jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Prawez Alam | Faiyaz Shakeel | Abuzer Ali | Mohammed H. Alqarni | Ahmed I. Foudah | Tariq M. Aljarba | Faisal K. Alkholifi | Sultan Alshehri | Mohammed M. Ghoneim | Amena Ali
Source: Molecules (article, 2022-01-09)
Field: Chemistry — Analytical Chemistry

Simultaneous Determination of Caffeine and Paracetamol in Commercial Formulations Using Greener Normal-Phase and Reversed-Phase HPTLC Methods: A Contrast of Validation Parameters There has been no assessment of the greenness of the described analytical techniques for the simultaneous determination (SMD) of caffeine and paracetamol. As a result, in comparison to the greener normal-phase high-performance thin-layer chromatography (HPTLC) technique, this research was conducted to develop a rapid, sensitive, and greener reversed-phase HPTLC approach for the SMD of caffeine and paracetamol in commercial formulations. The greenness of both techniques was calculated using the AGREE method. For the SMD of caffeine and paracetamol, the greener normal-phase and reversed-phase HPTLC methods were linear in the 50-500 ng/band and 25-800 ng/band ranges, respectively. For the SMD of caffeine and paracetamol, the greener reversed-phase HPTLC approach was more sensitive, accurate, precise, and robust than the greener normal-phase HPTLC technique. For the SMD of caffeine paracetamol in commercial PANEXT and SAFEXT tablets, the greener reversed-phase HPTLC technique was superior to the greener normal-phase HPTLC approach. The AGREE scores for the greener normal-phase and reversed-phase HPTLC approaches were estimated as 0.81 and 0.83, respectively, indicated excellent greenness profiles for both analytical approaches. The greener reversed-phase HPTLC approach is judged superior to the greener normal-phase HPTLC approach based on numerous validation parameters and pharmaceutical assays. Caffeine ; Chromatography ; Phase (matter) ; Contrast (vision) ; Chemistry ; Computer science ; Medicine ; Organic chemistry ; Artificial intelligence ; Internal medicine Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Pharmacological Effects and Assays
Authors: Shobhit K. Patel | U. Arun Kumar | G. Mahendran | B. Vasudevan | Jaymit Surve | Juveriya Parmar
Source: Scientific Reports (article, 2022-10-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Highly efficient, perfect, large angular and ultrawideband solar energy absorber for UV to MIR range Although different materials and designs have been tried in search of the ideal as well as ultra-wideband light absorber, achieving ultra-broadband and robust unpolarized light absorption over a wide angular range has proven to be a major issue. Light-field regulation capabilities provided by optical metamaterials are a potential new technique for perfect absorbers. It is our goal to design and demonstrate an ultra-wideband solar absorber for the ultraviolet to a mid-infrared region that has an absorptivity of TE/TM light of 96.2% on average. In the visible, NIR, and MIR bands of the solar spectrum, the absorbed energy is determined to be over 97.9%, above 96.1%, and over 95%, respectively under solar radiation according to the Air Mass Index 1.5 (AM1.5) spectrum investigation. In order to achieve this wideband absorption, the TiN material ground layer is followed by the SiO<sub>2</sub> layer, and on top of that, a Cr layer with patterned Ti-based resonators of circular and rectangular multiple patterns. More applications in integrated optoelectronic devices could benefit from the ideal solar absorber's strong absorption, large angular responses, and scalable construction. Molar absorptivity ; Optoelectronics ; Wideband ; Metamaterial ; Metamaterial absorber ; Absorption (acoustics) ; Materials science ; Optics ; Broadband ; Range (aeronautics) ; Resonator ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Thermal Radiation and Cooling Technologies
Authors: Yijun Chen | Bo Yang | Zhengxun Guo | Jingbo Wang | Mengmeng Zhu | Zilin Li | Tao Yu
Source: Protection and Control of Modern Power Systems (article, 2022-10-10)
Field: Materials Science — Materials Chemistry

Dynamic reconfiguration for TEG systems under heterogeneous temperature distribution via adaptive coordinated seeker Abstract A thermoelectric generation (TEG) system has the weakness of relatively low thermoelectric conversion efficiency caused by heterogeneous temperature distribution (HgTD). Dynamic reconfiguration is an effective technique to improve its overall energy efficiency under HgTD. Nevertheless, numerous combinations of electrical switches make dynamic reconfiguration a complex combinatorial optimization problem. This paper aims to design a novel adaptive coordinated seeker (ACS) based on an optimal configuration strategy for large-scale TEG systems with series–parallel connected modules under HgTDs. To properly balance global exploration and local exploitation, ACS is based on ‘divide-and-conquer’ parallel computing, which synthetically coordinates the local searching capability of tabu search (TS) and the global searching capability of a pelican optimization algorithm (POA) during iterations. In addition, an equivalent re-optimization strategy for a reconfiguration solution obtained by meta-heuristic algorithms (MhAs) is proposed to reduce redundant switching actions caused by the randomness of MhAs. Two case studies are carried out to assess the feasibility and superiority of ACS in comparison with the artificial bee colony algorithm, ant colony optimization, genetic algorithm, particle swarm optimization, simulated annealing algorithm, TS, and POA. Simulation results indicate that ACS can realize fast and stable dynamic reconfiguration of a TEG system under HgTDs. In addition, RTLAB platform-based hardware-in-the-loop experiments are carried out to further validate the hardware implementation feasibility. Control reconfiguration ; Computer science ; Simulated annealing ; Mathematical optimization ; Particle swarm optimization ; Metaheuristic ; Tabu search ; Optimization problem ; Genetic algorithm ; Algorithm ; Embedded system ; Mathematics Advanced Thermoelectric Materials and Devices ; thermodynamics and calorimetric analyses ; Evolutionary Algorithms and Applications
Authors: Yawen Xiao | Ahmed Helal | Eva Mazarío | Álvaro Mayoral | Alexandre Chevillot‐Biraud | Philippe Decorse | R. Losno | François Maurel | Souad Ammar | John S. Lomas | Miryana Hémadi
Source: Environmental Research (article, 2022-10-13)
Field: Chemistry — Inorganic Chemistry

Functionalized maghemite nanoparticles for enhanced adsorption of uranium from simulated wastewater and magnetic harvesting Uranyl ; Maghemite ; Adsorption ; Chemistry ; Uranium ; Nuclear chemistry ; Diethylenetriamine ; Stoichiometry ; Aqueous solution ; Inorganic chemistry ; Analytical Chemistry (journal) ; Ion ; Physical chemistry ; Materials science ; Chromatography ; Hematite ; Organic chemistry ; Mineralogy Radioactive element chemistry and processing ; Iron oxide chemistry and applications ; Extraction and Separation Processes
Authors: Yongli He | Boxiang Song | Jiang Tang
Source: Frontiers of Optoelectronics (review, 2022-05-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Optical metalenses: fundamentals, dispersion manipulation, and applications Metasurfaces, also known as 2D artificial metamaterials, are attracting great attention due to their unprecedented performances and functionalities that are hard to achieve by conventional diffractive or refractive elements. With their sub-wavelength optical scatterers, metasurfaces have been utilized to freely modify different characteristics of incident light such as amplitude, polarization, phase, and frequency. Compared to traditional bulky lenses, metasurface lenses possess the advantages of flatness, light weight, and compatibility with semiconductor manufacture technology. They have been widely applied to a range of scenarios including imaging, solar energy harvesting, optoelectronic detection, etc. In this review, we will first introduce the fundamental design principles for metalens, and then report recent theoretical and experimental progress with emphasis on methods to correct chromatic and monochromatic aberrations. Finally, typical applications of metalenses and corresponding design rules will be presented, followed by a brief outlook on the prospects and challenges of this field. Metamaterial ; Optics ; Optoelectronics ; Polarization (electrochemistry) ; Biophotonics ; Computer science ; Materials science ; Photonics ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Jacob A. R. Wright
Source: Tungsten (review, 2022-01-12)
Field: Materials Science — Materials Chemistry

A review of late-stage tungsten fuzz growth Abstract Tungsten will be used as the plasma-facing divertor material in the International Thermonuclear Experimental Reactor (ITER) fusion reactor. Under high temperatures and high ion fluxes, a ‘fuzz’ nanostructure forms on the tungsten surface with dramatically different properties and could contaminate the plasma. Although simulations and experimental observations have provided understanding of the initial fuzz formation process, there is debate over whether tungsten or helium migration is rate-limiting during late-stage growth, and the mechanisms by which tungsten and helium migrations occur. Here, the proposed mechanisms are considered in turn. It is concluded that tungsten migration occurs by adatom diffusion along the fuzz surface. Continual helium migration through the porous fuzz to the tungsten bulk is also required for fuzz growth, for continued bubble growth and rupture. Helium likely migrates due to ballistic penetration, although diffusion may contribute. It is difficult to determine the limiting process, which may switch from helium penetration to tungsten adatom diffusion above a threshold flux. Areas for further research to clarify the mechanisms are then considered. A greater understanding of the fuzz formation mechanism is key to the successful design of plasma-facing tungsten components, and may have applications in forming porous tungsten catalysts. Tungsten ; Thermonuclear fusion ; Divertor ; Helium ; Materials science ; Plasma ; Fusion power ; Diffusion ; Nuclear engineering ; Chemical physics ; Atomic physics ; Chemistry ; Tokamak ; Thermodynamics ; Metallurgy ; Nuclear physics ; Physics Fusion materials and technologies ; Nuclear Materials and Properties ; Advanced materials and composites
Authors: Héctor Soria‐Carrera | Elena Atrián‐Blasco | Rafael Martín‐Rapún | Scott G. Mitchell
Source: Chemical Science (review, 2022-11-16)
Field: Materials Science — Materials Chemistry

Polyoxometalate–peptide hybrid materials: from structure–property relationships to applications Organo-functionalisation of polyoxometalates (POMs) represents an effective approach to obtain diverse arrays of functional structures and materials, where the introduction of organic moieties into the POM molecules can dramatically change their surface chemistry, charge, polarity, and redox properties. The synergistic combination of POMs and peptides, which perform a myriad of essential roles within cellular biochemistry, including protection and transport in living organisms, leads to functional hybrid materials with unique properties. In this Perspective article, we present the principal synthetic routes to prepare and characterise POM-peptide hybrids, together with a comprehensive description of how their properties - such as redox chemistry, stereochemistry and supramolecular self-assembly - give rise to materials with relevant catalytic, adhesive, and biomedical applications. By presenting the state-of-the-art of the POM-peptide field, we show specifically how emerging chemical approaches can be harnessed to develop tailored POM-peptide materials with synergistic properties for applications in a variety of disciplines. Polyoxometalate ; Peptide ; Property (philosophy) ; Nanotechnology ; Combinatorial chemistry ; Chemistry ; Materials science ; Biochemistry ; Epistemology Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Reactions
Authors: Gustav Ferrand‐Drake del Castillo | Maria Kyriakidou | Zeynep Adali | Kunli Xiong | Rebekah L. N. Hailes | Andreas Dahlin
Source: Angewandte Chemie International Edition (article, 2022-03-15)
Field: Materials Science — Surfaces, Coatings and Films

Electrically Switchable Polymer Brushes for Protein Capture and Release in Biological Environments** Interfaces functionalized with polymers are known for providing excellent resistance towards biomolecular adsorption and for their ability to bind high amounts of protein while preserving their structure. However, making an interface that switches between these two states has proven challenging and concepts to date rely on changes in the physiochemical environment, which is static in biological systems. Here we present the first interface that can be electrically switched between a high-capacity (>1 μg cm<sup>-2</sup> ) multilayer protein binding state and a completely non-fouling state (no detectable adsorption). Switching is possible over multiple cycles without any regeneration. Importantly, switching works even when the interface is in direct contact with biological fluids and a buffered environment. The technology offers many applications such as zero fouling on demand, patterning or separation of proteins as well as controlled release of biologics in a physiological environment, showing high potential for future drug delivery in vivo. Adsorption ; Fouling ; Nanotechnology ; Polymer ; Protein adsorption ; Drug delivery ; On demand ; Interface (matter) ; Materials science ; Biophysics ; Chemistry ; Computer science ; Membrane ; Biology ; Biochemistry ; Organic chemistry Polymer Surface Interaction Studies ; Molecular Junctions and Nanostructures ; Advanced Sensor and Energy Harvesting Materials
Authors: Yan Bai | Shuaihang Bi | Weikang Wang | Ning Ding | Yuyuan Lu | Mengyue Jiang | Chengbo Ding | Weiwei Zhao | Ning Liu | Jing Bian | Shujuan Liu | Qiang Zhao
Source: Soft Materials (article, 2022-05-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Biocompatible, stretchable, and compressible cellulose/MXene hydrogel for strain sensor and electromagnetic interference shielding With the booming growth of flexible human-computer interactions and telecommunications, it is desirable to fabricate a high-sensitivity strain sensor to monitor human movement and develop an electromagnetic interference (EMI) shielding materials to protect modern microelectronics and humans from electromagnetic damage. Herein, the biocompatible, stretchable, and compressible cellulose/MXene hydrogel has been prepared to first realize the dual-functional applications in strain sensor and EMI shielding. Two-dimensional MXene nanosheets serve as conductive sensing materials and fillers to construct conductive networks. The hydrogen bond interaction between them enhances the mechanical property of hydrogel. Benefiting from the excellent electrical conductivity and good mechanical property of the cellulose/MXene hydrogel, the resultant strain sensor displays excellent tensile strain (~144.4%), high sensitivity (gauge factor ~ -6.97), adjustable detection range (0-68.7%), fast response time (~100 ms), and great stability (~1000 cycles). It can monitor human motion, including pulse beating, speech recognition, writing sensing and pressure distribution induction of 4 × 4 sensor array platform. Moreover, the cellulose/MXene hydrogel presents an absorption-predominant EMI shielding performance in the frequency of X-band. This work provides a new inspiration for the development of multifunctional hydrogel in artificial intelligence, human-computer interaction, and EMI shielding technique. Materials science ; Electromagnetic shielding ; Electromagnetic interference ; Gauge factor ; EMI ; Composite material ; MXenes ; Electrical conductor ; Biocompatible material ; Optoelectronics ; Nanotechnology ; Computer science ; Fabrication ; Biomedical engineering ; Telecommunications Electromagnetic wave absorption materials ; Advanced Sensor and Energy Harvesting Materials ; Advanced Antenna and Metasurface Technologies
Authors: Yanchen Lai | Zhe Wang | Daan Cui | Fenghui Han | Yulong Ji | Wenjian Cai
Source: International Journal of Hydrogen Energy (article, 2022-11-03)
Field: Materials Science — Materials Chemistry

Thermal impact performance study for the thermal management of ammonia-fueled single tubular solid oxide fuel cell Ammonia ; Anode ; Solid oxide fuel cell ; Cracking ; Oxide ; Materials science ; Heat transfer ; Chemical engineering ; Chemistry ; Thermodynamics ; Composite material ; Electrode ; Metallurgy ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Ammonia Synthesis and Nitrogen Reduction ; Electrocatalysts for Energy Conversion
Authors: Anjitha Jayaraj | Archana V. Raveedran | Anjima T. Latha | Deepshikha Priyadarshini | Chinna Ayya Swamy P
Source: Coordination Chemistry Reviews (article, 2022-12-14)
Field: Chemistry — Organic Chemistry

Coordination Versatility of NHC-metal Topologies in Asymmetric Catalysis: Synthetic Insights and Recent Trends Chemistry ; Enantioselective synthesis ; Carbene ; Catalysis ; Rational design ; Combinatorial chemistry ; Nanotechnology ; Steric effects ; Organic chemistry ; Materials science N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Jun‐Song Zhong | Chenglin Ding | Hyunwoo Kim | Terry McCallum | Ke‐Yin Ye
Source: Green Synthesis and Catalysis (article, 2022-01-14)
Field: Chemistry — Organic Chemistry

Alternating current electrolysis: A photoredox catalysis mimic and beyond Alternating current electrolysis (ACE) is an emerging powerful synthetic tool, which principally resembles photoredox catalysis strategies. Its periodically alternating polarity feature allows oxidation and reduction processes to take place on the same electrode surface in a well-controlled manner via the fine-tuning of current frequency along with other reaction parameters. Therefore, many challenging transformations in typical direct electrolysis, including constant current electrolysis or constant potential electrolysis, could be achieved via ACE. The recent advances in the organic synthesis using this emerging technology and its advantages over direct electrolysis are highlighted. Electrolysis ; Alternating current ; Photoredox catalysis ; Current (fluid) ; Polarity (international relations) ; Constant current ; Catalysis ; Materials science ; Nanotechnology ; Process engineering ; Electrode ; Chemistry ; Electrical engineering ; Engineering ; Photocatalysis ; Organic chemistry ; Voltage ; Electrolyte ; Physical chemistry Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Advanced Photocatalysis Techniques
Authors: Eerappa Rajakumara | Suman Abhishek | Kulhar Nitin | Dubey Saniya | Priyanka Bajaj | Ulrich Schwaneberg | Mehdi D. Davari
Source: ACS Chemical Biology (review, 2022-01-18)
Field: Materials Science — Materials Chemistry

Structure and Cooperativity in Substrate–Enzyme Interactions: Perspectives on Enzyme Engineering and Inhibitor Design Enzyme-based synthetic chemistry provides a green way to synthesize industrially important chemical scaffolds and provides incomparable substrate specificity and unmatched stereo-, regio-, and chemoselective product formation. However, using biocatalysts at an industrial scale has its challenges, like their narrow substrate scope, limited stability in large-scale one-pot reactions, and low expression levels. These limitations can be overcome by engineering and fine-tuning these biocatalysts using advanced protein engineering methods. A detailed understanding of the enzyme structure and catalytic mechanism and its structure-function relationship, cooperativity in binding of substrates, and dynamics of substrate-enzyme-cofactor complexes is essential for rational enzyme engineering for a specific purpose. This Review covers all these aspects along with an in-depth categorization of various industrially and pharmaceutically crucial bisubstrate enzymes based on their reaction mechanisms and their active site and substrate/cofactor-binding site structures. As the bisubstrate enzymes constitute around 60% of the known industrially important enzymes, studying their mechanism of actions and structure-activity relationship gives significant insight into deciding the targets for protein engineering for developing industrial biocatalysts. Thus, this Review is focused on providing a comprehensive knowledge of the bisubstrate enzymes' structure, their mechanisms, and protein engineering approaches to develop them into industrial biocatalysts. Cooperativity ; Enzyme ; Substrate (aquarium) ; Protein engineering ; Enzyme inhibition ; Cooperative binding ; Substrate specificity ; Chemistry ; Biochemistry ; Biophysics ; Biology ; Ecology Enzyme Structure and Function ; Protein Structure and Dynamics ; Microbial Metabolic Engineering and Bioproduction
Authors: Emine Gül Cansu Ergun | Buket Bezgin Çarbaş
Source: Materials Today Communications (article, 2022-06-22)
Field: Materials Science — Polymers and Plastics

Electrochromic copolymers of 2,5-dithienyl-N-substituted-pyrrole (SNS) derivatives with EDOT: Properties and electrochromic device applications Electrochromism ; Copolymer ; Materials science ; Pyrrole ; Conjugated system ; Alkyl ; Polymer chemistry ; Polymerization ; Electrochemistry ; Polymer ; Electrochromic devices ; Organic chemistry ; Chemistry ; Electrode ; Physical chemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Organic Electronics and Photovoltaics
Authors: Yinglu Sun | Xinxin Tian | Haopu Xie | Biru Shi | Jiahui Zhong | Xiangdong Liu | Yuming Yang
Source: Polymer (article, 2022-09-11)
Field: Materials Science — Polymers and Plastics

Reprocessable and degradable bio-based polyurethane by molecular design engineering with extraordinary mechanical properties for recycling carbon fiber Polyurethane ; Isosorbide ; Materials science ; Toughness ; Polymer ; Ultimate tensile strength ; Composite material ; Thermal stability ; Chemical engineering ; Organic chemistry ; Chemistry Polymer composites and self-healing ; Synthetic Organic Chemistry Methods ; biodegradable polymer synthesis and properties