jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Robert Mundil | Catarina Bravo | Nicolas Merle | Philippe Zinck
Source: Chemical Reviews (review, 2023-12-12)
Field: Chemistry — Organic Chemistry

Coordinative Chain Transfer and Chain Shuttling Polymerization Coordinative chain transfer polymerization, CCTP, is a degenerative chain transfer polymerization process that has a wide range of applications. It allows a highly controlled synthesis of polyolefins, stereoregular polydienes, and stereoregular polystyrene, including (stereo)block as well as statistical copolymers thereof. It also shows a green character by allowing catalyst economy during the synthesis of such polymers. CCTP notably allows the end functionalization of both the commodity and stereoregular specialty polymers aforementionned, control of the composition of statistical copolymers without adjusting the feed, and quantitative formation of 1-alkenes from ethene. A one-pot one-step synthesis of the original multiblock microstructures and architectures by chain shuttling polymerization (CSP) is also an asset of CCTP. This methodology takes advantage of the simultaneous presence of two catalysts of different selectivity toward comonomers that produce blocks of different composition/microstructure, while still allowing the chain transfer. This affords the production of highly performant functional polymers, such as thermoplastic elastomers and adhesives, among others. This approach has been extended to cyclic esters' and ethers' ring-opening polymerization, providing new types of multiblock microstructure. The present Review provides the state of the art in the field with a focus on the last 10 years. Chain transfer ; Copolymer ; Polymerization ; Chemistry ; Living polymerization ; Polymer chemistry ; Polystyrene ; Polymer ; Kinetic chain length ; Anionic addition polymerization ; Chemical engineering ; Radical polymerization ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization
Authors: Sean W. Huth | James V. Oakley | Ciaran P. Seath | Jacob B. Geri | Aaron Trowbridge | Dann L. Parker | Frances P. Rodriguez‐Rivera | Adam G. Schwaid | Carlo P. Ramil | Keun Ah Ryu | Cory White | Olugbeminiyi Fadeyi | Rob Oslund | David W. C. MacMillan
Source: Journal of the American Chemical Society (article, 2023-07-20)
Field: Chemistry — Organic Chemistry

μMap Photoproximity Labeling Enables Small Molecule Binding Site Mapping The characterization of ligand binding modes is a crucial step in the drug discovery process and is especially important in campaigns arising from phenotypic screening, where the protein target and binding mode are unknown at the outset. Elucidation of target binding regions is typically achieved by X-ray crystallography or photoaffinity labeling (PAL) approaches; yet, these methods present significant challenges. X-ray crystallography is a mainstay technique that has revolutionized drug discovery, but in many cases structural characterization is challenging or impossible. PAL has also enabled binding site mapping with peptide- and amino-acid-level resolution; however, the stoichiometric activation mode can lead to poor signal and coverage of the resident binding pocket. Additionally, each PAL probe can have its own fragmentation pattern, complicating the analysis by mass spectrometry. Here, we establish a robust and general photocatalytic approach toward the mapping of protein binding sites, which we define as identification of residues proximal to the ligand binding pocket. By utilizing a catalytic mode of activation, we obtain sets of labeled amino acids in the proximity of the target protein binding site. We use this methodology to map, in vitro, the binding sites of six protein targets, including several kinases and molecular glue targets, and furthermore to investigate the binding site of the STAT3 inhibitor MM-206, a ligand with no known crystal structure. Finally, we demonstrate the successful mapping of drug binding sites in live cells. These results establish μMap as a powerful method for the generation of amino-acid- and peptide-level target engagement data. Chemistry ; Binding site ; Drug discovery ; Small molecule ; Ligand (biochemistry) ; Computational biology ; Peptide ; Amino acid ; Target protein ; Plasma protein binding ; Combinatorial chemistry ; Biochemistry ; Receptor ; Biology Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Protein Degradation and Inhibitors
Authors: Junyu Ren | Dan Zhao
Source: Advanced Functional Materials (article, 2023-11-10)
Field: Chemistry — Inorganic Chemistry

Recent Advances in Reticular Chemistry for Clean Energy, Global Warming, and Water Shortage Solutions Abstract The contemporary global crises concerning clean energy, carbon emission, and water shortage necessitate the creation of innovative materials that can tackle these pressing issues. Addressing these urgent concerns requires a deeper understanding of advanced materials and their versatile chemistry. Despite this, the advancement of material platforms to address these challenges remains formidable. In this respect, reticular chemistry offers an approach to systematically assemble molecular building blocks into crystalline frameworks, enabling precise control over their chemical composition, structure, porosity, and functionality, ultimately leading to the desired properties. Herein, the usage of metal‐organic frameworks and covalent organic frameworks are examined in terms of gaseous fuel storage, carbon capture, and water harvesting, highlighting their potential for addressing critical global challenges. Representative examples are evaluated through the lens of reticular chemistry, with an emphasis on exploring the relationship between their structures and properties. Finally, an extensive overview of the rapidly expanding field is provided, along with a summary and forecast of the current challenges and prospective research directions. Economic shortage ; Nanotechnology ; Reticular connective tissue ; Environmental science ; Computer science ; Materials science Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques
Authors: Munire Aili | Kebing Zhou | Jun Zhan | Huaping Zheng | Feng Luo
Source: Journal of Materials Chemistry B (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

Anti-inflammatory role of gold nanoparticles in the prevention and treatment of Alzheimer's disease Alzheimer's disease (AD) is a neurodegenerative disease that causes memory and cognitive dysfunction and reduces a person's decision-making and reasoning functions. AD is the leading cause of dementia in the elderly. Patients with AD have increased expression of pro-inflammatory cytokines in the nervous system, and the sustained inflammatory response impairs neuronal function. Meanwhile, long-term use of anti-inflammatory drugs can reduce the incidence of AD to some extent. This confirms that anti-neuroinflammation may be an effective treatment for AD. Gold nanoparticles (AuNPs) are an emerging nanomaterial with promising physicochemical properties, anti-inflammatory and antioxidant. AuNPs reduce neuroinflammation by inducing macrophage polarization toward the M2 phenotype, reducing pro-inflammatory cytokine expression, blocking leukocyte adhesion, and decreasing oxidative stress. Therefore, AuNPs are gradually attracting the interest of scholars and are used for treating inflammatory diseases and drug delivery. Herein, we explored the role and mechanism of AuNPs in treating neuroinflammation in AD. The use of AuNPs for treating AD is a topic worth exploring in the future, not only to help solve a global public health problem but also to provide a reference for treating other neuroinflammatory diseases. Disease ; Colloidal gold ; Nanotechnology ; Medicine ; Nanoparticle ; Materials science ; Internal medicine Nanoparticles: synthesis and applications ; Alzheimer's disease research and treatments ; Curcumin's Biomedical Applications
Authors: Shuo Wang | Yunsheng Liu | Yifei Mo
Source: Angewandte Chemie International Edition (article, 2023-02-07)
Field: Materials Science — Materials Chemistry

Frustration in Super‐Ionic Conductors Unraveled by the Density of Atomistic States The frustration in super-ionic conductors enables their exceptionally high ionic conductivities, which are desired for many technological applications including batteries and fuel cells. A key challenge in the study of frustration is the difficulties in analyzing a large number of disordered atomistic configurations. Using lithium super-ionic conductors as model systems, we propose and demonstrate the density of atomistic states (DOAS) analytics to quantitatively characterize the onset and degree of disordering, reveal the energetics of local disorder, and elucidate how the frustration enhances diffusion through the broadening and overlapping of the energy levels of atomistic states. Furthermore, material design strategies aided by the DOAS are devised and demonstrated for new super-ionic conductors. The DOAS is generally applicable analytics for unraveling fundamental mechanisms in complex atomistic systems and guiding material design. Frustration ; Ionic bonding ; Electrical conductor ; Lithium (medication) ; Diffusion ; Chemical physics ; Key (lock) ; Materials science ; Nanotechnology ; Ion ; Statistical physics ; Condensed matter physics ; Computer science ; Physics ; Thermodynamics ; Psychology Machine Learning in Materials Science ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Mark J. Lim | Gargey Yagnik | Corinna Henkel | Signe F. Frost | Tanja Bien | Kenneth J. Rothschild
Source: Frontiers in Chemistry (article, 2023-05-02)
Field: Chemistry — Spectroscopy

MALDI HiPLEX-IHC: multiomic and multimodal imaging of targeted intact proteins in tissues Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) is one of the most widely used methods for imaging the spatial distribution of unlabeled small molecules such as metabolites, lipids and drugs in tissues. Recent progress has enabled many improvements including the ability to achieve single cell spatial resolution, 3D-tissue image reconstruction, and the precise identification of different isomeric and isobaric molecules. However, MALDI-MSI of high molecular weight intact proteins in biospecimens has thus far been difficult to achieve. Conventional methods normally require <i>in situ</i> proteolysis and peptide mass fingerprinting, have low spatial resolution, and typically detect only the most highly abundant proteins in an untargeted manner. In addition, MSI-based multiomic and multimodal workflows are needed which can image both small molecules and intact proteins from the same tissue. Such a capability can provide a more comprehensive understanding of the vast complexity of biological systems at the organ, tissue, and cellular levels of both normal and pathological function. A recently introduced top-down spatial imaging approach known as MALDI HiPLEX-IHC (MALDI-IHC for short) provides a basis for achieving this high-information content imaging of tissues and even individual cells. Based on novel photocleavable mass-tags conjugated to antibody probes, high-plex, multimodal and multiomic MALDI-based workflows have been developed to image both small molecules and intact proteins on the same tissue sample. Dual-labeled antibody probes enable multimodal mass spectrometry and fluorescent imaging of targeted intact proteins. A similar approach using the same photocleavable mass-tags can be applied to lectin and other probes. We detail here several examples of MALDI-IHC workflows designed to enable high-plex, multiomic and multimodal imaging of tissues at a spatial resolution as low as 5 µm. This approach is compared to other existing high-plex methods such as imaging mass cytometry, MIBI-TOF, GeoMx and CODEX. Finally, future applications of MALDI-IHC are discussed. Mass spectrometry imaging ; MALDI imaging ; Chemistry ; Matrix-assisted laser desorption/ionization ; Computational biology ; Molecular imaging ; Small molecule ; Mass spectrometry ; Biochemistry ; Biology ; Chromatography ; Desorption Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; RNA and protein synthesis mechanisms
Authors: Hanna L. B. Boström | Sebastian T. Emmerling | Fabian Heck | Charlotte Koschnick | Andrew J. Jones | Matthew J. Cliffe | Rawan Al Natour | Mickaële Bonneau | Vincent Guillerm | Osama Shekhah | Mohamed Eddaoudi | Javier López‐Cabrelles | Shuhei Furukawa | María Romero‐Ángel | Carlos Martí‐Gastaldo | Minliang Yan | Amanda J. Morris | Ignacio Romero‐Muñiz | Ying Xiong | Ana E. Platero‐Prats | Jocelyn Roth | Wendy L. Queen | Kalle Mertin | Danielle E. Schier | Neil R. Champness | Hamish H.‐M. Yeung | Bettina V. Lotsch
Source: Advanced Materials (article, 2023-09-05)
Field: Chemistry — Inorganic Chemistry

How Reproducible is the Synthesis of Zr–Porphyrin Metal–Organic Frameworks? An Interlaboratory Study Metal-organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same building blocks, which complicates the phase selectivity. Likewise, the high sensitivity to slight changes in synthesis conditions may cause reproducibility issues. This is crucial, as it hampers the research and commercialization of affected MOFs. Here, it presents the first-ever interlaboratory study of the synthetic reproducibility of two Zr-porphyrin MOFs, PCN-222 and PCN-224, to investigate the scope of this problem. For PCN-222, only one sample out of ten was phase pure and of the correct symmetry, while for PCN-224, three are phase pure, although none of these show the spatial linker order characteristic of PCN-224. Instead, these samples resemble dPCN-224 (disordered PCN-224), which has recently been reported. The variability in thermal behavior, defect content, and surface area of the synthesised samples are also studied. The results have important ramifications for field of metal-organic frameworks and their crystallization, by highlighting the synthetic challenges associated with a multi-variable synthesis space and flat energy landscapes characteristic of MOFs. Porphyrin ; Materials science ; Metal-organic framework ; Nanotechnology ; Linker ; Reproducibility ; Phase (matter) ; Commercialization ; Organic chemistry ; Computer science ; Chemistry ; Chromatography Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Magnetism in coordination complexes
Authors: Sudip K. Mazumder | Lars F. Voss | Karen M. Dowling | Adam Conway | David L. Hall | Robert Kaplar | Gregory Pickrell | Jack Flicker | Andrew Binder | Srabanti Chowdhury | Victor Veliadis | Fang Luo | Sameh Khalil | Thomas Aichinger | S.R. Bahl | Matteo Meneghini | Alain B. Charles
Source: IEEE Journal of Emerging and Selected Topics in Power Electronics (article, 2023-05-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Overview of Wide/Ultrawide Bandgap Power Semiconductor Devices for Distributed Energy Resources This article provides an overview of power semiconductor devices (PSDs) for the distributed energy resource (DER) system. To begin with, an overview of electrically triggered silicon carbide (SiC) and gallium nitride (GaN) devices followed by a brief narration of ultrawide bandgap (UWBG) PSDs and, subsequently, an overview of optically activated PSDs encompassing photoconductive semiconductor switch (PCSS) and optical bipolar PSDs are provided. Finally, an overview of PSD packaging and reliability is captured. Semiconductor ; Wide-bandgap semiconductor ; Optoelectronics ; Band gap ; Materials science ; Power (physics) ; Electronic engineering ; Engineering physics ; Computer science ; Electrical engineering ; Physics ; Engineering Ga2O3 and related materials ; GaN-based semiconductor devices and materials ; ZnO doping and properties
Authors: Yamuna A P Chowmasundaram | Tong Ling Tan | Rosimah Nulit | Mashitah Jusoh | Suraya Abdul Rashid
Source: RSC Advances (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

Recent developments, applications and challenges for carbon quantum dots as a photosynthesis enhancer in agriculture The effects of carbon quantum dots (CQD) as promising nanomaterials in agriculture. Quantum dot ; Enhancer ; Photosynthesis ; Agriculture ; Nanotechnology ; Carbon quantum dots ; Chemistry ; Business ; Computer science ; Biology ; Materials science ; Biochemistry ; Gene ; Ecology Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; Graphene and Nanomaterials Applications
Authors: Yulia H. Budnikova | Egor L. Dolengovski | Maxim V. Tarasov | Tatyana V. Gryaznova
Source: Journal of Solid State Electrochemistry (article, 2023-04-18)
Field: Chemistry — Organic Chemistry

Electrochemistry in organics: a powerful tool for “green” synthesis Electrosynthesis ; Oxidizing agent ; Organic synthesis ; Reagent ; Chemistry ; Electrochemistry ; Green chemistry ; Nanotechnology ; Combinatorial chemistry ; Catalysis ; Biochemical engineering ; Organic chemistry ; Materials science ; Electrode ; Reaction mechanism Radical Photochemical Reactions ; Electrochemical Analysis and Applications ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Kaplan Kirakci | Michael A. Shestopalov | Kamil Lang
Source: Coordination Chemistry Reviews (article, 2023-02-08)
Field: Chemistry — Inorganic Chemistry

Recent developments on luminescent octahedral transition metal cluster complexes towards biological applications Chemistry ; Phosphorescence ; Singlet oxygen ; Luminescence ; Biomolecule ; Rhenium ; Nanotechnology ; Transition metal ; Molybdenum ; Biological imaging ; Quenching (fluorescence) ; Cluster (spacecraft) ; Octahedron ; Tungsten ; Combinatorial chemistry ; Photochemistry ; Fluorescence ; Inorganic chemistry ; Oxygen ; Crystallography ; Organic chemistry ; Crystal structure ; Materials science ; Catalysis Inorganic Chemistry and Materials ; Organometallic Complex Synthesis and Catalysis ; MXene and MAX Phase Materials
Authors: Kaihui Huang | Junxian Bai | Rongchen Shen | Xiuzhi Li | Chaochao Qin | Peng Zhang | Xin Li
Source: Advanced Functional Materials (article, 2023-09-08)
Field: Materials Science — Materials Chemistry

Boosting Photocatalytic Hydrogen Evolution Through Local Charge Polarization in Chemically Bonded Single‐Molecule Junctions Between Ketone Molecules and Covalent Organic Frameworks Abstract Efficient charge carrier separation is widely recognized as crucial for effective photocatalytic solar energy conversion. Although certain covalent organic frameworks (COFs) exhibit visible light absorption, rapid carrier recombination often severely restricts their photocatalytic efficiency. This study presents a novel molecular‐engineering approach to enhance carrier separation in 2D substoichiometric COFs post‐treatment with polar ketone molecules. Remarkably, through molecular engineering, incorporating polar ketone molecules induces local charge polarization within the COFs, substantially improving photocatalytic hydrogen evolution performance. Specifically, the modified COFs single‐molecule junctions demonstrate a 5.6‐fold increase in efficiency compared to the unmodified COFs. Experimental and theoretical investigations provide comprehensive evidence that introducing ketone‐based single‐molecule junctions induces local charge polarization and delocalization, thereby facilitating efficient carrier separation, rapid charge transfer, and enhanced dispersion in water. These findings validate the potential of fine‐tuning the carrier separation properties of COFs at the molecular level, offering new prospects for artificial photosynthesis. Materials science ; Photocatalysis ; Molecule ; Charge carrier ; Ketone ; Covalent bond ; Photochemistry ; Photocurrent ; Nanotechnology ; Delocalized electron ; Artificial photosynthesis ; Chemical physics ; Optoelectronics ; Catalysis ; Organic chemistry ; Chemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Sophie R. Beeren | Charlie T. McTernan | Fredrik Schaufelberger
Source: Chem (article, 2023-04-24)
Field: Chemistry — Organic Chemistry

The mechanical bond in biological systems The field of mechanically interlocked molecules (MIMs) has advanced rapidly in recent years, with much work focused on their use in materials, sensing, and catalysis. However, the use of MIMs in biology and biomedicine has been limited, despite the identification of naturally occurring MIMs in DNA and proteins and the potential advantages of the mechanical bond in fields such as nanomedicine and tissue engineering. Difficulties in the synthesis of MIMs, along with their limited solubility and stability in biological media, have until recently impeded their wider application in biology. Contemporary advances have, however, enabled a broader integration of the mechanical bond in biology; the mechanical interlocking endows these systems with unique functional advantages. Herein, we summarize recent advances in the application of small-molecule, biologically derived, and polymeric MIMs in biology, highlighting synergies ripe for future exploration. Nanomedicine ; Nanotechnology ; Biomedicine ; Synthetic biology ; Biochemical engineering ; Engineering ; Biology ; Computational biology ; Materials science ; Bioinformatics ; Nanoparticle Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Luminescence and Fluorescent Materials
Authors: Ganesan Padmini Tamilarasi | Govindaraj Sabarees | Manikandan Krishnan | Siddan Gouthaman | V. Alagarsamy | V. Raja Solomon
Source: Materials Advances (article, 2023-01-01)
Field: Materials Science — Biomaterials

Advances in electrospun chitosan nanofiber biomaterials for biomedical applications This review article summarises and discusses the recent developments in different biomedical applications of electrospun chitosan nanofibers. Nanofiber ; Chitosan ; Electrospinning ; Nanotechnology ; Materials science ; Engineering ; Chemical engineering ; Composite material ; Polymer Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications