jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: H. Rezania | E. Nourian | Mona Abdi | Bandar Astinchap
Source: RSC Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Strain and magnetic field effects on the electronic and transport properties of γ-graphyne In this paper, we apply a tightly binding Hamiltonian model in the presence of a magnetic field for investigating the electronic and transport properties of γ-graphyne layers. We also consider the effects of in-plane biaxial strain on the electronic behavior of γ-graphyne layers. Moreover the impact of strain on magnetic susceptibility and specific heat of the structure is also studied. In particular, the temperature dependence of static thermal conductivity of γ-graphyne layers due to magnetic field and strain effects is studied. We exploit the linear response theory and Green's function approach to obtain the temperature behavior of thermal conductivity, electrical conductivity and the Seebeck coefficient. Our numerical results indicate that thermal conductivity increases upon increasing temperature temperatures. This effect comes from the increasing thermal energy of charge carriers and their excitation to the conduction bands. The temperature dependence of Seebeck coefficient shows that the thermopower of an undoped γ-graphyne layer is positive on the whole range of temperatures in the absence of strain effects. The effects of both electron doping and magnetic field factors on temperature behavior of the electrical conductivity of γ-graphyne are investigated in detail. Moreover the effects of biaxial strain on thermal conductivity of single layer γ-graphyne have been addressed. Graphyne ; Strain (injury) ; Chemistry ; Field (mathematics) ; Chemical physics ; Materials science ; Condensed matter physics ; Nanotechnology ; Computational chemistry ; Physics ; Density functional theory Graphene research and applications ; Boron and Carbon Nanomaterials Research ; Topological Materials and Phenomena
Authors: Chuang Li | Qinsi Xiong | Tristan D. Clemons | Hiroaki Sai | Yang Yang | M. Hussain Sangji | Aysenur Iscen | Liam C. Palmer | George C. Schatz | Samuel I. Stupp
Source: Chemical Science (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Role of supramolecular polymers in photo-actuation of spiropyran hydrogels Supramolecular-covalent hybrid polymers have been shown to be interesting systems to generate robotic functions in soft materials in response to external stimuli. In recent work supramolecular components were found to enhance the speed of reversible bending deformations and locomotion when exposed to light. The role of morphology in the supramolecular phases integrated into these hybrid materials remains unclear. We report here on supramolecular-covalent hybrid materials that incorporate either high-aspect-ratio peptide amphiphile (PA) ribbons and fibers, or low-aspect-ratio spherical peptide amphiphile micelles into photo-active spiropyran polymeric matrices. We found that the high-aspect-ratio morphologies not only play a significant role in providing mechanical reinforcement to the matrix but also enhance photo-actuation for both light driven volumetric contraction and expansion of spiropyran hydrogels. Molecular dynamics simulations indicate that water within the high-aspect-ratio supramolecular polymers exhibits a faster draining rate as compared to those in spherical micelles, which suggests that the high-aspect-ratio supramolecular polymers effectively facilitate the transport of trapped water molecules by functioning as channels and therefore enhancing actuation of the hybrid system. Our simulations provide a useful strategy for the design of new functional hybrid architectures and materials with the aim of accelerating response and enhancing actuation by facilitating water diffusion at the nanoscopic level. Spiropyran ; Self-healing hydrogels ; Supramolecular chemistry ; Polymer ; Supramolecular polymers ; Materials science ; Nanotechnology ; Chemistry ; Polymer chemistry ; Photochromism ; Molecule ; Organic chemistry ; Composite material Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research
Authors: Giovanni Smaldone | Elisabetta Rosa | Enrico Gallo | Carlo Diaferia | Giancarlo Morelli | Mariano Stornaiuolo | Antonella Accardo
Source: Pharmaceutics (article, 2023-03-22)
Field: Materials Science — Biomaterials

Caveolin-Mediated Internalization of Fmoc-FF Nanogels in Breast Cancer Cell Lines Hydrogel nanoparticles, also known as nanogels (NGs), have been recently proposed as alternative supramolecular vehicles for the delivery of biologically relevant molecules like anticancer drugs and contrast agents. The inner compartment of peptide based NGs can be opportunely modified according to the chemical features of the cargo, thus improving its loading and release. A full understanding of the intracellular mechanism involved in nanogel uptake by cancer cells and tissues would further contribute to the potential diagnostic and clinical applications of these nanocarriers, allowing the fine tuning of their selectivity, potency, and activity. The structural characterization of nanogels were assessed by Dynamic Light Scattering (DLS) and Nanoparticles Tracking Analysis (NTA) analysis. Cells viability of Fmoc-FF nanogels was evaluated by MTT assay on six breast cancer cell lines at different incubation times (24, 48, and 72 h) and peptide concentrations (in the range 6.25 × 10<sup>-4</sup> ÷ 5·10<sup>-3</sup> × wt%). The cell cycle and mechanisms involved in Fmoc-FF nanogels intracellular uptake were evaluated using flow cytometry and confocal analysis, respectively. Fmoc-FF nanogels, endowed with a diameter of ~130 nm and a zeta potential of ~-20.0/-25.0 mV, enter cancer cells via caveolae, mostly those responsible for albumin uptake. The specificity of the machinery used by Fmoc-FF nanogels confers a selectivity toward cancer cell lines overexpressing the protein caveolin1 and efficiently performing caveolae-mediated endocytosis. Nanocarriers ; Chemistry ; Endocytosis ; Internalization ; Nanogel ; Cancer cell ; Viability assay ; Intracellular ; Flow cytometry ; Biophysics ; Cell-penetrating peptide ; Caveolae ; Endosome ; Peptide ; Cell ; Drug delivery ; Biochemistry ; Cancer ; Molecular biology ; Biology Nanoparticle-Based Drug Delivery ; Caveolin-1 and cellular processes ; Mass Spectrometry Techniques and Applications
Authors: Limin Pan | Haibao Peng | Bowon Lee | Jiaxu Zhao | Xiulian Shen | Ximei Yan | Yipeng Hua | Jeonghyun Kim | Dokyoon Kim | Mouhong Lin | Shengjian Zhang | Xiaohui Li | Xueying Yi | Feibai Yao | Zhiyong Qin | Jiulin Du | Yudan Chi | Jwa‐Min Nam | Taeghwan Hyeon | Jianan Liu
Source: Advanced Materials (article, 2023-08-29)
Field: Materials Science — Materials Chemistry

Cascade Catalytic Nanoparticles Selectively Alkalize Cancerous Lysosomes to Suppress Cancer Progression and Metastasis Abstract Lysosomes are critical in modulating the progression and metastasis for various cancers. There is currently an unmet need for lysosomal alkalizers that can selectively and safely alter the pH and inhibit the function of cancer lysosomes. Here an effective, selective, and safe lysosomal alkalizer is reported that can inhibit autophagy and suppress tumors in mice. The lysosomal alkalizer consists of an iron oxide core that generates hydroxyl radicals (•OH) in the presence of excessive H + and hydrogen peroxide inside cancer lysosomes and cerium oxide satellites that capture and convert •OH into hydroxide ions. Alkalized lysosomes, which display impaired enzyme activity and autophagy, lead to cancer cell apoptosis. It is shown that the alkalizer effectively inhibits both local and systemic tumor growth and metastasis in mice. This work demonstrates that the intrinsic properties of nanoparticles can be harnessed to build effective lysosomal alkalizers that are both selective and safe. Hydrogen peroxide ; Autophagy ; Metastasis ; Cancer cell ; Cancer ; Hydroxide ; Cancer research ; Cell biology ; Biophysics ; Materials science ; Apoptosis ; Chemistry ; Biochemistry ; Biology ; Organic chemistry Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Carbon and Quantum Dots Applications
Authors: Gyoung S. Na
Source: Chemistry of Materials (article, 2023-09-21)
Field: Materials Science — Materials Chemistry

Artificial Intelligence for Learning Material Synthesis Processes of Thermoelectric Materials Various calculation-based and data-driven methods have been proposed to discover high-performance thermoelectric materials for sustainable energy resources. However, although several data-driven methods successfully discovered the chemical compositions of promising thermoelectric materials, the practical potential of the existing methods is still limited because there is a complex engineering problem between the discovered materials and real-world material synthesis. To tackle the engineering problem in material synthesis, we propose a multimodal graph-to-sequence model that predicts necessary synthesis operations and their engineering conditions from the chemical compositions of the precursor and desired product materials. For an experimental evaluation of the proposed method, we constructed a benchmark dataset containing precursor materials, product materials, and synthesis processes of 771 unique thermoelectric materials. The proposed method achieved the prediction accuracy greater than 0.85 in Jaccard similarity and F1-score in a task of predicting material synthesis processes on the benchmark dataset. Furthermore, the proposed method successfully generated material synthesis recipes described in the human language via large language models (LLMs). The collected thermoelectric dataset and the source code of the proposed method are publicly available at https://github.com/ngs00/spende. Computer science ; Jaccard index ; Benchmark (surveying) ; Thermoelectric effect ; Thermoelectric materials ; Product (mathematics) ; Task (project management) ; Process engineering ; Artificial intelligence ; Systems engineering ; Engineering ; Mathematics Advanced Thermoelectric Materials and Devices ; Machine Learning in Materials Science
Authors: Shubham Jaiswal | Jeet Vishwakarma | Shubham Bhatt | Saheb Karak | Pankaj Bharti | Chetna Dhand | Rajeev Kumar | Pradip Kumar | Mohammad S. M. Saifullah | Surajit Saha | Rahul Mishra | Neeraj Dwivedi
Source: Advanced Engineering Materials (article, 2023-06-09)
Field: Materials Science — Materials Chemistry

Layered Titanium Carbide‐Mediated Fast Shape Switching and Excellent Thermal and Electrical Transport in Shape‐Memory‐Polymer Composites for Smart Technologies: MAX Versus MXene Stimuli‐responsive materials can frequently tune between their temporary and original shapes, and have the potential for artificial intelligence‐based technologies in robotics, aerospace, biomedical, engineering, security, etc. Shape memory polymers (SMPs) are promising for these technologies but their inadequate thermal and electrical characteristics causing slow shape recovery limit their practical applications. Herein, for the first time, comprehensively and precisely the shape memory polyurethane (PU), a promising SMP, via a variety of novel layered titanium carbides fillers, namely, Ti 2 AlC (MAX 1 ), Ti 3 AlC 2 (MAX 2 ), and Ti 3 C 2 (MXene), is engineered. The resultant PU‐composites show 30–50% faster shape recovery in different environments, 20–25% greater extent of shape recovery in the load‐constrained environment, 100–125% higher thermal conductivity, and 700–16 000× higher electrical current. Importantly, the reinforcement of even a small amount of MAX and MXene (such as 0.25 wt%) has largely boosted the performance of PU. Considering ease of processability and performance enhancement factors, the MAX‐phase fillers may be preferred over MXene‐phase fillers for next‐generation composites development. Employing PU composite component as both heat‐sensor and actuator, a unique heat detector/fire alarm device that works successfully in simulated heat and fire environments is demonstrated. This work is crucial for enabling futuristic technologies. Materials science ; Shape-memory alloy ; Shape-memory polymer ; Composite material ; Aerospace ; Smart material ; Composite number ; Titanium carbide ; Actuator ; Thermal conductivity ; Smart polymer ; Carbide ; Thermal ; Polymer ; Computer science ; Aerospace engineering ; Artificial intelligence MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Polymer composites and self-healing
Authors: Lok Kumar Shrestha | Rekha Goswami Shrestha | Sabina Shahi | Chhabi Lal Gnawali | Mandira Pradhananga Adhikari | Biswa Nath Bhadra | Katsuhiko Ariga
Source: Journal of Oleo Science (review, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Biomass Nanoarchitectonics for Supercapacitor Applications Nanoarchitectonics integrates nanotechnology with numerous scientific disciplines to create innovative and novel functional materials from nano-units (atoms, molecules, and nanomaterials). The objective of nanoarchitectonics concept is to develop functional materials and systems with rationally architected functional units. This paper explores the progress and potential of this field using biomass nanoarchitectonics for supercapacitor applications as examples of energetic materials and devices. Strategic design of nanoporous carbons that exhibit ultra-high surface area and hierarchically pore architectures comprising micro- and mesopore structure and controlled pore size distributions are of great significance in energy-related applications, including in high-performance supercapacitors, lithium-ion batteries, and fuel cells. Agricultural wastes or natural biomass are lignocellulosic materials and are excellent carbon sources for the preparation of hierarchically porous carbons with an ultra-high surface area that are attractive materials in high-performance supercapacitor applications due to high electrical and ion conduction, extreme porosity, and exceptional chemical and thermal stability. In this review, we will focus on the latest advancements in the fabrication of hierarchical porous carbon materials from different biomass by chemical activation method. Particularly, the importance of biomass-derived ultra-high surface area porous carbons, hierarchical architectures with interconnected pores in high-energy storage, and high-performance supercapacitors applications will be discussed. Finally, the current challenges and outlook for the further improvement of carbon materials derived from biomass or agricultural wastes in the advancements of supercapacitor devices will be discussed. Supercapacitor ; Nanotechnology ; Materials science ; Energy storage ; Biomass (ecology) ; Capacitance ; Chemistry ; Power (physics) Supercapacitor Materials and Fabrication ; Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science
Authors: Eduardo Ruiz‐Hitzky | Cristina Ruiz‐García
Source: Nanoscale (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

MXenes <i>vs.</i> clays: emerging and traditional 2D layered nanoarchitectonics Although MXene materials are considered an emerging research topic, they are receiving considerable interest because, like metals and graphene, they are good electronic conductors but with the particularity that they have a marked hydrophilic character. Having a structural organization and properties close to those of clay minerals (natural silicates typically with a lamellar morphology), they are sometimes referred to as "conducting clays" and exhibit colloidal, surface and intercalation properties also similar to those of clay minerals. The present contribution aims to inform and discuss the nature of MXenes in comparison with clay phyllosilicates, taking into account their structural analogies, outstanding surface properties and advanced applications. The current in-depth understanding of clay minerals may represent a basis for the future development of MXene-derived nanoarchitectures. Comparative examples of the preparation, and studies on the properties and applications of various nanoarchitectures based on clays and MXenes have been included in the present work. MXenes ; Materials science ; Nanotechnology MXene and MAX Phase Materials ; Graphene research and applications ; Graphene and Nanomaterials Applications
Authors: Darren Yi Sern Low | Janarthanan Supramaniam | W.D. Leong | Apinan Soottitantawat | Tawatchai Charinpanitkul | Wiwut Tanthapanichakoon | Sivakumar Manickam | Kwan Wee Tan | Bey Hing Goh | Simon Y. Tang
Source: Materials Today Sustainability (article, 2023-09-13)
Field: Materials Science — Polymers and Plastics

Self-healing synthetic rubber composites: review of recent progress and future directions towards sustainability Synthetic rubber materials find extensive use in various applications in our daily lives. However, microcracks and tears over time can lead to wear-and-tear, material fatigue, and eventual failure, reducing their lifespan. To address this issue, self-healing technology inspired by nature, promises to detect and autonomously repaire material defects before propagating to larger areas. The innovative technology offers improved reliability, enhanced durability, increased product safety, and reduced resource consumption for developing next-generation of materials. Consequently, there has been significant interest in exploring self-healing technology to create a robust combination of synthetic rubber materials suitable for industrial applications. This review aims to provide an overview of the fundamental concepts of self-healing materials, the stimuli employed to enhance the healing performance of synthetic rubber materials, and the mechanisms used to confer self-healing properties on them. Furthermore, recent advancements in this field related to healing performance and conditions are assessed, followed by a discussion of possible commercial applications and the prospects of commercialising these materials. The review concludes by addressing the challenges self-healing synthetic rubber composites face and highlighting future directions for applying this advanced technology to achieve sustainable production. Self-healing ; Sustainability ; Natural rubber ; Durability ; Materials science ; Risk analysis (engineering) ; Computer science ; Construction engineering ; Engineering ; Business ; Medicine ; Composite material Polymer composites and self-healing ; Conducting polymers and applications ; Polymer Nanocomposites and Properties
Authors: Rabia Koçak | Melih Okçu | Kamil Haliloğlu | Aras Türkoğlu | Alireza Pour‐Aboughadareh | Bita Jamshidi | Tibor Janda | Azize Alaylı | Hayrünnisa Nadaroğlu
Source: Agronomy (article, 2023-06-19)
Field: Materials Science — Materials Chemistry

Magnesium Oxide Nanoparticles: An Influential Element in Cowpea (Vigna unguiculata L. Walp.) Tissue Culture Nanotechnology is a rapidly growing field of science and technology that deals with the development of new solutions by understanding and controlling matter at the nanoscale. Since the last decade, magnesium oxide nanoparticles (MgO-NPs) have gained tremendous attention because of their unique characteristics and diverse applications in materials sciences and because they are non-toxic and relatively cheaply available materials. MgO-NPs can improve plant growth and contribute to plant tolerance of heavy metal toxicity. The effects of MgO-NPs on cowpea (Vigna unguiculata L. Walp.) plants were surveyed under in vitro conditions to find the optimum combination for cowpea tissue culture. The MgO-NPs used in the study were synthesized using walnut shell extract by the green synthesis method. MgO nanoparticles with 35–40 nm size was used in this research. When the size distribution of the MgO-NPs’ structure was examined, two peaks with 37.8 nm and 78.8 nm dimensions were obtained. The zeta potential of MgO-NPs dispersed in water was measured around −13.3 mV on average. The results showed that different doses of MgO-NPs applied to cowpea plant on all in vitro parameters significantly affected all measured parameters of cowpea plantlets under in vitro condition in a positive way. The best results in morphogenesis were MS medium supplemented with high MgO-NP applications (555 mg/L), resulting in a 25% increase in callus formation. The addition of Mg-NPs in the induction medium at concentrations at 370 mg/L increased shoot multiplication. The highest root length with 1.575 cm was obtained in MS medium containing 370 mg/L MgO. This study found that MgO-NPs greatly influenced the plantlets’ growth parameters and other measured traits; in addition, our results indicate that the efficiency of tissue culture of cowpea could be improved by increased application of MgO in the form of nanoparticles. In conclusion, the present work highlights the possibility of using MgO-NPs in cowpea tissue culture. Vigna ; Magnesium ; Nanoparticle ; Shoot ; Callus ; In vitro ; Chemistry ; Materials science ; Horticulture ; Nuclear chemistry ; Nanotechnology ; Biology ; Metallurgy ; Biochemistry Nanoparticles: synthesis and applications ; Seed Germination and Physiology
Authors: Eli K. C. Moens | Yoshi W. Marien | Freddy L. Figueira | Alessandro D. Trigilio | Kyann De Smit | Kevin M. Van Geem | Paul Van Steenberge | Dagmar D’hooge
Source: Chemical Engineering Journal (article, 2023-09-16)
Field: Materials Science — Polymers and Plastics

Coupled matrix-based Monte Carlo modeling for a mechanistic understanding of poly (methyl methacrylate) thermochemical recycling kinetics Thermogravimetric analysis ; Kinetic Monte Carlo ; Arrhenius equation ; Monte Carlo method ; Elementary reaction ; Thermodynamics ; Chemistry ; Disproportionation ; Materials science ; Kinetics ; Physical chemistry ; Organic chemistry ; Physics ; Activation energy ; Catalysis ; Mathematics Polymer crystallization and properties ; Recycling and Waste Management Techniques ; Thermal and Kinetic Analysis
Authors: Linfeng Dong | Shengzi Zhang | Pifu Gong | Fei Liang | Zheshuai Lin
Source: Inorganic Chemistry Frontiers (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

AgIn<sub>5</sub>Se<sub>8</sub>: a defect diamond-like non-linear optical selenide A defect diamond-like mid-IR NLO material, AgIn 5 Se 8 , is synthesized and its NLO performance has been systematically studied for the first time. Diamond ; Selenide ; Materials science ; Optoelectronics ; Chemical physics ; Chemistry ; Metallurgy ; Selenium Crystal Structures and Properties ; Nonlinear Optical Materials Research ; High-pressure geophysics and materials
Authors: Su Ma | Yawei Qi | Ge Mu | Menglu Chen | Xin Tang
Source: Coatings (article, 2023-01-13)
Field: Materials Science — Materials Chemistry

Multi-Color Light-Emitting Diodes Multi-color light-emitting diodes (LEDs) with various advantages of color tunability, self-luminescence, wide viewing angles, high color contrast, low power consumption, and flexibility provide a wide range of applications including full-color display, augmented reality/virtual reality technology, and wearable healthcare systems. In this review, we introduce three main types of multi-color LEDs: the organic LED, colloidal quantum dots (CQDs) LED, and CQD–organic hybrid LED. Various strategies for realizing multi-color LEDs are discussed including red, green, and blue sub-pixel side-by-side arrangement; vertically stacked LED unit configuration; and stacked emitter layers in a single LED. Finally, according to their status and challenges, we present an outlook of multi-color devices. We hope this review can inspire researchers and make a contribution to the further improvement of multi-color LED technology. Light-emitting diode ; Optoelectronics ; Backlight ; Materials science ; Common emitter ; Flexibility (engineering) ; Computer science ; Diode ; Quantum dot ; LED display ; Wearable computer ; Liquid-crystal display ; Embedded system Quantum Dots Synthesis And Properties ; Organic Light-Emitting Diodes Research ; Nanocluster Synthesis and Applications