jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tanja Eder | Andreas Mautner | Yufeng Xu | Michael R. Reithofer | Alexander Bismarck | Jia Min Chin
Source: ACS Applied Materials & Interfaces (article, 2024-02-13)
Field: Materials Science — Surfaces, Coatings and Films

Transparent PDMS Surfaces with Covalently Attached Lubricants for Enhanced Anti-adhesion Performance Liquid-like surfaces featuring slippery, omniphobic, covalently attached liquids (SOCALs) reduce unwanted adhesion by providing a molecularly smooth and slippery surface arising from the high mobility of the liquid chains. Such SOCALs are commonly prepared on hard substrates, such as glass, wafers, or metal oxides, despite the importance of nonpolar elastomeric substrates, such as polydimethylsiloxane (<b>PDMS</b>) in anti-fouling or nonstick applications. Compared to polar elastomers, hydrophobic <b>PDMS</b> elastomer activation and covalent functionalization are significantly more challenging, as <b>PDMS</b> tends to display fast hydrophobic recovery upon activation as well as superficial cracking. Through the extraction of excess <b>PDMS</b> oligomers and fine-tuning of plasma activation parameters, homogeneously functionalized <b>PDMS</b> with fluorinated polysiloxane brushes could be obtained while at the same time reducing crack formation. Polymer brush mobility was increased through the addition of a smaller molecular silane linker to exhibit enhanced dewetting properties and reduced substrate swelling compared to functionalizations featuring hydrocarbon functionalities. Linear polymer brushes were verified by thermogravimetric analysis. The optical properties of <b>PDMS</b> remained unaffected by the activation in high-frequency plasma but were impacted by low-frequency plasma. Drastic decreases in solid adhesion of not just complex contaminants but even ice could be shown in horizontal push tests, demonstrating the potential of SOCAL-functionalized <b>PDMS</b> surfaces for improved nonstick applications. Materials science ; Polydimethylsiloxane ; Elastomer ; Dewetting ; Surface modification ; Adhesion ; Polymer ; Chemical engineering ; Covalent bond ; Thermogravimetric analysis ; Silane ; Contact angle ; Wetting ; Polymer chemistry ; Composite material ; Organic chemistry Surface Modification and Superhydrophobicity ; Adhesion, Friction, and Surface Interactions ; Advanced Sensor and Energy Harvesting Materials
Authors: Ziqian Ma | Yu Shen | Xiaoli Zhang | Bei Li | Yujin Chen | Chunling Zhu
Source: Advanced Functional Materials (article, 2024-09-15)
Field: Materials Science — Materials Chemistry

Enhanced Dielectric Loss Induced by Asymmetrically Coordinated Iron Single‐Atoms with Curved Configurations on Turing‐Like Surfaces for Electromagnetic Wave Absorption Abstract Curved support can significantly change the electronic structure of a metal single‐atom (M‐SA) and thereby fine tune its intrinsic physicochemical properties. However, constructing asymmetrically coordinated M‐SAs on highly curved supports remains challenging. Here, an efficient strategy driven by the different thermal decomposition rates of two polymers is proposed to create Turing surface with highly curved stripes on hollow carbon spheres (HCSs) for anchoring asymmetrically coordinated Fe‐N 3 S 1 moieties. Experimental and theoretical calculation results reveal that asymmetric Fe‐N 3 S 1 atoms and the strain of Fe─N bonds induced by the highly curved Turing surface efficiently break the symmetric distribution of the charge around the Fe atoms and significantly enhance the dielectric loss of the HCSs, thereby synergistically improving the electromagnetic wave absorption property. Remarkably, the film constructed with Fe‐N 3 S 1 ‐anchored HCSs and natural rubber exhibits a wide effective absorption bandwidth of 7.68 GHz at a filling ratio of 6%. Moreover, the film also possesses excellent hydrophobicity, frost‐resistant ability, adhesiveness, flexibility, stretchability, and heat‐dispersion ability, which expand its practical applications into various environments. This work provides insights into the synergistic effects of asymmetrically coordinated configurations and curved supports of M‐SAs on their dielectric properties and offers a new method for the preparation of multifunctional films. Materials science ; Dielectric ; Absorption (acoustics) ; Electromagnetic radiation ; Turing ; Dielectric loss ; Condensed matter physics ; Molecular physics ; Atomic physics ; Optoelectronics ; Optics ; Composite material ; Physics Graphene research and applications ; Metamaterials and Metasurfaces Applications ; Quantum optics and atomic interactions
Authors: Mikołaj Sadowski | Karolina Kula
Source: Molecules (article, 2024-10-26)
Field: Chemistry — Organic Chemistry

Unexpected Course of Reaction Between (1E,3E)-1,4-Dinitro-1,3-butadiene and N-Methyl Azomethine Ylide—A Comprehensive Experimental and Quantum-Chemical Study In recent times, interest in the chemistry of conjugated nitrodienes is still significantly increasing. In particular, the application of these compounds as building blocks to obtain heterocycles is a popular object of research. Therefore, in continuation of our research devoted to the topic of conjugated nitrodienes, experimental and quantum-chemical studies of a cycloaddition reaction between (1<i>E</i>,3<i>E</i>)-1,4-dinitro-1,3-butadiene and N-methyl azomethine ylide have been investigated. The computational results present that the tested reaction is realized through a <i>pdr</i>-type polar mechanism. In turn, the experimental study shows that in a course of this cycloaddition, only one reaction product in the form of 1-methyl-3-(<i>trans</i>-2-nitrovinyl)-Δ<sup>3</sup>-pyrroline is created. The constitution of this compound has been confirmed via spectroscopic methods. Finally, ADME analysis indicated that the synthesized Δ<sup>3</sup>-pyrroline exhibits biological potential, and it is a good drug candidate according to <i>Lipinski</i>, <i>Veber</i> and <i>Egan</i> rules. Nevertheless, PASS simulation showed that the compound exhibits weak antimicrobial, inhibitory and antagonist properties. Preliminary in silico research shows that although the obtained Δ<sup>3</sup>-pyrroline is not a good candidate for a drug, the presence of a nitrovinyl moiety in its structure indicates that the compound is an initial basis for further modifications. Cycloaddition ; Chemistry ; Conjugated system ; Computational chemistry ; Pyrroline ; Moiety ; Combinatorial chemistry ; Lipinski's rule of five ; Ylide ; Stereochemistry ; In silico ; Organic chemistry Organic Chemistry Cycloaddition Reactions ; Chemical Reaction Mechanisms ; Free Radicals and Antioxidants
Authors: Lingshan Gong | Lixiang Chen | Quanjie Lin | Lihua Wang | Zhangjing Zhang | Yingxiang Ye | Banglin Chen
Source: Small (review, 2024-07-16)
Field: Chemistry — Inorganic Chemistry

Nanoscale Metal–Organic Frameworks as a Photoluminescent Platform for Bioimaging and Biosensing Applications The tracking of nanomedicines in their concentration and location inside living systems has a pivotal effect on the understanding of the biological processes, early-stage diagnosis, and therapeutic monitoring of diseases. Nanoscale metal-organic frameworks (nano MOFs) possess high surface areas, definite structure, regulated optical properties, rich functionalized sites, and good biocompatibility that allow them to excel in a wide range of biomedical applications. Controllable syntheses and functionalization endow nano MOFs with better properties as imaging agents and sensing units for the diagnosis and treatment of diseases. This minireview summarizes the tunable synthesis strategies of nano MOFs with controllable size, shape, and regulated luminescent performance, and pinpoints their recent advanced applications as optical elements in bioimaging and biosensing. The current limitations and future development directions of nano MOF-contained materials in bioimaging and biosensing applications are also discussed, aiming to expand the biological applications of nano MOF-based nanomedicine and facilitate their production or clinical translation. Nanotechnology ; Biosensor ; Nanomedicine ; Materials science ; Metal-organic framework ; Nanoscopic scale ; Biocompatibility ; Surface modification ; Biomolecule ; Nano- ; Microfluidics ; Nanoparticle ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Jose Bolaños‐Cardet | Daniel Ruiz‐Molina | Vı́ctor J. Yuste | Salvio Suárez–García
Source: Chemical Engineering Journal (article, 2024-01-11)
Field: Chemistry — Organic Chemistry

Bioinspired phenol-based coatings for medical fabrics against antimicrobial resistance Multi-resistant pathogens can cause several nosocomial infections that can harm hospital interventions or undermine biological processes. In this scenario, the development of novel and efficient antimicrobial materials is essential to reducing pathogen spread. Though many approaches have been followed with this aim, scalability, safety, and efficiency concerns still hamper their clinical transfer. In this work, we overcome these limitations by co-polymerizing phenolic derivatives with amino-terminal ligands. The resulting coatings are successfully applied to woven and non-woven-based materials used in healthcare: paper, cotton and polypropylene. Moreover, the coatings demonstrate multi-pathway antimicrobial activity against six bacteria (E. coli, P. aeruginosa, S. aureus, methicillin-resistant S. aureus, E. faecalis, and B. subtilis) and two fungi (C. albicans and C. auris), a fact attributed to i) reactive oxygen species generation over time and ii) protic amino groups exposed on the surface. After 180 min, viable bacteria are reduced by more than 99.9 %, with a comparable decline in fungi after 24 h. As a proof-of-concept, coated commercial band-aids tested on skin ex vivo reduced bacterial growth by about 90 %. Considering these results and long-lasting, in vitro biocompatibility, scalability and eco-friendly technology, these coatings represent a promising alternative to be applied in healthcare environments, avoiding pathogen spread, infections and antimicrobial resistance. Antimicrobial ; Microbiology ; Antibiotic resistance ; Biofilm ; Disinfectant ; Bacteria ; Chemistry ; Antibiotics ; Materials science ; Biology ; Organic chemistry Antimicrobial agents and applications ; Antimicrobial Peptides and Activities ; Bacterial biofilms and quorum sensing
Authors: Chang‐lin Wang | Fabian Eisenreich | Željko Tomović
Source: Advanced Functional Materials (article, 2024-03-15)
Field: Chemistry — Spectroscopy

Aerogel‐To‐Sol‐To‐Aerogel (ASA) Process for Recycling, Repairing, Reprogramming of High‐Performance Organic Aerogels Abstract With rising energy demands and costs, the significance of thermally insulating materials is on a constant upward trajectory. While they offer impressive performance, their sustainability is increasingly becoming an essential design feature. The study thus develops an unprecedented strategy that enables recycling, repairing, and reprogramming of superinsulating polyimine aerogels. The principle at play involves the decomposition of polyimine aerogels into a solution of oligomers through transimination reactions with additional amines. This solution can be utilized to create new aerogels with virtually identical properties to the original ones. This aerogel‐to‐sol‐to‐aerogel (ASA) process is also applicable to mixed waste streams and damaged aerogels. Moreover, this method allows to alter the aerogel properties post‐synthetically through careful selection of amines. Since the ASA process is highly reproducible and selective, omits purification steps, and conserves 100% of the initially embedded chemical resources, it presents an innovative tool for the sustainable management of superinsulating aerogels. Aerogel ; Materials science ; Reprogramming ; Process (computing) ; Chemical engineering ; Nanotechnology Aerogels and thermal insulation ; Advanced Sensor and Energy Harvesting Materials ; Supercapacitor Materials and Fabrication
Authors: Dae Won Kim | Yu Chen | Hyunlim Kim | Namju Kim | Young Hoon Lee | Hyunchul Oh | Yongchul G. Chung | Chang Seop Hong
Source: Advanced Materials (article, 2024-04-15)
Field: Chemistry — Inorganic Chemistry

High Hydrogen Storage in Trigonal Prismatic Monomer‐Based Highly Porous Aromatic Frameworks Hydrogen storage is crucial in the shift toward a carbon-neutral society, where hydrogen serves as a pivotal renewable energy source. Utilizing porous materials can provide an efficient hydrogen storage solution, reducing tank pressures to manageable levels and circumventing the energy-intensive and costly current technological infrastructure. Herein, two highly porous aromatic frameworks (PAFs), C-PAF and Si-PAF, prepared through a Yamamoto C─C coupling reaction between trigonal prismatic monomers, are reported. These PAFs exhibit large pore volumes and Brunauer-Emmett-Teller areas, 3.93 cm<sup>3</sup> g<sup>-1</sup> and 4857 m<sup>2</sup> g<sup>-1</sup> for C-PAF, and 3.80 cm<sup>3</sup> g<sup>-1</sup> and 6099 m<sup>2</sup> g<sup>-1</sup> for Si-PAF, respectively. Si-PAF exhibits a record-high gravimetric hydrogen delivery capacity of 17.01 wt% and a superior volumetric capacity of 46.5 g L<sup>-1</sup> under pressure-temperature swing adsorption conditions (77 K, 100 bar → 160 K, 5 bar), outperforming benchmark hydrogen storage materials. By virtue of the robust C─C covalent bond, both PAFs show impressive structural stabilities in harsh environments and unprecedented long-term durability. Computational modeling methods are employed to simulate and investigate the structural and adsorption properties of the PAFs. These results demonstrate that C-PAF and Si-PAF are promising materials for efficient hydrogen storage. Materials science ; Trigonal crystal system ; Hydrogen storage ; Porosity ; Monomer ; Porous medium ; Trigonal prismatic molecular geometry ; Chemical engineering ; Crystallography ; Composite material ; Crystal structure ; Polymer ; Alloy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Fang Wu | Zhijian Zhang | Shengnan Ma | Yanyan He | Yuxi He | Lixia Ma | Ningjing Lei | Wenjing Deng | Fazhan Wang
Source: Theranostics (review, 2024-01-01)
Field: Materials Science — Biomaterials

Microenvironment-responsive nanosystems for ischemic stroke therapy Ischemic stroke, a common neurological disorder caused by impaired blood supply to the brain, presents a therapeutic challenge. Conventional treatments like thrombolysis and neuroprotection drugs lack ideal drug delivery systems, limiting their effectiveness. Selectively delivering therapies to the ischemic cerebral tissue holds great potential for preventing and/or treating ischemia-related pathological symptoms. The unique pathological microenvironment of the brain after ischemic stroke, characterized by hypoxia, acidity, and inflammation, offers new possibilities for targeted drug delivery. Pathological microenvironment-responsive nanosystems, extensively investigated in tumors with hypoxia-responsive systems as an example, could also respond to the ischemic cerebral microenvironment and achieve brain-targeted drug delivery and release. These emerging nanosystems are gaining traction for ischemic stroke treatment. In this review, we expound on the cerebral pathological microenvironment and clinical treatment strategies of ischemic stroke, highlight various stimulus-responsive materials employed in constructing ischemic stroke microenvironment-responsive nano delivery systems, and discuss the application of these microenvironment-responsive nanosystems in microenvironment regulation for ischemic stroke treatment. Ischemic stroke ; Medicine ; Stroke (engine) ; Tumor microenvironment ; Neuroscience ; Cardiology ; Internal medicine ; Ischemia ; Psychology ; Cancer Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Agus Wedi Pratama | Melbi Mahardika | Nurul Widiastuti | Bambang Piluharto | R.A. Ilyas | S.M. Sapuan | Devita Amelia | Afrinal Firmanda
Source: Case Studies in Chemical and Environmental Engineering (article, 2024-05-03)
Field: Materials Science — Biomaterials

Isolation and characterization of highly thermal stable microcrystalline cellulose derived from belulang grass (Eleusine indica) The development of transforming Belulang grass (Eleusine indica) fiber into high-value-added products has not been explored. Microcrystalline cellulose (MCC) is a promising natural material that has been widely used in several sectors. This study is focused on the MCC isolation from Belulang grass fibers using alkalization, bleaching, and acid hydrolysis. The effects of these treatments on the chemical composition, surface morphology, crystallinity, and thermal stability of the fibers were evaluated using various techniques. Fourier-transform infrared (FTIR) analysis confirmed the removal of lignin and hemicellulose content through treatments like alkalization and acid hydrolysis. Scanning electron microscopy (SEM) revealed a transformation in the fiber surface from a bundled structure to individual rods with average lengths of 15.64 μm after acid hydrolysis. Acid hydrolysis significantly increased the cellulose content by 119.2%, while simultaneously reducing hemicellulose and lignin contents by 72.6% and 84.1%, respectively. X-ray diffraction (XRD) analysis demonstrated a remarkable increase in crystallinity index from 51.87% to 75.76% following hydrolysis. Moreover, thermogravimetric analysis (TGA) confirmed the enhanced thermal stability of MCC, with a decomposition temperature reaching up to 366.53°C. These findings suggest that MCC derived from Belulang grass has the potential to be a sustainable alternative to synthetic materials for reinforcing biocomposites. Thermogravimetric analysis ; Crystallinity ; Hemicellulose ; Cellulose ; Thermal stability ; Microcrystalline cellulose ; Lignin ; Hydrolysis ; Materials science ; Acid hydrolysis ; Fourier transform infrared spectroscopy ; Nuclear chemistry ; Fiber ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material Advanced Cellulose Research Studies ; Natural Fiber Reinforced Composites ; Lignin and Wood Chemistry
Authors: Wenjuan Li | Fushun Liang | Xiucai Sun | Kangyi Zheng | Ruojuan Liu | Hao Yuan | Shuting Cheng | Jingnan Wang | Yi Cheng | Kewen Huang | Kun Wang | Yuyao Yang | Fan Yang | Ce Tu | Xinyu Mao | Wan‐Jian Yin | Ali Cai | Xiaobai Wang | Yue Qi | Zhongfan Liu
Source: Nature Communications (article, 2024-08-09)
Field: Materials Science — Materials Chemistry

Graphene-skinned alumina fiber fabricated through metalloid-catalytic graphene CVD growth on nonmetallic substrate and its mass production Graphene growth on widely used dielectrics/insulators via chemical vapor deposition (CVD) is a strategy toward transfer-free applications of CVD graphene for the realization of advanced composite materials. Here, we develop graphene-skinned alumina fibers/fabrics (GAFs/GAFFs) through graphene CVD growth on commercial alumina fibers/fabrics (AFs/AFFs). We reveal a vapor-surface-solid growth model on a non-metallic substrate, which is distinct from the well-established vapor-solid model on conventional non-catalytic non-metallic substrates, but bears a closer resemblance to that observed on catalytic metallic substrates. The metalloid-catalytic growth of graphene on AFs/AFFs resulted in reduced growth temperature (~200 °C lower) and accelerated growth rate (~3.4 times faster) compared to that obtained on a representative non-metallic counterpart, quartz fiber. The fabricated GAFF features a wide-range tunable electrical conductivity (1-15000 Ω sq<sup>-1</sup>), high tensile strength (>1.5 GPa), lightweight, flexibility, and a hierarchical macrostructure. These attributes are inherited from both graphene and AFF, making GAFF promising for various applications including electrical heating and electromagnetic interference shielding. Beyond laboratory level preparation, the stable mass production of large-scale GAFF has been achieved through a home-made roll-to-roll system with capacity of 468-93600 m<sup>2</sup>/year depending on product specifications, providing foundations for the subsequent industrialization of this material, enabling its widespread adoption in various industries. Graphene ; Materials science ; Substrate (aquarium) ; Nanotechnology ; Fiber ; Metalloid ; Composite material ; Metal ; Metallurgy Graphene research and applications ; Fiber-reinforced polymer composites ; Carbon Nanotubes in Composites
Authors: Ian Cheng‐Yi Hou | Liang Li | Hongyu Zhang | Pancě Naumov
Source: Smart Molecules (review, 2024-02-16)
Field: Materials Science — Materials Chemistry

Smart molecular crystal switches The multifaceted switches are part of our everyday life from the macroscopic to the molecular world. A molecular switch operating in the solution and in the crystalline state is very different. In this review, we summarize the state-of-the-art of smart molecular crystal switches based on molecular martensites. These crystal switches respond to external stimuli and reversibly change between states, retaining their macroscopic integrity. The operation of the switches predominantly relies on temperature alterations or mechanical stress, with emerging methods based on photothermal effects, photoisomerization, and host-guest chemistry. The capability of changing the molecular orientation and interaction in smart molecular crystal switches offers opportunities in several applications, including actuators, reversibly shaping structural materials, optoelectronic and magnetic materials, as well as switchable porous materials. Smart molecular crystal switches have vast potential in modern scientific and technological progress. The ongoing research shapes a rich landscape for innovation and future scientific exploration across diverse disciplines. Molecular switch ; Materials science ; Smart material ; Nanotechnology ; Crystal (programming language) ; Photoisomerization ; Actuator ; Computer science ; Chemistry ; Molecule Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials ; Luminescence and Fluorescent Materials