jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Pablo González Cortes | Rodrigo Araya‐Hermosilla | Kerry Wrighton‐Araneda | Diego Cortés‐Arriagada | Francesco Picchioni | Yan Feng | Petra Rudolf | Ranjita K. Bose | Franck Quero
Source: Materials Today Chemistry (article, 2023-10-23)
Field: Materials Science — Polymers and Plastics

Effect of intermolecular interactions on the glass transition temperature of chemically modified alternating polyketones Thermal properties of polymers depend on the chemical structure of the polymer chain and intermolecular forces arising from hydrogen bonding and π-π stacking. Here we analyzed the effect of increasing the amount of supramolecular interactions on the glass transition temperature of polyketones by chemically modifying the same polymer backbone with five amine derivatives, namely (1-(3-aminopropyl)-imidazole, 4-(aminomethyl) benzoic acid, 6-aminohexanoic acid, benzylamine or hexylamine, at various molar concentrations. The grafting was performed via the Paal-Knorr reaction and the interactions between the pyrrole backbone and different grafted functional groups were elucidated by proton nuclear magnetic resonance, Fourier transform infrared and X-ray photoelectron spectroscopy as well as differential scanning calorimetry and computational modeling. The modification of polyketone with 4-(aminomethyl) benzoic acid and 6-aminohexanoic acid, allowed for new possibilities of hydrogen bonding and led to a significant increase in the glass transition temperature as compared to the neat polymer and pyrrole-containing polymers that did not bear reactive side groups. In contrast, modification with the imidazole derivative was found to introduce new and more robust CH⋯π interactions between imidazole groups and the π-system of the pyrrole backbone chain, based on electrostatic effects. Both types of supramolecular interactions affect the mobility of the backbone chains and this systematic study demonstrates how the combined effect of π-π stacking and hydrogen bonding to carboxylate moieties can be used to tune the molecular mobility and phase transition temperature of these chemically modified polyketones. Hydrogen bond ; Chemistry ; Polymer chemistry ; Glass transition ; Differential scanning calorimetry ; Supramolecular chemistry ; Polymer ; Stacking ; Intermolecular force ; Infrared spectroscopy ; Imidazole ; Organic chemistry ; Molecule Polymer crystallization and properties ; Synthesis and properties of polymers ; Conducting polymers and applications
Authors: Hui-Peng Lim | Chani Oshadi Karandagaspitiya | Derek Kwan-Hoe Chan | L.Y. Low | Beng Ti Tey | Eng‐Seng Chan
Source: Additive manufacturing (review, 2023-06-27)
Field: Materials Science — Materials Chemistry

Pickering emulsion ink in additive manufacturing: A state-of-the-art review Pickering emulsion ; Materials science ; Emulsion ; Inkwell ; Nanotechnology ; Rheology ; 3D printing ; Colloidal particle ; Colloid ; Adsorption ; Chemical engineering ; Nanoparticle ; Composite material ; Organic chemistry ; Engineering ; Chemistry Pickering emulsions and particle stabilization ; 3D Printing in Biomedical Research ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Anastasiia O. Krushynska | Shahram Janbaz | Joo Hwan Oh | Martin Wegener | Nicholas X. Fang
Source: Applied Physics Letters (article, 2023-12-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fundamentals and applications of metamaterials: Breaking the limits INTRODUCTION<br/>Metamaterials are rationally designed composites with engineered architectures that deliver exceptional effective material parameters translated into unprecedented functionalities.1 After the first applications in optics,2,3 metamaterials have rapidly entered various physical fields, including photonics,4 acoustics,5 materials science,6,7 mechanics,8 and plasmonics,9 and enabled mind-blowing phenomena, like invisibility cloaking,10,11 programmable and mechanism-based behavior,12 topological invariant states,13 and many others.14,15 Nowadays, metamaterials have been attracting continuously growing attention because of their negative or extreme elastic, thermal, structural, mechanical, and dynamic properties that are highly demanded in numerous applications, e.g., energy harvesting, sensors, biomedical, automotive, aerospace, speech recognition, signal processing, to name a few. The development of metamaterials strongly benefits from rapid progress in manufacturing technologies, especially additive manufacturing, including optical 3D printing, advanced lithography, multi–photon 4D printing, and nano-printing.16,17<br/><br/>The goal of this Special Topic is to highlight the latest trends in the design of metamaterials and to discuss the expansion of metamaterials' functionalities. Considering the strong application potential of metamaterials and their increasing uptake in various branches of industry, we also aim to overview promising technological developments and application breakthroughs. We believe that this Special Topic collecting studies from leading research groups represents the state-of-the-art and will further stimulate research on metamaterials. Metamaterial ; Physics ; Materials science ; Nanotechnology ; Optoelectronics Metamaterials and Metasurfaces Applications ; Antenna Design and Analysis ; Acoustic Wave Phenomena Research
Authors: Siyuan Sun | Zhenxiang Zheng | Jun Wang | Fengming Li | An He | Kunjia Lai | Shuang Zhang | Jiahong Lu | Ruijun Tian | Chris Soon Heng Tan
Source: Nature Communications (article, 2023-11-24)
Field: Chemistry — Spectroscopy

Improved in situ characterization of protein complex dynamics at scale with thermal proximity co-aggregation Cellular activities are carried out vastly by protein complexes but large repertoire of protein complexes remains functionally uncharacterized which necessitate new strategies to delineate their roles in various cellular processes and diseases. Thermal proximity co-aggregation (TPCA) is readily deployable to characterize protein complex dynamics in situ and at scale. We develop a version termed Slim-TPCA that uses fewer temperatures increasing throughputs by over 3X, with new scoring metrics and statistical evaluation that result in minimal compromise in coverage and detect more relevant complexes. Less samples are needed, batch effects are minimized while statistical evaluation cost is reduced by two orders of magnitude. We applied Slim-TPCA to profile K562 cells under different duration of glucose deprivation. More protein complexes are found dissociated, in accordance with the expected downregulation of most cellular activities, that include 55S ribosome and respiratory complexes in mitochondria revealing the utility of TPCA to study protein complexes in organelles. Protein complexes in protein transport and degradation are found increasingly assembled unveiling their involvement in metabolic reprogramming during glucose deprivation. In summary, Slim-TPCA is an efficient strategy for characterization of protein complexes at scale across cellular conditions, and is available as Python package at https://pypi.org/project/Slim-TPCA/ . Protein aggregation ; Protein degradation ; Computational biology ; Chemistry ; Biophysics ; Computer science ; Cell biology ; Biochemistry ; Biology Advanced Proteomics Techniques and Applications ; Protein Structure and Dynamics ; Microbial Metabolic Engineering and Bioproduction
Authors: Kenta Hoshino | Shusuke Kasamatsu | Junji Hyodo | Kentaro Yamamoto | Hiroyuki Setoyama | Toshihiro Okajima | Yoshihiro Yamazaki
Source: Chemistry of Materials (article, 2023-03-14)
Field: Materials Science — Materials Chemistry

Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Sc-Doped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations Proton-conducting oxides, specifically heavily Sc-doped barium zirconate perovskite, have attracted attention as electrolytes for intermediate-temperature protonic ceramic fuel cells because of their high proton conductivity and high chemical stability against carbon dioxide in that temperature regime. Hydration is a key reaction for incorporating protons by filling oxygen vacancies, VO, with hydroxyl groups and activating proton conduction in the perovskite. However, probing the local environment of oxygen vacancies responsible for hydration is challenging because the behavior depends on the temperature and water partial pressure, which necessitates in situ observations and calculations of the local environments at elevated temperatures. To obtain such information, we combined in situ X-ray absorption spectroscopy (XAS) for both the Sc and Zr K-edges, thermogravimetry, X-ray diffractometry, and active learning ab initio replica exchange Monte Carlo (RXMC) simulations in undoped and 20–40 at % Sc-doped barium zirconates at and below 800 °C. The presence of oxygen vacancies adjacent to Sc and Zr in the dehydrated samples and the hydration of these oxygen vacancies under a wet atmosphere were probed by in situ XAS for Sc and Zr pre-edges at elevated temperatures. Here, the microscopic hydration linearly responds to the macroscopic degree of hydration. RXMC sampling further supports the presence of Sc-VO-Zr and Sc-VO-Sc environments. An initial hydration occurs in the Sc-VO-Zr environment at and above 600 °C, but the Sc-VO-Sc environment contribution is greater at higher degrees of hydration. The Zr-Vo-Zr environment is the least abundant among them for the whole temperature range examined and thus has a negligible impact. Materials science ; X-ray absorption spectroscopy ; Perovskite (structure) ; Analytical Chemistry (journal) ; Absorption spectroscopy ; Chemistry ; Crystallography Advancements in Solid Oxide Fuel Cells ; Catalysis and Oxidation Reactions ; Electronic and Structural Properties of Oxides
Authors: Douglas M. Matson | L. Battezzati | P. K. Galenko | Charles‐André Gandin | A. K. Gangopadhyay | H. Henein | K. F. Kelton | Matthias Kolbe | J. Valloton | Sven C. Vogel | T. Volkmann
Source: npj Microgravity (review, 2023-08-15)
Field: Materials Science — Materials Chemistry

Electromagnetic levitation containerless processing of metallic materials in microgravity: rapid solidification Space levitation processing allows researchers to conduct benchmark tests in an effort to understand the physical phenomena involved in rapid solidification processing, including alloy thermodynamics, nucleation and growth, heat and mass transfer, solid/liquid interface dynamics, macro- and microstructural evolution, and defect formation. Supported by ground-based investigations, a major thrust is to develop and refine robust computational tools based on theoretical and applied approaches. This work is accomplished in conjunction with experiments designed for precise model validation with application to a broad range of industrial processes. Levitation ; Magnetic levitation ; Nucleation ; Benchmark (surveying) ; Macro ; Work (physics) ; Materials science ; Mechanical engineering ; Computer science ; Aerospace engineering ; Magnet ; Physics ; Engineering ; Thermodynamics ; Geology Solidification and crystal growth phenomena ; Metallurgical Processes and Thermodynamics ; Aluminum Alloy Microstructure Properties
Authors: Ana Caroline Medeiros Brito | Maria Cristina Ferreira de Oliveira | Osvaldo N. Oliveira | Filipi N. Silva | Diego R. Amancio
Source: ACS Applied Materials & Interfaces (review, 2023-06-04)
Field: Materials Science — Materials Chemistry

Network Analysis and Natural Language Processing to Obtain a Landscape of the Scientific Literature on Materials Applications Recent progress in natural language processing (NLP) enables mining the literature in various tasks akin to knowledge discovery. Obtaining an updated birds-eye view of key research topics and their evolution in a vast, dynamic field such as materials science is challenging even for experienced researchers. In this Perspective paper, we present a landscape of the area of applied materials in selected representative journals based on a combination of methods from network science and simple NLP strategies. We found a predominance of energy-related materials, e.g., for batteries and catalysis, organic electronics, which include flexible sensors and flexible electronics, and nanomedicine with various topics of materials used in diagnosis and therapy. As for the impact calculated through standard metrics of impact factor, energy-related materials and organic electronics are again top of the list across different journals, while work in nanomedicine has been found to have a lower impact in the journals analyzed. The adequacy of the approach to identify key research topics in materials applications was verified indirectly by comparing the topics identified in journals with diverse scopes, including journals that are not specific to materials. The approach can be employed to obtain a fast overview of a given field from the papers published in related scientific journals, which can be adapted or extended to any research area. Field (mathematics) ; Data science ; Computer science ; Electronics ; Key (lock) ; Nanomedicine ; Natural (archaeology) ; Nanotechnology ; Engineering ; Materials science Machine Learning in Materials Science ; Computational Drug Discovery Methods
Authors: Zhenxing Xia | Weiwei Mu | Shijun Yuan | Shunli Fu | Yongjun Liu | Na Zhang
Source: Pharmaceutics (article, 2023-12-13)
Field: Materials Science — Biomaterials

Cell Membrane Biomimetic Nano-Delivery Systems for Cancer Therapy Nano-delivery systems have demonstrated great promise in the therapy of cancer. However, the therapeutic efficacy of conventional nanomedicines is hindered by the clearance of the blood circulation system and the physiological barriers surrounding the tumor. Inspired by the unique capabilities of cells within the body, such as immune evasion, prolonged circulation, and tumor-targeting, there has been a growing interest in developing cell membrane biomimetic nanomedicine delivery systems. Cell membrane modification on nanoparticle surfaces can prolong circulation time, activate tumor-targeting, and ultimately improve the efficacy of cancer treatment. It shows excellent development potential. This review will focus on the advancements in various cell membrane nano-drug delivery systems for cancer therapy and the obstacles encountered during clinical implementation. It is hoped that such discussions will inspire the development of cell membrane biomimetic nanomedical systems. Nanomedicine ; Drug delivery ; Cancer therapy ; Blood circulation ; Cancer ; Cancer cell ; Nanotechnology ; Immune system ; Medicine ; Materials science ; Nanoparticle ; Immunology ; Internal medicine Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Extracellular vesicles in disease
Authors: Seiji Sakamoto | Itaru Hamachi
Source: Israel Journal of Chemistry (article, 2023-02-06)
Field: Chemistry — Organic Chemistry

Ligand‐Directed Chemistry for Protein Labeling for Affinity‐Based Protein Analysis Abstract Structural and functional analyses of proteins‐of‐interest (POI) in multimolecular crowding conditions (mMCC) such as live cells and tissues are regarded as inevitable challenges for in depth understanding of the real shapes of POIs in their existing natural environments. Activity‐based protein profiling (ABPP) is a definitely powerful tool capable of analyzing a proteome possessing a particular activity under mMCC. While ABPP usually targets a proteome of interest, study of a particular protein in mMCC is also valuable. Although activity‐based probes (ABPs) are often used for this aim, most of conventional ABPs cause the loss of original activities, and therefore are not perfectly suitable for functional analysis of labeled proteins. Ligand‐directed chemistry (LDchem) developed by our group is an alternative approach of ABPs, that can modify a surface of POI rather than its active site using a cleavable electrophile in a traceless manner. LDchem thus enables the POI labeling with a synthetic fluorophore with no or minimal effects on the original functions of POIs even in mMCC. In this review, we briefly describe a principle of LDchem for native protein labeling and summarize its recent chemical biology applications such as the imaging‐based biological analysis of POI functions and construction of POI‐based biosensors. Chemistry ; Proteome ; Computational biology ; Fluorophore ; Biochemistry ; Nanotechnology ; Fluorescence ; Biology Click Chemistry and Applications ; Biotin and Related Studies ; Advanced Proteomics Techniques and Applications
Authors: M. Bindu | Pradeepan Periyat
Source: Materials Advances (review, 2023-01-01)
Field: Materials Science — Polymers and Plastics

A review on fine-tuning of energy storage characteristics of conducting polymers This review article highlights recent trends and advances in conducting polymer-carbon nanomaterial nanocomposites for energy storage applications. The key factors influencing the energy storage performance have been discussed. Energy storage ; Polymer ; Materials science ; Energy (signal processing) ; Nanotechnology ; Engineering physics ; Engineering ; Physics ; Composite material ; Thermodynamics Conducting polymers and applications ; Supercapacitor Materials and Fabrication ; Advanced Sensor and Energy Harvesting Materials
Authors: Vanessa Wee | Amutha Chinnappan | Seeram Ramakrishna
Source: Advanced Materials Interfaces (article, 2023-05-28)
Field: Chemistry — Inorganic Chemistry

Elucidating Improvements to MIL‐101(Cr)’s Porosity and Particle Size Distributions based on Innovations and Fine‐Tuning in Synthesis Procedures Abstract Among the existing metal–organic frameworks (MOFs), MIL‐101(Cr) is renowned for its stability in air and water. As a result, MIL‐101(Cr) has numerous potential applications ranging from adsorptive cooling to catalysis. The industrial‐scale production of MIL‐101(Cr) is necessary before realizing these applications. Yet, there remain two main bottlenecks in preparing MIL‐101(Cr) in bulk: the toxicity of hydrofluoric acid (HF) used in conventional MIL‐101(Cr) synthesis and the challenge of ensuring that the as‐prepared MIL‐101(Cr) is highly porous with specific Brunauer–Emmett–Teller surface area ( S BET ) above 4000 m 2 g −1 . On the laboratory scale, MIL‐101(Cr) often presents S BET 2300–3500 m 2 g −1 . The synthesis and purification procedures often influence the yield, particle size, porosity, and other properties of MIL‐101(Cr). This critical review examines trends in MIL‐101(Cr) preparation procedures and the MOF's resulting properties to elucidate areas for improvement toward its real‐world applications. The purification processes for conventional HF‐based MIL‐101(Cr) whereby porosities vary despite the same synthesis approach are first investigated. Next, the reported additives for substituting HF and their influence on the resulting MIL‐101(Cr)’s porosity and particle size are discussed. The selection of additives may be application‐specific: exemplified in the examination of MIL‐101(Cr)’s preparation, its corresponding water sorption capacity, and desiccant‐related applications. Porosity ; Materials science ; Hydrofluoric acid ; Particle size ; Sorption ; Yield (engineering) ; Chemical engineering ; Catalysis ; Metal-organic framework ; Specific surface area ; Particle (ecology) ; Nanotechnology ; Adsorption ; Metallurgy ; Organic chemistry ; Composite material ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: Yu Jia | Shiru Wu | Xun Zhao | Zhipu Li | Xiaowei Yang | Qian Shen | Min Lü | Xiaoji Xie | Da Zhan | Jiaxu Yan
Source: Nanomaterials (review, 2023-10-27)
Field: Materials Science — Materials Chemistry

Progress on Two-Dimensional Transitional Metal Dichalcogenides Alloy Materials: Growth, Characterisation, and Optoelectronic Applications Two-dimensional (2D) transitional metal dichalcogenides (TMDs) have garnered remarkable attention in electronics, optoelectronics, and hydrogen precipitation catalysis due to their exceptional physicochemical properties. Their utilisation in optoelectronic devices is especially notable for overcoming graphene's zero-band gap limitation. Moreover, TMDs offer advantages such as direct band gap transitions, high carrier mobility, and efficient switching ratios. Achieving precise adjustments to the electronic properties and band gap of 2D semiconductor materials is crucial for enhancing their capabilities. Researchers have explored the creation of 2D alloy phases through heteroatom doping, a strategy employed to fine-tune the band structure of these materials. Current research on 2D alloy materials encompasses diverse aspects like synthesis methods, catalytic reactions, energy band modulation, high-voltage phase transitions, and potential applications in electronics and optoelectronics. This paper comprehensively analyses 2D TMD alloy materials, covering their growth, preparation, optoelectronic properties, and various applications including hydrogen evolution reaction catalysis, field-effect transistors, lithium-sulphur battery catalysts, and lasers. The growth process and characterisation techniques are introduced, followed by a summary of the optoelectronic properties of these materials. Materials science ; Nanotechnology ; Electronics ; Graphene ; Band gap ; Semiconductor ; Alloy ; Doping ; Water splitting ; Transistor ; Optoelectronics ; Catalysis ; Photocatalysis ; Voltage ; Chemistry ; Metallurgy ; Electrical engineering 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques
Authors: Peerapol Pornsetmetakul | Sorasak Klinyod | Chadatip Rodaum | Saros Salakhum | Ploychanok Iadrat | Emiel J. M. Hensen | Chularat Wattanakit
Source: ChemCatChem (article, 2023-02-20)
Field: Chemistry — Inorganic Chemistry

Fine‐Tuning Texture of Highly Acidic HZSM‐5 Zeolite for Efficient Ethanol Dehydration Abstract Achieving high and stable ethylene yield from (bio)ethanol dehydration over highly active acidic zeolite remains challenging due to undesired side‐reactions. To overcome this issue, the fine‐tuned textural property of the HZSM‐5 catalyst with a hierarchical structure is crucial to overcome diffusion restrictions and limit undesired side‐reactions. Herein, the texture of high acid catalysts obtained via hydrothermal synthesis was simply tuned in the presence of tetrabutylammonium hydroxide as a meso‐ and micropore directing agent and the controlled molar ratio of NaF‐to‐Al 2 O 3 . The hierarchically designed HZSM‐5 with the small nanosheet size of 6.5 nm exhibits a high external surface area and mesopores, largely enhancing the catalytic performance of ethanol dehydration up to 95 % ethylene yield as well as preventing the formation of heavy hydrocarbons. To gain insights into the mechanistic points of view, the in situ DRIFTS study revealed that ethylene could form through ethoxy‐mediated mechanism or decomposition of diethyl ether (DEE). The catalyst deactivation caused by polyaromatics obtained from side‐reactions is the reason for low ethanol conversion and high DEE selectivity. Reducing the crystal size of highly acidic zeolite to ultra‐thin nanosheet can shorten the residence time of ethanol, intermediates, and products in porous structures, substantially suppressing the transformation of coke precursors into heavy hydrocarbons to achieve high and stable ethylene yield. Catalysis ; Zeolite ; Mesoporous material ; Chemistry ; Ethylene ; Nanosheet ; Yield (engineering) ; Selectivity ; Dehydration ; Chemical engineering ; Inorganic chemistry ; Materials science ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies