jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tomoyuki Ikai | N. Mishima | Takehiro Matsumoto | Sayaka Miyoshi | Kosuke Oki | Eiji Yashima
Source: Angewandte Chemie International Edition (article, 2024-01-22)
Field: Chemistry — Organic Chemistry

2,2′‐Tethered Binaphthyl‐Embedded One‐Handed Helical Ladder Polymers: Impact of the Tether Length on Helical Geometry and Chiroptical Property Synthetic breakthroughs diversify the molecules and polymers available to chemists. We now report the first successful synthesis of a series of optically-pure 2,2'-tethered binaphthyl-embedded helical ladder polymers based on quantitative and chemoselective ladderization by the modified alkyne benzannulations using the 4-alkoxy-2,6-dimethylphenylethynyl group as the alkyne source, inaccessible by the conventional approach lacking the 2,6-dimethyl substituents. Due to the defect-free helix formation, the circular dichroism signal increased by more than 6 times the previously reported value. The resulting helical secondary structure can be fine-tuned by controlling the binaphthyl dihedral angle in the repeating unit with variations in the 2,2'-alkylenedioxy tethering groups by one carbon atom at a time. The optimization of the helical ladder structures led to a strong circularly polarized luminescence with a high fluorescence quantum yield (28 %) and luminescence dissymmetry factor (2.6×10<sup>-3</sup> ). Geometry ; Polymer ; Property (philosophy) ; Materials science ; Crystallography ; Chemistry ; Composite material ; Mathematics ; Philosophy Synthesis and Properties of Aromatic Compounds ; Supramolecular Self-Assembly in Materials ; DNA and Nucleic Acid Chemistry
Authors: Muhan Chen | Junhong Liu | Yidi Hu | Yujie Wu | Chun‐Yan Tang | Kai Ke | Weiyou Yang
Source: Materials Futures (article, 2024-07-04)
Field: Materials Science — Biomaterials

Silk fibroin-based flexible pressure sensors: processing and application Abstract With the advent of the internet of things and artificial intelligence, flexible and portable pressure sensors have shown great application potential in human-computer interaction, personalized medicine and other fields. By comparison with traditional inorganic materials, flexible polymeric materials conformable to the human body are more suitable for the fabrication of wearable pressure sensors. Given the consumption of a huge amount of flexible wearable electronics in near future, it is necessary to turn their attention to biodegradable polymers for the fabrication of flexible pressure sensors toward the development requirement of green and sustainable electronics. In this paper, the structure and properties of silk fibroin (SF) are introduced, and the source and research progress of the piezoelectric properties of SF are systematically discussed. In addition, this paper summarizes the advance in the studies on SF-based capacitive, resistive, triboelectric, and piezoelectric sensors reported in recent years, and focuses on their fabrication methods and applications. Finally, this paper also puts forward the future development trend of high-efficiency fabrication and corresponding application of SF-based piezoelectric sensors. It offers new insights into the design and fabrication of green and biodegradable bioelectronics for in vitro and in vivo sensing applications. Fabrication ; Fibroin ; Bioelectronics ; Conformable matrix ; Electronics ; Nanotechnology ; Capacitive sensing ; Wearable technology ; Wearable computer ; Pressure sensor ; Triboelectric effect ; Materials science ; Computer science ; Engineering ; Mechanical engineering ; Electrical engineering ; SILK ; Embedded system ; Biosensor ; Telecommunications Silk-based biomaterials and applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Source: Journal of Plasma Chemistry and Plasma Processing Research (article, 2024-02-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optimization of Magnetic Dielectric Nanocomposites Obtained by Facile and Low-Cost Fabrication for Effective Absorption of Electromagnetic Waves This work presents the synthesis of Fe3 O4 nanoparticles (FNPs) and nanocomposites (NCs) of FNPs and functionalized carbon nanotubes (CNTs) at varying weight ratios for application in 8–18 GHz electromagnetic waves (EMW) absorbers. Their dielectric, magnetic, and structural characteristics were also examined. To create the desired NCs, CNTs are first mixed with FNPs at various weight ratios. The magnetic properties of the samples were ascertained using a vibrating sample magnetometer, and the dielectric properties of all the samples were examined by a vector network analyzer at room temperature after the crystal structure of the samples was determined by X-ray diffraction, surface morphology, and elemental analysis by scanning electron microscopy, energy dispersive spectroscopy, and Fourier transform infrared spectroscopy. Fe3 O4 @CNTs NCs in six different weight ratios (NC1 -NC6 ) were prepared. Sample NC3 , with a thickness of 2.25 mm, exhibited the greatest loss in the X band, measuring -27.07 dB, out of all the samples. Additionally, the NC4 sample which has a thickness of 5.00 mm, had the best loss, which came in at -38.21 dB in the Ku band. A data-driven method developed for multi-parameter optimization was then used to find out the optimal ratio weight ratio and sample thickness based on the experimental data. Samples with minimum reflection loss -34.1 dB (-41.5 dB), and others with effective bandwidth coving 69.0 % (71.4 %) in the X band (Ku band) were obtained. Fabrication ; Materials science ; Nanocomposite ; Dielectric ; Absorption (acoustics) ; Electromagnetic radiation ; Optoelectronics ; Composite material ; Optics ; Physics Electromagnetic wave absorption materials ; Dielectric materials and actuators
Authors: Ziqi Zhang | Zhen Chen | Yiqing Zhang | Zichang Wang | Dehong Chen | Jing Liu | Zhiling Zhu
Source: Coordination Chemistry Reviews (article, 2024-11-13)
Field: Materials Science — Materials Chemistry

Leveraging mechanistic insight to design hydrolytic nanozymes Chemistry ; Nanotechnology ; Biochemical engineering ; Combinatorial chemistry Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Yunsung Lim | Baekjun Kim | Jihan Kim
Source: Chemistry of Materials (article, 2024-05-22)
Field: Chemistry — Inorganic Chemistry

Data-Driven Design of Flexible Metal–Organic Frameworks for Gas Storage Flexible metal–organic frameworks (MOFs) can show remarkable properties that can be useful for various gas separation and storage applications. However, due to the relatively small number of data compared to those of rigid MOFs, the computational design of flexible MOFs with the desired properties has been challenging. In this study, we propose novel methods for designing MOFs that possess potential flexibility and discover new flexible MOFs capable of exhibiting an S-shaped isotherm, indicating a high gas working capacity. Employing our methods, we constructed a comprehensive database comprising MOFs with potential flexibility, which we subsequently screened using molecular simulations to identify optimal MOFs with high CH4 and H2 working capacity and flexibility. Specifically, we have identified five optimal candidates that may exhibit S-shaped isotherms with exceptional CH4 working capacity. Furthermore, we have determined that these optimal candidates have wide-ranging applicability for other gases such as H2. In particular, one of the candidate MOFs (named Co+E11) shows a theoretical working capacity of 214.5 v(STP)/v for CH4 (298 K, 5.8–65 bar) and 45.0 g/L for H2 (77 K, 5–100 bar), surpassing the current world record of 208 v(STP)/v for CH4 and 37.2 g/L for H2. Hence, we demonstrate the expansion of the data-driven MOF space into the realm of flexible MOFs and propose new synthesizable candidates for gas storage applications. Metal-organic framework ; Materials science ; Nanotechnology ; Metal ; Process engineering ; Environmental science ; Computer science ; Chemistry ; Engineering ; Metallurgy ; Adsorption ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Machine Learning in Materials Science
Authors: Rajib Rahman | Fazal Malik | Zaw Min Hein | Junrong Huang | Hengzhi You | Yuxiang Zhu
Source: ChemPlusChem (review, 2024-12-23)
Field: Chemistry — Inorganic Chemistry

Continuous Flow Synthesis and Applications of Metal‐Organic Frameworks: Advances and Innovations Metal-Organic Frameworks (MOFs) are an emerging class of solid-state materials comprising inorganic elements and organic molecules. These hybrid materials are widely recognized for their diverse properties, rendering them indispensable in the field of organic synthesis, material science and the pharmaceutical industry. Although the traditional batch methods for MOFs synthesis are well-developed, they often struggle with reproducibility, scalability and environmental issues. However, the development of continuous flow techniques has emerged as a promising alternative, offering more efficient mass and heat transfer, precise reaction control, greater potential for automation, improved safety, and reduced environmental impact. This review primarily focuses on advanced continuous flow synthesis of MOFs incorporating techniques such as air flow, spray drying, microwave, micro-droplets, supercritical carbon dioxide, and ultrasound. Additionally, the recent advancements in applying MOFs as heterogeneous catalysts for various organic transformations under continuous flow conditions are discussed, categorized by the type of bond formation, including C-H bond formation (hydrogen reduction), C-C bond formation, and C-O bond formation. Metal-organic framework ; Nanotechnology ; Organic synthesis ; Supercritical fluid ; Continuous flow ; Flow chemistry ; Materials science ; Process engineering ; Biochemical engineering ; Chemistry ; Catalysis ; Organic chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Carbon dioxide utilization in catalysis
Authors: Karabo G. Sekwele | Shepherd M. Tichapondwa | Washington Mhike
Source: Discover Materials (review, 2024-07-01)
Field: Materials Science — Biomaterials

Cellulose, graphene and graphene-cellulose composite aerogels and their application in water treatment: a review Abstract Due to their unique properties such as outstanding specific surface areas, aerogels can potentially offer a cost-effective and efficient water and wastewater treatment solution thereby solving the worldwide ever-growing water pollution conundrum. This review explores the developments and progress in the application of cellulose, graphene, and cellulose-graphene composite aerogels in addressing water treatment challenges. The objective of this study was to critically review the state-of-the-art with respect to synthesis methods and properties of cellulose, graphene, and cellulose-graphene composite aerogels and their application, effectiveness and performance in water and wastewater treatment. It is evident from the review that cost-effective aerogel production methods that can be scaled up easily still need to be developed to enable commercial viability of aerogels in water treatment. Furthermore, the mechanical properties of aerogels, particularly stiffness and strength, are a hinderance to expanding their utility. The potential for functionalization of the aerogels through fabrication of aerogel nanocomposites or incorporation of functional groups was recognized as a viable method to enhance their properties and effectiveness in water treatment and other advanced industrial-scale applications. Graphene-cellulose composite aerogels have enhanced properties, removal capacities and efficiencies for pollutants from water compared to aerogels prepared from the individual materials. The regeneration ability and reusability of the composite aerogels make them an attractive option for practical applications. Although the potential of cellulose, graphene, and cellulose-graphene composite aerogels in water treatment applications is apparent, the impact of their production, utilization and subsequent disposal on sustainability and the environmental is yet to be fully studied. Graphene ; Aerogel ; Cellulose ; Materials science ; Composite number ; Surface modification ; Wastewater ; Environmentally friendly ; Nanotechnology ; Chemical engineering ; Composite material ; Waste management Advanced Cellulose Research Studies ; Aerogels and thermal insulation ; Surface Modification and Superhydrophobicity
Authors: Chaoyi Yan | Lanyi Xiang | Xiao Yu | Zhang Xuefeng | Ziling Jiang | Boya Zhang | Chenyang Li | Shaoyan Di | Fengjiao Zhang
Source: Nature Communications (article, 2024-11-22)
Field: Materials Science — Polymers and Plastics

Lateral intercalation-assisted ionic transport towards high-performance organic electrochemical transistor Efficiently mixed conduction between ionic and electronic charges stands to revolutionize the studies in organic electrochemical transistors (OECTs). However, inefficient ion transport due to the long-range injection and migration process in the bulk film presents challenges for enhancing the steady and transient performance of OECTs. In this work, we proposed a lateral intercalation-assisted ion transport strategy to assist volumetric ion charging, by introducing a striped microstructure in the conductive channel. By precisely adjusting the ratio of lateral area (RoL), the electrical performance, indicated by the maximum transconductance versus response time (G<sub>m,max</sub>/τ), increases progressively by over 600%. We further unveiled the mechanism for the enhanced doping uniformity and increased volume capacitance at the lateral area. Based on the universality investigation, we uncovered the effects of molecular stacking on ionic lateral intercalation transport, contributing to the high-performance OECTs and the bio-applications in the recording of dynamic electrocardiography (ECG) signals with distinct features. Materials science ; Intercalation (chemistry) ; Ionic bonding ; Ion ; Stacking ; Transistor ; Nanotechnology ; Electrochemistry ; Transconductance ; Thermal conduction ; Capacitance ; Optoelectronics ; Ion transporter ; Ionic conductivity ; Electrolyte ; Electrode ; Voltage ; Chemistry ; Electrical engineering ; Composite material ; Inorganic chemistry Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Fuel Cells and Related Materials
Authors: Mohamed S. H. Salem | R. D. SHARMA | Seika Suzuki | Yoshitane Imai | Mitsuhiro Arisawa | Shinobu Takizawa
Source: Chirality (article, 2024-05-01)
Field: Chemistry — Organic Chemistry

Impact of helical elongation of symmetric oxa[<i>n</i>]helicenes on their structural, photophysical, and chiroptical characteristics The adjustment of the main helical scaffold in helicenes is a fundamental strategy for modulating their optical features, thereby enhancing their potential for diverse applications. This work explores the influence of helical elongation (n = 5-9) on the structural, photophysical, and chiroptical features of symmetric oxa[n]helicenes. Crystal structure analyses revealed structural variations with helical extension, impacting torsion angles, helical pitch, and packing arrangements. Through theoretical investigations using density functional theory (DFT) calculations, the impact of helical extension on aromaticity, planarity distortion, and heightened chiral stability were discussed. Photophysical features were studied through spectrophotometric analysis, with insights gained through time-dependent DFT (TD-DFT) calculations. Following optical resolution via chiral high-performance liquid chromatography (HPLC), the chiroptical properties of both enantiomers of oxa[7]helicene and oxa[9]helicene were investigated. A slight variation in the main helical scaffold of oxa[n]helicenes from [7] to [9] induced an approximately three-fold increase in dissymmetry factors with the biggest values of|g<sub>lum</sub>| of oxa[9]helicene (2.2 × 10<sup>-3</sup>) compared to|g<sub>lum</sub>|of oxa[7]helicene (0.8 × 10<sup>-3</sup>), findings discussed and supported by TD-DFT calculations. Helicene ; Chemistry ; Enantiomer ; Density functional theory ; Elongation ; Circular dichroism ; Crystallography ; Chirality (physics) ; Computational chemistry ; Stereochemistry ; Molecule ; Organic chemistry ; Materials science ; Chiral symmetry breaking ; Symmetry breaking Synthesis and Properties of Aromatic Compounds ; Photochromic and Fluorescence Chemistry ; DNA and Nucleic Acid Chemistry
Authors: Abdullah El-Rifai | Sreehari Perumanath | Matthew K. Borg | Rohit Pillai
Source: The Journal of Physical Chemistry C (article, 2024-05-13)
Field: Materials Science — Materials Chemistry

Unraveling the Regimes of Interfacial Thermal Conductance at a Solid/Liquid Interface The interfacial thermal conductance at a solid/liquid interface (<i>G</i>) exhibits an exponential-to-linear crossover with increasing solid/liquid interaction strength, previously attributed to the relative strength of solid/liquid to liquid/liquid interactions. Instead, using a simple Lennard-Jones setup, our molecular simulations reveal that this crossover occurs due to the onset of solidification in the interfacial liquid at high solid/liquid interaction strengths. This solidification subsequently influences interfacial energy transport, leading to the crossover in <i>G</i>. We use the overlap between the spectrally decomposed heat fluxes of the interfacial solid and liquid to pinpoint when "solid-like energy transport" within the interfacial liquid emerges. We also propose a novel decomposition of <i>G</i> into (i) the conductance right at the solid/liquid interface and (ii) the conductance of the nanoscale interfacial liquid region. We demonstrate that the rise of solid-like energy transport within the interfacial liquid influences the relative magnitude of these conductances, which in turn dictates when the crossover occurs. Our results can aid engineers in optimizing <i>G</i> at realistic interfaces, critical to designing effective cooling solutions for electronics among other applications. Interface (matter) ; Materials science ; Conductance ; Thermal ; Thermal conductivity ; Chemical physics ; Condensed matter physics ; Engineering physics ; Chemistry ; Thermodynamics ; Physics ; Composite material ; Wetting Thermal properties of materials ; Molecular Junctions and Nanostructures ; Advanced Thermodynamics and Statistical Mechanics
Authors: Chen‐Hui Mi | Xin-Ya Qi | Yanwen Zhou | Yanwen Ding | Dai‐Xu Wei | Yong Wang
Source: Discover Nano (review, 2024-08-08)
Field: Materials Science — Biomaterials

Advances in medical polyesters for vascular tissue engineering Blood vessels are highly dynamic and complex structures with a variety of physiological functions, including the transport of oxygen, nutrients, and metabolic wastes. Their normal functioning involves the close and coordinated cooperation of a variety of cells. However, adverse internal and external environmental factors can lead to vascular damage and the induction of various vascular diseases, including atherosclerosis and thrombosis. This can have serious consequences for patients, and there is an urgent need for innovative techniques to repair damaged blood vessels. Polyesters have been extensively researched and used in the treatment of vascular disease and repair of blood vessels due to their excellent mechanical properties, adjustable biodegradation time, and excellent biocompatibility. Given the high complexity of vascular tissues, it is still challenging to optimize the utilization of polyesters for repairing damaged blood vessels. Nevertheless, they have considerable potential for vascular tissue engineering in a range of applications. This summary reviews the physicochemical properties of polyhydroxyalkanoate (PHA), polycaprolactone (PCL), poly-lactic acid (PLA), and poly(lactide-co-glycolide) (PLGA), focusing on their unique applications in vascular tissue engineering. Polyesters can be prepared not only as 3D scaffolds to repair damage as an alternative to vascular grafts, but also in various forms such as microspheres, fibrous membranes, and nanoparticles to deliver drugs or bioactive ingredients to damaged vessels. Finally, it is anticipated that further developments in polyesters will occur in the near future, with the potential to facilitate the wider application of these materials in vascular tissue engineering. Polyester ; Tissue engineering ; Biocompatibility ; Vascular tissue ; Polyhydroxyalkanoates ; Polycaprolactone ; Tissue repair ; Biomedical engineering ; Scaffold ; PLGA ; Blood vessel ; Materials science ; Nanotechnology ; Chemistry ; Medicine ; Polymer ; Nanoparticle ; Biology ; Organic chemistry Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties ; Tissue Engineering and Regenerative Medicine
Authors: Yumi Yakiyama | Minghong Li | Dongyi Zhou | Tsuyoshi Abe | Chisato Sato | Kohei Sambe | Tomoyuki Akutagawa | Teppei Matsumura | Nobuyuki Matubayasi | Hidehiro Sakurai
Source: Journal of the American Chemical Society (article, 2024-02-20)
Field: Materials Science — Materials Chemistry

Biased Bowl-Direction of Monofluorosumanene in the Solid State A new curved π-conjugated molecule 1-fluorosumanene (<b>1</b>) was designed and synthesized that possesses one fluorine atom on the benzylic carbon of sumanene. This compound can exhibit bowl inversion in solution, leading to the formation of two diastereomers, <b>1</b><sub><b><i>endo</i></b></sub> and <b>1</b><sub><b><i>exo</i></b></sub>, with different dipole moments. Experimental and theoretical investigation revealed an energetical relationship among <b>1</b><sub><b><i>exo</i></b></sub>, <b>1</b><sub><b><i>endo</i></b></sub>, and solvent to realize the various <i>endo</i>:<i>exo</i> ratios in the single crystals of <b>1</b> depending on the crystallization solvent. Significantly, the molecular dynamics (MD) simulations revealed that <b>1</b><sub><b><i>exo</i></b></sub> positively worked for the elongation of the stacking structure and the final <i>endo</i>:<i>exo</i> ratio was affected by the relative stability difference between <b>1</b><sub><b><i>endo</i></b></sub> and <b>1</b><sub><b><i>exo</i></b></sub> derived by solvation. Such an arrangeable <i>endo</i>:<i>exo</i> ratio of <b>1</b> realized the preparation of unique materials showing a different dielectric response from the same molecule <b>1</b> just by changing the crystallization solvent. Chemistry ; Crystallization ; Solvent ; Molecule ; Conjugated system ; Diastereomer ; Solvation ; Dipole ; Stacking ; Fluorine ; Crystallography ; Computational chemistry ; Chemical physics ; Stereochemistry ; Organic chemistry ; Polymer Silicone and Siloxane Chemistry ; Synthesis and Properties of Aromatic Compounds ; Synthesis and characterization of novel inorganic/organometallic compounds