jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kento Sasaki | Yuki Nakamura | Hao Gu | Moeta Tsukamoto | Shu Nakaharai | Takuya Iwasaki | Kenji Watanabe | Takashi Taniguchi | Shinichi Ogawa | Yukinori Morita | Kensuke Kobayashi
Source: Applied Physics Letters (article, 2023-06-12)
Field: Materials Science — Materials Chemistry

Magnetic field imaging by hBN quantum sensor nanoarray Placing a sensor close to the target at the nano-level is a central challenge in quantum sensing. We demonstrate magnetic field imaging with a boron vacancy (VB−) defects array in hexagonal boron nitride with a few 10 nm thickness. VB− sensor spots with a size of (100 nm)2 are arranged periodically with nanoscale accuracy using a helium ion microscope and attached tightly to a gold wire. The sensor array allows us to visualize the magnetic field induced by the current in the straight micro wire with a high spatial resolution. Each sensor exhibits a practical sensitivity of 73.6 μT/Hz0.5, suitable for quantum materials research. Our technique of arranging VB− quantum sensors periodically and tightly on measurement targets will maximize their potential. Materials science ; Magnetic field ; Quantum sensor ; Nanoscopic scale ; Image resolution ; Microscope ; Quantum ; Optoelectronics ; Liquid helium ; Resolution (logic) ; Image sensor ; Nanosensor ; Nanotechnology ; Optics ; Quantum technology ; Helium ; Physics ; Computer science Diamond and Carbon-based Materials Research ; Ion-surface interactions and analysis ; Advancements in Semiconductor Devices and Circuit Design
Authors: Simona Dzurendová | Pernille Margrethe Olsen | Dana Byrtusová | Valeria Tafintseva | Volha Shapaval | Svein Jarle Horn | Achim Köhler | Martin Szotkowski | Ivana Márová | Boris Zimmermann
Source: Microbial Cell Factories (article, 2023-12-18)
Field: Chemistry — Analytical Chemistry

Raman spectroscopy online monitoring of biomass production, intracellular metabolites and carbon substrates during submerged fermentation of oleaginous and carotenogenic microorganisms The FT-Raman spectroscopy system with a flow measurement cell in a recirculatory loop, in combination with prediction models, can simultaneously provide real-time concentration data on carbon substrate utilization, and production of biomass, carotenoid pigments, and lipids. This data enables monitoring of dynamic behaviour of oleaginous and carotenogenic microorganisms, and thus can provide critical process parameters for process optimization and control. Overall, this study demonstrated the feasibility of using FT-Raman spectroscopy for online monitoring of fermentation processes. Fermentation ; Bioprocess ; Biomass (ecology) ; Substrate (aquarium) ; Raman spectroscopy ; Microorganism ; Glycerol ; Chemistry ; Materials science ; Food science ; Biology ; Biochemistry ; Bacteria Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Viral Infectious Diseases and Gene Expression in Insects
Authors: Samiran Samanta | Dibyendu Roy | Sumit Roy | Andrew Smallbone | Anthony Paul Roskilly
Source: Fuel (article, 2023-08-10)
Field: Materials Science — Materials Chemistry

Modelling of hydrogen blending into the UK natural gas network driven by a solid oxide fuel cell for electricity and district heating system A thorough investigation of the thermodynamics and economic performance of a cogeneration system based on solid oxide fuel cells that provides heat and power to homes has been carried out in this study. Additionally, different percentages of green hydrogen have been blended with natural gas to examine the techno-economic performance of the suggested cogeneration system. The energy and exergy efficiency of the system rises steadily as the hydrogen blending percentage rises from 0% to 20%, then slightly drops at 50% H2 blending, and then rises steadily again until 100% H2 supply. The system's minimal levelised cost of energy was calculated to be 4.64 £/kWh for 100% H2. Artificial Neural Network (ANN) model was also used to further train a sizable quantity of data that was received from the simulation model. Heat, power, and levelised cost of energy estimates using the ANN model were found to be extremely accurate, with coefficients of determination of 0.99918, 0.99999, and 0.99888, respectively. Cogeneration ; Exergy ; Natural gas ; Electricity ; Process engineering ; Environmental science ; Hydrogen ; Solid oxide fuel cell ; Waste management ; Power (physics) ; Electricity generation ; Engineering ; Thermodynamics ; Chemistry ; Electrical engineering ; Physics Advancements in Solid Oxide Fuel Cells ; Chemical Looping and Thermochemical Processes ; Carbon Dioxide Capture Technologies
Authors: Paweł Lisowski | Michał A. Glinicki
Source: Biomass Conversion and Biorefinery (article, 2023-12-13)
Field: Materials Science — Polymers and Plastics

Promising biomass waste–derived insulation materials for application in construction and buildings Abstract Current insulation materials applied in construction engineering and the building industry are generally petrochemical-based polymers and recycled thermal insulation materials. The environmental effects of these materials’ production processes are substantial, despite their high thermal insulation performance. Consequently, the researchers conclude that it is essential to develop and produce insulating materials with superior thermal properties, minimal environmental impact, and a reasonable cost. The study concentrated on the application of insulation materials derived from biomass in the development of thermal insulation. The purpose of this review is to investigate and develop the possibilities of using biomass wastes as renewable and eco-friendly thermal insulation materials for construction engineering and the building industry. The thermal conductivity of those materials was measured using the hot plate and hot box methods, two of the most widely used hot processing methods. With a relatively low thermal conductivity (&lt; 0.100 W·m −1 ·K −1 ), this review provides critical scientific insight into potential building insulation materials derived from biodegradable and abundant resources. It was observed that these materials are appealing for use in building and construction because they have a number of potential advantages from technical, economic, environmental, and green credentials perspectives. The collection of information enables some conclusions regarding the different biomass waste–derived insulation materials that have already been investigated and identifies gaps in the literature. Finally, the scope of commercialization pathways and future research directions to validate the proposed material alternatives’ claim for commercial-scale applications has been identified in this review. Graphical Abstract Thermal insulation ; Biomass (ecology) ; Renewable energy ; Petrochemical ; Scope (computer science) ; Building material ; Thermal conductivity ; Commercialization ; Environmental science ; Waste management ; Construction engineering ; Engineering ; Civil engineering ; Materials science ; Computer science ; Composite material ; Business Natural Fiber Reinforced Composites ; Hygrothermal properties of building materials ; Concrete and Cement Materials Research
Authors: Abdur Rahim | Sadikur Rahman | Ahmed Jalal Uddin
Source: Heliyon (article, 2023-02-10)
Field: Materials Science — Polymers and Plastics

Low-bagging (growth) stretch denim yarn production by spinning optimization of cotton-wrapped dual-core elastane and T400 multifilament Cotton-wrapped elastane core yarns have been widely used in producing stretch denim fabrics due to their comfortable stretching and recovery, but they suffer from undesirable fabric growth under prolonged or repeated stress. To reduce that problem, an additional semi-elastic multifilament has been incorporated with the elastane core, called dual-core yarn. Herein, it was intended to produce well-engineered dual-core yarns possessing high elasticity with low bagging. Twenty types of cotton-wrapped elastane/T400 multifilament dual-core yarns with different combinations of elastane and T400 tension draft were produced on industrial scale in a spinning mill. Structural parameters, tensile properties and elastic recovery behavior under cyclic loading of the yarns were thoroughly studied. For an optimum combination of elastane/T400 draft, the dual-core yarn attained excellent tenacity and elongation with significantly low evenness, imperfections and hairiness values. More importantly, the results of the cyclic loading study explicitly revealed a remarkable reduction in plastic deformation and stress decay indicating low growth and high resilience of yarn after deformation. The dual-core yarn containing high strength, high elongation and low growth obtained here can have durable stretch jeans with high body movement comfort and long-lasting shape retention. Yarn ; Denim ; Composite material ; Core (optical fiber) ; Materials science ; Spinning ; Elongation ; Ultimate tensile strength ; Weaving ; Tenacity (mineralogy) Textile materials and evaluations ; Structural Analysis and Optimization ; Dyeing and Modifying Textile Fibers
Authors: Richard Antonello | Aditya R. Vaidya | Alexander G. Huth
Source: PubMed (preprint, 2023-05-19)
Field: Materials Science — Materials Chemistry

Scaling laws for language encoding models in fMRI Representations from transformer-based unidirectional language models are known to be effective at predicting brain responses to natural language. However, most studies comparing language models to brains have used GPT-2 or similarly sized language models. Here we tested whether larger open-source models such as those from the OPT and LLaMA families are better at predicting brain responses recorded using fMRI. Mirroring scaling results from other contexts, we found that brain prediction performance scales logarithmically with model size from 125M to 30B parameter models, with ~15% increased encoding performance as measured by correlation with a held-out test set across 3 subjects. Similar logarithmic behavior was observed when scaling the size of the fMRI training set. We also characterized scaling for acoustic encoding models that use HuBERT, WavLM, and Whisper, and we found comparable improvements with model size. A noise ceiling analysis of these large, high-performance encoding models showed that performance is nearing the theoretical maximum for brain areas such as the precuneus and higher auditory cortex. These results suggest that increasing scale in both models and data will yield incredibly effective models of language processing in the brain, enabling better scientific understanding as well as applications such as decoding. Language model ; Mirroring ; Computer science ; Scaling ; Encoding (memory) ; Logarithm ; Precuneus ; Set (abstract data type) ; Neuroimaging ; Decoding methods ; Speech recognition ; Artificial intelligence ; Cognitive psychology ; Natural language processing ; Cognition ; Psychology ; Communication ; Neuroscience ; Algorithm ; Mathematics Machine Learning in Materials Science ; Functional Brain Connectivity Studies ; Speech Recognition and Synthesis
Authors: Markus M. Hoffmann | Matthew D. Too | Nathaniel A. Paddock | Robin Horstmann | Sebastian Kloth | M. Vogel | Gerd Buntkowsky
Source: The Journal of Physical Chemistry B (article, 2023-01-26)
Field: Chemistry — Organic Chemistry

On the Behavior of the Ethylene Glycol Components of Polydisperse Polyethylene Glycol PEG200 Molecular dynamics (MD) simulations are reported for [polyethylene glycol (PEG)200], a polydisperse mixture of ethylene glycol oligomers with an average molar weight of 200 g·mol<sup>-1</sup>. As a first step, available force fields for describing ethylene glycol oligomers were tested on how accurately they reproduced experimental properties. They were found to all fall short on either reproducing density, a static property, or the self-diffusion coefficient, a dynamic property. Discrepancies with the experimental data increased with the increasing size of the tested ethylene glycol oligomer. From the available force fields, the optimized potential for liquid simulation (OPLS) force field was used to further investigate which adjustments to the force field would improve the agreement of simulated physical properties with experimental ones. Two parameters were identified and adjusted, the (HO)-C-C-O proper dihedral potential and the polarity of the hydroxy group. The parameter adjustments depended on the size of the ethylene glycol oligomer. Next, PEG200 was simulated with the OPLS force field with and without modifications to inspect their effects on the simulation results. The modifications to the OPLS force field significantly decreased hydrogen bonding overall and increased the propensity of intramolecular hydrogen bond formation at the cost of intermolecular hydrogen bond formation. Moreover, some of the tri- and more so tetraethylene glycol formed intramolecular hydrogen bonds between the hydroxy end groups while still maintaining strong intramolecular interactions with the ether oxygen atoms. These observations allowed the interpretation of the obtained RDFs as well as structural properties such as the average end-to-end distances and the average radii of gyration. The MD simulations with and without the modifications showed no evidence of preferential association of like-oligomers to form clusters nor any evidence of long-range ordering such as a side-by-side stacking of ethylene glycol oligomers. Instead, the simulation results support the picture of PEG200 being a random mixture of its ethylene glycol oligomer components. Finally, additional MD simulations of a binary mixture of tri-and hexaethylene glycol with the same average molar weight as PEG200 revealed very similar structural and physical properties as for PEG200. Polyethylene glycol ; Ethylene glycol ; Chemistry ; Chemical engineering ; Polymer chemistry ; PEG ratio ; Chromatography ; Organic chemistry Surfactants and Colloidal Systems ; Polymer crystallization and properties ; Membrane Separation and Gas Transport
Authors: Zahra Gharehdaghi | Seyed Morteza Naghib | Rahmatollah Rahimi | Atin Bakhshi | Amirhosein Kefayat | Armin Shamaeizadeh | Fatemeh Molaabasi
Source: Frontiers in Molecular Biosciences (article, 2023-04-04)
Field: Chemistry — Inorganic Chemistry

Highly improved pH-Responsive anticancer drug delivery and T2-Weighted MRI imaging by magnetic MOF CuBTC-based nano/microcomposite Cu-BTC framework has received a considerable attention in recent years as a drug carrier candidate for cancer treatment due to its unique structural properties and promising biocompatibility. However, its intrinsic deficiency for medical imaging potentially limits its bioapplications; To address this subject, a magnetic nano/microscale MOF has been successfully fabricated by introducing Fe<sub>3</sub>O<sub>4</sub> nanoparticles as an imaging agent into the porous isoreticular MOF [Cu<sub>3</sub>(BTC)<sub>2</sub>] as a drug carrier. The synthesized magnetic MOFs exhibits a high loading capacity (40.5%) toward the model anticancer DOX with an excellent pH-responsive drug release. The proposed nanocomposite not only possesses large surface area, high magnetic response, large mesopore volume, high transverse relaxivity (<i>r</i> <sup>2</sup>) and good stability but also exhibits superior biocompatibility, specific tumor cellular uptake, and significant cancer cell viability inhibitory effect without any targeting agent. It is expected that the synthesized magnetic nano/microcomposite may be used for clinical purposes and can also serve as a platform for photoactive antibacterial therapy ae well as pH/GSH/photo-triple-responsive nanocarrier. Biocompatibility ; Nanocarriers ; Nanotechnology ; Drug delivery ; Materials science ; Nanocomposite ; Nano- ; Magnetic nanoparticles ; Drug carrier ; Targeted drug delivery ; Nanoparticle ; Drug ; Microscale chemistry ; Imaging agent ; Biomedical engineering ; Pharmacology ; Medicine ; In vivo Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; MXene and MAX Phase Materials
Authors: Abdulrahman Masoud Alotaibi | Aznan Fazli Ismail | Eli Syafiqah Aziman
Source: Scientific Reports (article, 2023-06-08)
Field: Chemistry — Inorganic Chemistry

Ultra-effective modified clinoptilolite adsorbent for selective thorium removal from radioactive residue This study investigated the efficacy of using phosphate-modified zeolite (PZ) as an adsorbent for removing thorium from aqueous solutions. The effects of various factors such as contact time, adsorbent mass, initial thorium concentration, and pH value of the solution on the removal efficiency were analyzed using the batch technique to obtain optimum adsorption condition. The results revealed that the optimal conditions for thorium adsorption were a contact time of 24 h, 0.03 g of PZ adsorbent, pH 3, and a temperature of 25 °C. Isotherm and kinetics parameters of the thorium adsorption on PZ were also determined, with equilibrium studies showing that the experimental data followed the Langmuir isotherm model. The maximum adsorption capacity (Q<sub>o</sub>) for thorium was found to be 17.3 mg/g with the Langmuir isotherm coefficient of 0.09 L/mg. Using phosphate anions to modify natural zeolite increased its adsorption capacity. Furthermore, adsorption kinetics studies demonstrated that the adsorption of thorium onto PZ adsorbent fitted well with the pseudo-second-order model. The applicability of the PZ adsorbent in removing thorium from real radioactive waste was also investigated, and nearly complete thorium removal was achieved (> 99%) from the leached solution obtained from cracking and leaching processes of rare earth industrial residue under optimized conditions. This study elucidates the potential of PZ adsorbent for efficient removal of thorium from rare earth residue via adsorption, leading to a reduction in waste volume for ultimate disposition. Adsorption ; Thorium ; Clinoptilolite ; Zeolite ; Chemistry ; Langmuir adsorption model ; Nuclear chemistry ; Aqueous solution ; Leaching (pedology) ; Residue (chemistry) ; Phosphate ; Uranium ; Inorganic chemistry ; Chromatography ; Materials science ; Organic chemistry ; Catalysis ; Metallurgy Radioactive element chemistry and processing ; Adsorption and biosorption for pollutant removal ; Chemical Synthesis and Characterization
Authors: Anuradhi Liyanapathiranage | Rohan S. Dassanayake | Ashoka Gamage | Rama Rao Karri | Asanga Manamperi | Philippe Evon | Yasasvi Jayakodi | Terrence Madhujith | Othmane Merah
Source: Preprints.org (preprint, 2023-05-30)
Field: Materials Science — Biomaterials

Recent Developments in Edible Films and Coatings for Fruits and Vegetables As a novel post-harvesting strategy, edible films and coatings for fruits and vegetables offer preservation measures to meet the growing needs of hunger and agricultural management. Albeit edible films and coatings would differ in their processing and physio-mechanical characteristics, but functionality is distinctly the same as they are designed to improve shelf-life, barrier, and nutritional properties of the food. With emerging concerns on sustainability, biomacromolecules have been widely considered for preparing edible films and coatings, which are Generally Recognized as Safe (GRAS) substances. Biopolymers, including polysaccharides, proteins, and lipids are the main sources of preparing edible films and coatings. These biomacromolecules make stable colloidal dispersions that deliver processing convenience with various formulation, blending, casting, coating, and film-forming methods. However, biopolymers based edible films and coating require improvements for their extended performance due to several structural and barrier limitations. Therefore, preparing blends and composites, incorporating target molecules to introduce different functionalities, and designing complex multilayers are among the many recent research approaches developed to overcome those limitations. Thereby ensuring enhanced food preservation and extended shelf-life, essential requirements of food waste management without or with minimal influence on the texture, flavor, and nutritional value of food and vegetables. Coating ; Shelf life ; Materials science ; Food packaging ; Nanotechnology ; Casting ; Food science ; Chemistry ; Composite material Nanocomposite Films for Food Packaging
Authors: Ahmad Alzamami | Eman M. Radwan | Eman Abo-Elabass | Mohammed El Behery | Hussah Abdullah Alshwyeh | Ebtesam Al‐Olayan | Abdulmalik Saleh Alfawaz Altamimi | Nashwah G. M. Attallah | Najla Altwaijry | Mariusz Jaremko | Essa M. Saied
Source: BMC Chemistry (article, 2023-12-02)
Field: Chemistry — Organic Chemistry

Novel 8-Methoxycoumarin-3-Carboxamides with potent anticancer activity against liver cancer via targeting caspase-3/7 and β-tubulin polymerization In the present study, we explored the potential of coumarin-based compounds, known for their potent anticancer properties, by designing and synthesizing a novel category of 8-methoxycoumarin-3-carboxamides. Our aim was to investigate their antiproliferative activity against liver cancer cells. Toward this, we developed a versatile synthetic approach to produce a series of 8-methoxycoumarin-3-carboxamide analogues with meticulous structural features. Assessment of their antiproliferative activity demonstrated their significant inhibitory effects on the growth of HepG2 cells, a widely studied liver cancer cell line. Among screened compounds, compound 5 exhibited the most potent antiproliferative activity among the screened compounds (IC<sub>50</sub> = 0.9 µM), outperforming the anticancer drug staurosporine (IC<sub>50</sub> = 8.4 µM), while showing minimal impact on normal cells. The flow cytometric analysis revealed that compound 5 induces cell cycle arrest during the G1/S phase and triggers apoptosis in HepG2 cells by increasing the percentage of cells arrested in the G2/M and pre-G1 phases. Annexin V-FITC/PI screening further supported the induction of apoptosis without significant necrosis. Further, compound 5 exhibited the ability to activate caspase3/7 protein and substantially inhibited β-tubulin polymerization activity in HepG2 cells. Finally, molecular modelling analysis further affirmed the high binding affinity of compound 5 toward the active cavity of β-tubulin protein, suggesting its mechanistic involvement. Collectively, our findings highlight the therapeutic potential of the presented class of coumarin analogues, especially compound 5, as promising candidates for the development of effective anti-hepatocellular carcinoma agents. Annexin ; Staurosporine ; Apoptosis ; Tubulin ; Cell cycle ; Cancer cell ; Cell cycle checkpoint ; Coumarin ; Cell culture ; Chemistry ; Cancer research ; Cancer ; Pharmacology ; Biochemistry ; Biology ; Kinase ; Cell biology ; Microtubule ; Protein kinase A Synthesis and biological activity ; Fungal Plant Pathogen Control ; Computational Drug Discovery Methods