jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jian Guan | Tan Huang | Wei Liu | Fan Feng | Susilo Japip | Jiali Li | Ji Wu | Xiaonan Wang | Sui Zhang
Source: Cell Reports Physical Science (article, 2022-04-21)
Field: Chemistry — Inorganic Chemistry

Design and prediction of metal organic framework-based mixed matrix membranes for CO2 capture via machine learning Mixed matrix membranes (MMMs) based on metal organic frameworks (MOFs) have been extensively studied for carbon capture to combat global warming. Here we report the introduction of machine learning to get more insights. Random forest models are first trained by literature data on CO2/CH4 separation, which reveal the optimum MOF structure with pore size >1 nm and surface area of ∼800 m2 g−1. Then, representative MOFs are blended into Pebax-2533 and polymer of intrinsic microporosity-1 to fabricate MMMs. The membranes demonstrate CO2 separation performances that not only agree well with model prediction, but also exceed the 2008 Robeson upper bound. In addition, knowledge transfer from CO2/CH4 to CO2/N2 separations shows better agreement with literature data compared to direct modeling, so it enables fast and resource-saving machine learning. This work applies machine learning to solve domain-specific problems and may provide implications for other membrane development. Membrane ; Metal-organic framework ; Matrix (chemical analysis) ; Work (physics) ; Materials science ; Transfer of learning ; Computer science ; Artificial intelligence ; Random forest ; Polymer ; Process engineering ; Machine learning ; Engineering ; Mechanical engineering ; Chemistry ; Composite material ; Adsorption ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: M. I. A. Abdel Maksoud | Mohamed Mohamady Ghobashy | Ahmad S. Kodous | Ramy Amer Fahim | Ahmed I. Osman | Ala’a H. Al‐Muhtaseb | David W. Rooney | Mohamed A. Mamdouh | Norhan Nady | Ahmed Ashour
Source: Nanotechnology Reviews (article, 2022-01-01)
Field: Materials Science — Biomaterials

Insights on magnetic spinel ferrites for targeted drug delivery and hyperthermia applications Abstract Magnetic spinel ferrite nanoparticles (SFNPs) attract high scientific attention from researchers due to their broad area for biomedicine applications, comprising cancer magnetic hyperthermia and targeted drug delivery. Uniquely, its excellent performance, namely, tuning size and surface morphology, excellent magnetism, extraordinary magnetically heat induction, promising biocompatibility, and specific targeting capacity, is essential for their effective utilization in clinical diagnosis and therapeutics of diseases. This review emphasizes the anticancer properties of nanoparticles of spinel ferrites with extra focus on the most recent literature. A critical review is provided on the latest applications of SFNPs in cancer therapy. Based on the results obtained from this review, SFNPs have the indefinite ability in cancer therapy through two mechanisms: (1) hyperthermia, where SFNPs, used as a hyperthermia mediator, elevated the tumor cells heat post-exposure to an external magnetic field and radiosensitizer during cancer radiotherapy; and (2) targeted drug delivery of cytotoxic drugs in tumor treatment. SFNPs induced apoptosis and cell death of cancer cells and prevented cancer cell proliferation. Hyperthermia ; Magnetic hyperthermia ; Drug delivery ; Nanotechnology ; Cancer research ; Radiosensitizer ; Medicine ; Magnetic nanoparticles ; Targeted drug delivery ; Cancer ; Radiation therapy ; Cancer cell ; Materials science ; Nanoparticle ; Internal medicine Nanoparticle-Based Drug Delivery ; Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications
Authors: Dongliang Ding | Ruoyu Huang | Xu Wang | Shiyu Zhang | Ya Wu | Xueao Zhang | Guangzhao Qin | Zhen‐Guo Liu | Qiuyu Zhang | Yanhui Chen
Source: Chemical Engineering Journal (article, 2022-03-28)
Field: Materials Science — Materials Chemistry

Thermally conductive silicone rubber composites with vertically oriented carbon fibers: A new perspective on the heat conduction mechanism Composite material ; Materials science ; Silicone rubber ; Thermal conductivity ; Composite number ; Thermal conduction ; Electrical conductor ; Carbon black ; Natural rubber Thermal properties of materials ; Thermal Radiation and Cooling Technologies ; Heat Transfer and Optimization
Authors: Erika Michela Dematteis | Mads B. Amdisen | Tom Autrey | Jussara Barale | Mark Bowden | Craig E. Buckley | Young Whan Cho | Stefano Deledda | Martin Dornheim | Petra E. de Jongh | Jakob B. Grinderslev | Gökhan Gizer | Valerio Gulino | Bjørn C. Hauback | Michael Heere | Tae Wook Heo | Terry D. Humphries | Torben R. Jensen | ShinYoung Kang | Young‐Su Lee | Haiwen Li | Sichi Li | Kasper T. Møller | Peter Ngene | Shin‐ichi Orimo | Mark Paskevicius | Marek Polański | Shigeyuki Takagi | Liwen F. Wan | Brandon C. Wood | Michael Hirscher | Marcello Baricco
Source: Progress in Energy (article, 2022-05-30)
Field: Materials Science — Materials Chemistry

Hydrogen storage in complex hydrides: past activities and new trends Abstract Intense literature and research efforts have focussed on the exploration of complex hydrides for energy storage applications over the past decades. A focus was dedicated to the determination of their thermodynamic and hydrogen storage properties, due to their high gravimetric and volumetric hydrogen storage capacities, but their application has been limited because of harsh working conditions for reversible hydrogen release and uptake. The present review aims at appraising the recent advances on different complex hydride systems, coming from the proficient collaborative activities in the past years from the research groups led by the experts of the Task 40 ‘Energy Storage and Conversion Based on Hydrogen’ of the Hydrogen Technology Collaboration Programme of the International Energy Agency. An overview of materials design, synthesis, tailoring and modelling approaches, hydrogen release and uptake mechanisms and thermodynamic aspects are reviewed to define new trends and suggest new possible applications for these highly tuneable materials. Hydrogen storage ; Hydrogen ; Environmental science ; Chemistry ; Materials science ; Organic chemistry Hydrogen Storage and Materials ; Hybrid Renewable Energy Systems ; Spacecraft and Cryogenic Technologies
Authors: Muhammad Ahsan Saeed | Asif Shahzad | Kashif Rasool | Fahad Mateen | Jae‐Min Oh | Jae Won Shim
Source: Advanced Science (review, 2022-02-15)
Field: Materials Science — Materials Chemistry

2D MXene: A Potential Candidate for Photovoltaic Cells? A Critical Review The 2D transition metal carbides/nitrides (2D MXenes) are a versatile class of 2D materials for photovoltaic (PV) systems. The numerous advantages of MXenes, including their excellent metallic conductivity, high optical transmittance, solution processability, tunable work-function, and hydrophilicity, make them suitable for deployment in PV technology. This comprehensive review focuses on the synthesis methodologies and properties of MXenes and MXene-based materials for PV systems. Titanium carbide MXene (Ti<sub>3</sub> C<sub>2</sub> T<sub>x</sub> ), a well-known member of the MXene family, has been studied in many PV applications. Herein, the effectiveness of Ti<sub>3</sub> C<sub>2</sub> T<sub>x</sub> as an additive in different types of PV cells, and the synergetic impact of Ti<sub>3</sub> C<sub>2</sub> T<sub>x</sub> as an interfacial material on the photovoltaic performance of PV cells, are systematically examined. Subsequently, the utilization of Ti<sub>3</sub> C<sub>2</sub> T<sub>x</sub> as a transparent conductive electrode, and its influence on the stability of the PV cells, are discussed. This review also considers problems that emerged from previous studies, and provides guidelines for the further exploration of Ti<sub>3</sub> C<sub>2</sub> T<sub>x</sub> and other members of the 2D MXene family in PV technology. This timely study is expected to provide comprehensive understanding of the current status of MXenes, and to set the direction for the future development in 2D material design and processing for PVs. Photovoltaic system ; Materials science ; Environmental science ; Nanotechnology ; Engineering ; Electrical engineering MXene and MAX Phase Materials ; 2D Materials and Applications ; Energy Harvesting in Wireless Networks
Authors: Maryam Beiranvand | Saeed Farhadi | Abdolnasar Mohammadi-Gholami
Source: RSC Advances (article, 2022-01-01)
Field: Chemistry — Inorganic Chemistry

Adsorptive removal of tetracycline and ciprofloxacin drugs from water by using a magnetic rod-like hydroxyapatite and MIL-101(Fe) metal–organic framework nanocomposite A novel porous nanocomposite composed of hydroxyapatite nanorods (HAP), a MIL-101(Fe) metal-organic framework, and Fe<sub>3</sub>O<sub>4</sub> nanoparticles was successfully fabricated in this work. The magnetic HAP/MIL-101(Fe)/Fe<sub>3</sub>O<sub>4</sub> ternary nanocomposite was identified by various techniques, namely FT-IR spectroscopy, XRD, Raman spectroscopy, SEM, EDX, TEM, BET specific surface area, zeta potential, and VSM measurements. Tetracycline (TC) and ciprofloxacin (CIP) aqueous solutions were used to evaluate the adsorption performance of the resulting HAP/MIL-101(Fe)/Fe<sub>3</sub>O<sub>4</sub> composite. The adsorption rate and capacity of HAP/MIL-101(Fe)/Fe<sub>3</sub>O<sub>4</sub> were increased as compared with HAP, MIL-101(Fe), and HAP/MIL-101(Fe) samples due to the increased attraction. The influence of initial drug concentration, adsorbent dosage, temperature, and pH on the adsorption process was investigated. The results showed that the removal efficiencies of HAP/MIL-101(Fe)/Fe<sub>3</sub>O<sub>4</sub> for TC and CIP were 95% and 93%, under the determined optimum conditions: pH of 7, drug concentration of 50 mg L<sup>-1</sup>, adsorbent dosage of 30 mg, and temperature of 25 °C. The maximum adsorption capacities of HAP/MIL-101(Fe)/Fe<sub>3</sub>O<sub>4</sub> for TC and CIP were 120.48 mg g<sup>-1</sup> and 112.35 mg g<sup>-1</sup>, respectively. Reusability of the prepared nanocomposite was easily achieved up to three times without significant change in its structure. As a result, the synthesized magnetic nanocomposite can be reused as a suitable absorbent for TC and CIP removal from aqueous solutions. Nanocomposite ; Metal-organic framework ; Tetracycline ; Ciprofloxacin ; Chemistry ; Metal ; Nuclear chemistry ; Chemical engineering ; Inorganic chemistry ; Materials science ; Adsorption ; Nanotechnology ; Antibiotics ; Organic chemistry ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Graphene and Nanomaterials Applications
Authors: Meisam Esfandiari | Ali Lalbakhsh | Paria Nasiri Shehni | Saughar Jarchi | Mohsen Ghaffari‐Miab | Hamideh Noori Mahtaj | Sam Reisenfeld | Mohammad Alibakhshikenari | Sławomir Kozieł | Stanisław Szczepański
Source: Materials & Design (article, 2022-07-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent and emerging applications of Graphene-based metamaterials in electromagnetics Surface Plasmon Polaritons (SPPs) operating in mid-infrared up to terahertz (THz) frequencies have been traditionally manufactured on expensive metals such as gold, silver, etc. However, such metals have poor surface confinement that limits the optical applications of SPPs. The invention of graphene is a breakthrough in plasmon-based devices in terms of design, fabrication and applications, thanks to its plasmonic wave distribution, low-cost prototyping and its inherent reconfigurability. In addition, recent advancements in plasmon-based metamaterials and metasurfaces led to the elimination of the past constraints on regular optical devices, opening a new door in THz devices and applications. This paper provides an operational perspective of the advanced graphene-based electromagnetic devices, with a focus on graphene enabled antennas, absorbers and sensors, analyzing the strengths and limitations of various design methodologies. Reconfigurability ; Metamaterial ; Materials science ; Terahertz radiation ; Graphene ; Plasmon ; Surface plasmon polariton ; Fabrication ; Nanotechnology ; Electromagnetics ; Optoelectronics ; Surface plasmon ; Nanophotonics ; Engineering physics ; Computer science ; Engineering ; Telecommunications Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Advanced Antenna and Metasurface Technologies
Authors: Wenwen Fei | Jens Trommer | Max C. Lemme | Thomas Mikolajick | André Heinzig
Source: InfoMat (review, 2022-08-23)
Field: Materials Science — Materials Chemistry

Emerging reconfigurable electronic devices based on two‐dimensional materials: A review Abstract As the dimensions of the transistor, the key element of silicon technology, are approaching their physical limits, developing semiconductor technology with novel concepts and materials has been the main focus of scientific research and industry. In recent years, emerging reconfigurable technologies that offer device‐level run‐time reconfigurability have been explored and shown the potential to enhance device and circuit functions. Two‐dimensional (2D) materials possess exquisite electronic properties and provide a suitable platform for reconfigurable technology owing to their atomic‐thin thickness and high sensitivity to external electrical fields. In this review, we present an intensive survey of 2D‐material‐based devices with diverse reconfigurability, including carrier polarity, threshold voltage control, as well as multifunctional configurations enabled by 2D heterostructures. We discuss the working principles for these devices in detail and highlight the important figures of merit for performance improvement. We further provide a forward‐looking perspective on the opportunities and challenges of these reconfigurable devices based on 2D materials in the field of computing technologies. image Reconfigurability ; Computer science ; Transistor ; Key (lock) ; Electronics ; Nanotechnology ; Field (mathematics) ; Emerging technologies ; Electronic engineering ; Computer architecture ; Electrical engineering ; Materials science ; Voltage ; Engineering ; Telecommunications 2D Materials and Applications ; Advanced Memory and Neural Computing ; Ferroelectric and Negative Capacitance Devices
Authors: Josef Maroušek | Anna Maroušková | Rajiv Periakaruppan | G. M. Gokul | A. Anbukumaran | Andrea Bohatá | Pavel Kříž | Jan Bárta | Pavel Černý | Pavel Olšan
Source: Polymers (article, 2022-01-10)
Field: Materials Science — Materials Chemistry

Silica Nanoparticles from Coir Pith Synthesized by Acidic Sol-Gel Method Improve Germination Economics Lignin is a natural biopolymer. A vibrant and rapid process in the synthesis of silica nanoparticles by consuming the lignin as a soft template was carefully studied. The extracted biopolymer from coir pith was employed as capping and stabilizing agents to fabricate the silica nanoparticles (<sub>n</sub>Si). The synthesized silica nanoparticles (<sub>n</sub>Si) were characterized by ultraviolet-visible (UV-Vis) spectrophotometry, X-ray diffraction analysis (XRD), Scanning Electron Microscope (SEM), Energy-Dispersive X-ray Analysis (EDAX), Dynamic Light Scattering (DLS) and Fourier-Transform Infrared Spectroscopy (FTIR). All the results obtained jointly and independently verified the formation of silica nanoparticles. In addition, EDAX analysis confirmed the high purity of the <sub>n</sub>Si composed only of Si and O, with no other impurities. XRD spectroscopy showed the characteristic diffraction peaks for <sub>n</sub>Si and confirmed the formation of an amorphous nature. The average size of <sub>n</sub>Si obtained is 18 nm. The surface charge and stability of <sub>n</sub>Si were analyzed by using the dynamic light scattering (DLS) and thus revealed that the <sub>n</sub>Si samples have a negative charge (-20.3 mV). In addition, the seed germination and the shoot and root formation on <i>Vigna unguiculata</i> were investigated by using the <sub>n</sub>Si. The results revealed that the application of <sub>n</sub>Si enhanced the germination in <i>V. unguiculata</i>. However, further research studies must be performed in order to determine the toxic effect of biogenic <sub>n</sub>Si before mass production and use of agricultural applications. Dynamic light scattering ; Fourier transform infrared spectroscopy ; Materials science ; Nanoparticle ; Scanning electron microscope ; Spectroscopy ; Nuclear chemistry ; Lignin ; Biopolymer ; Chemical engineering ; Analytical Chemistry (journal) ; Chemistry ; Nanotechnology ; Polymer ; Chromatography ; Organic chemistry ; Composite material Nanoparticles: synthesis and applications ; Silicon Effects in Agriculture ; Clay minerals and soil interactions
Authors: Е. В. Антина | Natalia A. Bumagina | Yuriy S. Marfin | Г. Б. Гусева | Л. Е. Никитина | Dmitrii A. Sbytov | Felix Y. Telegin
Source: Molecules (review, 2022-02-18)
Field: Materials Science — Materials Chemistry

BODIPY Conjugates as Functional Compounds for Medical Diagnostics and Treatment Fluorescent dyes absorbing and emitting in the visible and near-IR regions are promising for the development of fluorescent probes for labeling and bio-visualization of body cells. The ability to absorb and emit in the long-wavelength region increases the efficiency of recording the spectral signals of the probes due to the higher permeability of the skin layers. Compared to other fluorescent dyes, BODIPYs are attractive due to their excellent photophysical properties-narrow absorption and emission, intense fluorescence, simple signal modulation for the practical applications. As part of conjugates with biomolecules, BODIPY could act as a biomarker, but as therapeutic agent, which allows solving several problems at once-labeling or bioimaging and treatment based on the suppression of pathogenic microflora and cancer cells, which provides a huge potential for practical application of BODIPY conjugates in medicine. The review is devoted to the discussion of the recent, promising directions of BODIPY application in the field of conjugation with biomolecules. The first direction is associated with the development of BODIPY conjugates with drugs, including compounds of platinum, paclitaxel, chlorambucil, isoxazole, capsaicin, etc. The second direction is devoted to the labeling of vitamins, hormones, lipids, and other biomolecules to control the processes of their transport, localization in target cells, and metabolism. Within the framework of the third direction, the problem of obtaining functional optically active materials by conjugating BODIPY with other colored and fluorescent particles, in particular, phthalocyanines, is being solved. BODIPY ; Conjugate ; Chemistry ; Combinatorial chemistry ; Pharmacology ; Nanotechnology ; Medicine ; Fluorescence ; Materials science Luminescence and Fluorescent Materials ; Porphyrin and Phthalocyanine Chemistry ; Nanoplatforms for cancer theranostics
Authors: Aqib Hassan Ali Khan | Amna Kiyani | Mario Santiago-Herrera | Jesús Ibáñez | Sohail Yousaf | Mazhar Iqbal | Sonia Martel-Martín | Rocío Barros
Source: Journal of Environmental Management (review, 2022-11-21)
Field: Materials Science — Materials Chemistry

Sustainability of phytoremediation: Post-harvest stratagems and economic opportunities for the produced metals contaminated biomass Heavy metals (HMs) are indestructible and non-biodegradable. Phytoremediation presents an opportunity to transfer HMs from environmental matrices into plants, making it easy to translocate from one place to another. The ornate features of HMs' phytoremediation are biophilia and carbon neutrality, compared to the physical and chemical remediation methods. Some recent studies related to LCA also support that phytoremediation is technically more sustainable than competing technologies. However, one major post-application challenge associated with HMs phytoremediation is properly managing HMs contaminated biomass generated. Such a yield presents the problem of reintroducing HMs into the environment due to natural decomposition and release of plant sap from the harvested biomass. The transportation of high yields can also make phytoremediation economically inviable. This review presents the design of a sustainable phytoremediation strategy using an ever-evolving life cycle assessment tool. This review also discusses possible post-phytoremediation biomass management strategies for the HMs contaminated biomass management. These strategies include composting, leachate compaction, gasification, pyrolysis, torrefaction, and metal recovery. Further, the commercial outlook for properly utilizing HMs contaminated biomass was presented. Phytoremediation ; Biomass (ecology) ; Environmental science ; Environmental remediation ; Phytoextraction process ; Waste management ; Leachate ; Sustainability ; Contamination ; Hyperaccumulator ; Engineering ; Agronomy ; Ecology Nanoparticles: synthesis and applications ; Constructed Wetlands for Wastewater Treatment ; Wastewater Treatment and Reuse
Authors: Yujie Ma | Wanpeng Lu | Xue Han | Yinlin Chen | Iván da Silva | Daniel Lee | Alena M. Sheveleva | Zi Wang | Jiangnan Li | Weiyao Li | Mengtian Fan | Shaojun Xu | Floriana Tuna | Eric J. L. McInnes | Yongqiang Cheng | Svemir Rudić | Pascal Manuel | Mark D. Frogley | Anibal J. Ramirez‐Cuesta | Martin Schröder | Sihai Yang⧫
Source: Journal of the American Chemical Society (article, 2022-05-09)
Field: Chemistry — Inorganic Chemistry

Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites The presence of active sites in metal-organic framework (MOF) materials can control and affect their performance significantly in adsorption and catalysis. However, revealing the interactions between the substrate and active sites in MOFs at atomic precision remains a challenging task. Here, we report the direct observation of binding of NH<sub>3</sub> in a series of UiO-66 materials containing atomically dispersed defects and open Cu(I) and Cu(II) sites. While all MOFs in this series exhibit similar surface areas (1111-1135 m<sup>2</sup> g<sup>-1</sup>), decoration of the -OH site in UiO-66-defect with Cu(II) results in a 43% enhancement of the isothermal uptake of NH<sub>3</sub> at 273 K and 1.0 bar from 11.8 in UiO-66-defect to 16.9 mmol g<sup>-1</sup> in UiO-66-Cu<sup>II</sup>. A 100% enhancement of dynamic adsorption of NH<sub>3</sub> at a concentration level of 630 ppm from 2.07 mmol g<sup>-1</sup> in UiO-66-defect to 4.15 mmol g<sup>-1</sup> in UiO-66-Cu<sup>II</sup> at 298 K is observed. <i>In situ</i> neutron powder diffraction, inelastic neutron scattering, and electron paramagnetic resonance, solid-state nuclear magnetic resonance, and infrared spectroscopies, coupled with modeling reveal that the enhanced NH<sub>3</sub> uptake in UiO-66-Cu<sup>II</sup> originates from a {Cu(II)···NH<sub>3</sub>} interaction, with a reversible change in geometry at Cu(II) from near-linear to trigonal coordination. This work represents the first example of structural elucidation of NH<sub>3</sub> binding in MOFs containing open metal sites and will inform the design of new efficient MOF sorbents by targeted control of active sites for NH<sub>3</sub> capture and storage. Chemistry ; Adsorption ; Metal-organic framework ; Paramagnetism ; Electron paramagnetic resonance ; Crystallography ; Neutron diffraction ; Physical chemistry ; Crystal structure ; Nuclear magnetic resonance Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced NMR Techniques and Applications