | Bradley S. Moore
Source: Nature Chemistry (article, 2024-09-16)
Field: Chemistry — Inorganic Chemistry

A single diiron enzyme catalyses the oxidative rearrangement of tryptophan to indole nitrile Nitriles are uncommon in nature and are typically constructed from oximes through the oxidative decarboxylation of amino acid substrates or from the derivatization of carboxylic acids. Here we report a third nitrile biosynthesis strategy featuring the cyanobacterial nitrile synthase AetD. During the biosynthesis of the eagle-killing neurotoxin, aetokthonotoxin, AetD transforms the 2-aminopropionate portion of 5,7-dibromo-L-tryptophan to a nitrile. Employing a combination of structural, biochemical and biophysical techniques, we characterized AetD as a non-haem diiron enzyme that belongs to the emerging haem-oxygenase-like dimetal oxidase superfamily. High-resolution crystal structures of AetD together with the identification of catalytically relevant products provide mechanistic insights into how AetD affords this unique transformation, which we propose proceeds via an aziridine intermediate. Our work presents a unique template for nitrile biogenesis and portrays a substrate binding and metallocofactor assembly mechanism that may be shared among other haem-oxygenase-like dimetal oxidase enzymes. Chemistry ; Indole test ; Nitrile ; Tryptophan ; Oxidative phosphorylation ; Enzyme ; Oxidative enzyme ; Stereochemistry ; Combinatorial chemistry ; Organic chemistry ; Biochemistry ; Amino acid Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin and Phthalocyanine Chemistry ; Oxidative Organic Chemistry Reactions
Authors: Cornelia G. Palivan | Lukas Heuberger | Jens Gaitzsch | Brigitte Voit | Dietmar Appelhans | Bárbara Borges-Fernandes | Giuseppe Battaglia | Jianzhong Du | Loai K. E. A. Abdelmohsen | Jan C. M. van Hest | Jinming Hu | Shiyong Liu | Zhiyuan Zhong | Huanli Sun | Angela Mutschler | Sébastien Lecommandoux
Source: Biomacromolecules (review, 2024-08-28)
Field: Materials Science — Biomaterials

Advancing Artificial Cells with Functional Compartmentalized Polymeric Systems - In Honor of Wolfgang Meier The fundamental building block of living organisms is the cell, which is the universal biological base of all living entities. This micrometric mass of cytoplasm and the membrane border have fascinated scientists due to the highly complex and multicompartmentalized structure. This specific organization enables numerous metabolic reactions to occur simultaneously and in segregated spaces, without disturbing each other, but with a promotion of inter- and intracellular communication of biomolecules. At present, artificial nano- and microcompartments, whether as single components or self-organized in multicompartment architectures, hold significant value in the study of life development and advanced functional materials and in the fabrication of molecular devices for medical applications. These artificial compartments also possess the properties to encapsulate, protect, and control the release of bio(macro)molecules through selective transport processes, and they are capable of embedding or being connected with other types of compartments. The self-assembly mechanism of specific synthetic compartments and thus the fabrication of a simulated organelle membrane are some of the major aspects to gain insight. Considerable efforts have now been devoted to design various nano- and microcompartments and understand their functionality for precise control over properties. Of particular interest is the use of polymeric vesicles for communication in synthetic cells and colloidal systems to reinitiate chemical and biological communication and thus close the gap toward biological functions. Multicompartment systems can now be effectively created with a high level of hierarchical control. In this way, these structures can not only be explored to deepen our understanding of the functional organization of living cells, but also pave the way for many more exciting developments in the biomedical field. Artificial cell ; Protocell ; Nanotechnology ; Living systems ; Synthetic biology ; Computer science ; Chemistry ; Membrane ; Computational biology ; Biology ; Materials science ; Artificial intelligence Supramolecular Self-Assembly in Materials ; Supramolecular Chemistry and Complexes ; Lipid Membrane Structure and Behavior
Authors: Steffen Murke | Wanlin Chen | Simone Pezzotti | Martina Havenith
Source: Journal of the American Chemical Society (article, 2024-04-10)
Field: Chemistry — Electrochemistry

Tuning Acid–Base Chemistry at an Electrified Gold/Water Interface Acid-base reactions are ubiquitous in solution chemistry, as well as in electrochemistry. However, macroscopic concepts derived in solutions, such as p<i>K</i><sub>a</sub> and pH, differ significantly at electrified metal-aqueous interfaces due to specific solvation and applied voltage. Here, we measure the p<i>K</i><sub>a</sub> values of an amino acid, glycine, at a gold/water interface under a varying applied voltage by means of spectroscopic titration. With the help of simulations, we propose a general model to understand potential-dependent shifts in p<i>K</i><sub>a</sub> values in terms of local hydrophobicity and electric fields. These parameters can be tuned by adjusting the metal surface and applied voltage, respectively, offering promising, but still unexplored, paths to regulate reactivity. Our results change the focus with respect to common interpretations based on, for example, apparent local pH effects and open interesting perspectives for electrochemical reaction steering. Chemistry ; Solvation ; Electrochemistry ; Aqueous solution ; Titration ; Acid–base titration ; Reactivity (psychology) ; Base (topology) ; Voltage ; Glycine ; Metal ; Chemical physics ; Inorganic chemistry ; Molecule ; Physical chemistry ; Amino acid ; Electrode ; Organic chemistry Electrochemical Analysis and Applications ; Electrocatalysts for Energy Conversion ; Molecular Junctions and Nanostructures
Authors: Maria Luisa Verteramo | Majda Misini Ignjatović | Rohit Kumar | Sven Wernersson | Vilhelm Ekberg | Johan Wallerstein | Göran Carlström | Veronika Chadimová | Hakon Leffler | Fredrik R. Zetterberg | Derek T. Logan | Ulf Ryde | Mikael Akke | Ulf J. Nilsson
Source: iScience (article, 2024-03-29)
Field: Chemistry — Physical and Theoretical Chemistry

Interplay of halogen bonding and solvation in protein–ligand binding Halogen bonding is increasingly utilized in efforts to achieve high affinity and selectivity of molecules designed to bind proteins, making it paramount to understand the relationship between structure, dynamics, and thermodynamic driving forces. We present a detailed analysis addressing this problem using a series of protein-ligand complexes involving single halogen substitutions - F, Cl, Br, and I - and nearly identical structures. Isothermal titration calorimetry reveals an increasingly favorable binding enthalpy from F to I that correlates with the halogen size and σ-hole electropositive character, but is partially counteracted by unfavorable entropy, which is constant from F to Cl and Br, but worse for I. Consequently, the binding free energy is roughly equal for Cl, Br, and I. QM and solvation-free-energy calculations reflect an intricate balance between halogen bonding, hydrogen bonds, and solvation. These advances have the potential to aid future drug design initiatives involving halogenated compounds. Solvation ; Isothermal titration calorimetry ; Halogen bond ; Chemistry ; Enthalpy ; Implicit solvation ; Halogen ; Hydrogen bond ; Molecule ; Computational chemistry ; Ligand (biochemistry) ; Binding energy ; Supramolecular chemistry ; Crystallography ; Physical chemistry ; Chemical physics ; Thermodynamics ; Organic chemistry Crystallography and molecular interactions ; Computational Drug Discovery Methods ; Protein Structure and Dynamics
Authors: Lorenzo Bonetti | Daniele Natali | Stefano Pandini | Massimo Messori | Maurizio Toselli | Giulia Scalet
Source: Materials & Design (article, 2024-02-01)
Field: Materials Science — Polymers and Plastics

4D printing of semi-crystalline crosslinked polymer networks with two-way shape-memory effect This paper introduces a novel approach to 4D printing tailored structures with reversible two-way shape memory effect (SME) through material extrusion technology. To this aim, methacrylated poly(ε-caprolactone) (PCL) was synthesized and evaluated from a rheological perspective to determine its suitability for extrusion-based printing. Following a printability assessment, an optimal set of parameters was identified to fabricate 3D structures, UV-crosslinked during printing. Subsequently, a physical and thermo-mechanical characterization of the printed structures was conducted to deepen the understanding of the fabrication process and properties of the obtained structures. To assess the shape memory properties of the printed structures, both the one-way and two-way SME under load were investigated. Overall, this study opens the floodgates to implementing 4D printing via material extrusion technology, specifically targeting PCL-based semi-crystalline chemically crosslinked polymer networks with two-way SME. Because of its cost-effectiveness, versatility, and user-friendly nature, extrusion-based printing offers noteworthy advantages over other additive manufacturing approaches when reversible behavior of the printed structures is needed. Lastly, a glimpse of potential 4D printed structures from PCL-based semi-crystalline chemically crosslinked polymer networks is presented. The approach described holds significant promise across multiple research and industrial domains, including but not limited to smart actuators, soft robotics, and medical devices. Materials science ; Extrusion ; 3D printing ; Fabrication ; Shape-memory polymer ; Polymer ; Rheology ; Soft robotics ; Screen printing ; Nanotechnology ; Actuator ; Smart material ; Process (computing) ; Fused filament fabrication ; Mechanical engineering ; Computer science ; Composite material ; Artificial intelligence Polymer composites and self-healing ; Advanced Materials and Mechanics ; Electrospun Nanofibers in Biomedical Applications