jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hamed Zaresani | Amir Hosein Afkari Sayyah | Hemad Zareiforoush | Ali Khorramifar | Marek Gancarz | Sylwester Tabor | Hamed Karami
Source: International Agrophysics (article, 2024-04-18)
Field: Chemistry — Analytical Chemistry

Vis/NIR and FTIR spectroscopy supported by machine learning techniques to distinguish pure from impure Iranian rice varieties A b s t r a c t. Rice is an annual plant from the family of Oryzeae, provides the main food for about 2.5 billion people.The quality of this product is under the influence of various factors.Quality control and adulteration detection are among the main issues in the rice industry for which, various methods have been developed.Some of these methods are costly or with low accuracy.Therefore, this study aimed to investigate and detect adulteration with spectroscopic devices and chemometric methods as well as neural network approach.The results of this study indicated the highest accuracy (100%) in the detection of authentic rice for Fouriertransform infrared combined with C-support vector machine (linear and polynomial functions) and visible-near-infrared device with quadratic discriminant analysis, multivariate discriminant analysis, Bayesian, and Decision Tree.The lowest accuracy was also related to support vector machine method with Sigmoid function for both devices.Principal component analysis method also provided very high accuracy for both devices (accuracy of 100% for visible-near-infrared and 99% for Fourier-transform infrared).K e y w o r d s: Fourier transform infrared spectroscopy ; Spectroscopy ; Materials science ; Analytical Chemistry (journal) ; Mineralogy ; Mathematics ; Chemistry ; Physics ; Environmental chemistry ; Optics Spectroscopy and Chemometric Analyses ; GABA and Rice Research ; Advanced Chemical Sensor Technologies
Authors: Yuhai Yuan | Yanfeng Jiang
Source: AIP Advances (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

Field-free spin–orbit torque switching of magnetic tunnel junction structure based on two-dimensional van der Waals WTe2 In recent years, two-dimensional van der Waals (2D vdWs) heterostructures have attracted great research interest due to their great potential in fundamental physics research and spintronic devices (such as MTJs). Due to its excellent scalability, controllable magnetism and out-of-plane anisotropy, the compact nonvolatile memory controller (NV-MC) based on spintronics is expected to solve the memory bottle-neck problem. At present, a series of in-depth studies have been conducted on advanced 2D vdWs materials, such as MoS2, WSe2, and Fe3GeTe2 (FGT). The results show that the 2D vdWs materials have great TMR value and high SOT switching efficiency, both theoretically reported and experimentally verified. In the paper, a novel MTJ device based on the FGT/WTe2 heterostructure is proposed. In the absence of an external magnetic field, the magnetization direction of the MTJ free layer can still be reversed with certainty when the unipolar write current reaches about 5 mA. Moreover, the DMI effect generated between 2-D material/FM interfaces is also considered, which can promote the performance of SOT-MTJ without the external field. The reading reliability of SOT-MRAM is improved in comparison with the traditional CoFeB-based MTJ device. Spintronics ; Materials science ; van der Waals force ; Heterojunction ; Condensed matter physics ; Optoelectronics ; Tunnel magnetoresistance ; Magnetism ; Magnetization ; Magnetoresistive random-access memory ; Magnetic field ; Nanotechnology ; Computer science ; Physics ; Ferromagnetism ; Random access memory ; Layer (electronics) ; Quantum mechanics 2D Materials and Applications ; Advanced Memory and Neural Computing ; Ferroelectric and Negative Capacitance Devices
Authors: Mohammad Arafat Hussain | Danielle LaMay | P. Ellen Grant | Yangming Ou
Source: Scientific Reports (article, 2024-11-13)
Field: Materials Science — Materials Chemistry

Deep learning of structural MRI predicts fluid, crystallized, and general intelligence Can brain structure predict human intelligence? T1-weighted structural brain magnetic resonance images (sMRI) have been correlated with intelligence. However, the population-level association does not fully account for individual variability in intelligence. To address this, studies have emerged recently to predict individual subject's intelligence or neurocognitive scores. However, they are mostly on predicting fluid intelligence (the ability to solve new problems). Studies are lacking to predict crystallized intelligence (the ability to accumulate knowledge) or general intelligence (fluid and crystallized intelligence combined). This study tests whether deep learning of sMRI can predict an individual subject's verbal, comprehensive, and full-scale intelligence quotients (VIQ, PIQ, and FSIQ), which reflect fluid and crystallized intelligence. We performed a comprehensive set of 432 experiments, using different input image channels, six deep learning models, and two outcome settings, in 850 healthy and autistic subjects 6-64 years of age. Our findings indicate a statistically significant potential of T1-weighted sMRI in predicting intelligence, with a Pearson correlation exceeding 0.21 (p < 0.001). Interestingly, we observed that an increase in the complexity of deep learning models does not necessarily translate to higher accuracy in intelligence prediction. The interpretations of our 2D and 3D CNNs, based on GradCAM, align well with the Parieto-Frontal Integration Theory (P-FIT), reinforcing the theory's suggestion that human intelligence is a result of interactions among various brain regions, including the occipital, temporal, parietal, and frontal lobes. These promising results invite further studies and open new questions in the field. Computer science ; Artificial intelligence ; Deep learning Machine Learning in Materials Science ; NMR spectroscopy and applications
Authors: Mengheng Xue | Rong Huang | Wei Liu | Jian Cheng | Yuwan Liu | Jie Zhang | Limei Wang | Dingyu Liu | Huifeng Jiang
Source: Frontiers in Microbiology (article, 2024-06-20)
Field: Materials Science — Biomaterials

Identification and characterization of a potential strain for the production of polyhydroxyalkanoate from glycerol While poly (3-hydroxybutyrate) (PHB) holds promise as a bioplastic, its commercial utilization has been hampered by the high cost of raw materials. However, glycerol emerges as a viable feedstock for PHB production, offering a sustainable production approach and substantial cost reduction potential. Glycerol stands out as a promising feedstock for PHB production, offering a pathway toward sustainable manufacturing and considerable cost savings. The identification and characterization of strains capable of converting glycerol into PHB represent a pivotal strategy in advancing PHB production research. In this study, we isolated a strain, <i>Ralstonia</i> sp. RRA (RRA). The strain exhibits remarkable proficiency in synthesizing PHB from glycerol. With glycerol as the carbon source, RRA achieved a specific growth rate of 0.19 h<sup>-1</sup>, attaining a PHB content of approximately 50% within 30 h. Through third-generation genome and transcriptome sequencing, we elucidated the genome composition and identified a total of eight genes (<i>glpR</i>, <i>glpD</i>, <i>glpS</i>, <i>glpT</i>, <i>glpP</i>, <i>glpQ</i>, <i>glpV</i>, and <i>glpK</i>) involved in the glycerol metabolism pathway. Leveraging these findings, the strain RRA demonstrates significant promise in producing PHB from low-cost renewable carbon sources. Polyhydroxyalkanoates ; Bioplastic ; Glycerol ; Raw material ; Cupriavidus necator ; Strain (injury) ; Food science ; Metabolic engineering ; Chemistry ; Biotechnology ; Biochemistry ; Biology ; Gene ; Bacteria ; Genetics ; Organic chemistry biodegradable polymer synthesis and properties ; Biofuel production and bioconversion ; Microbial Metabolic Engineering and Bioproduction
Authors: Asuka Nishida | Yuka Sawada | R. Arai | Naoki Ishibashi | Miho Suzuo | Akiko Ohno | Takao Ashikaga | Kazutoshi Iijima
Source: Frontiers in Toxicology (article, 2024-07-01)
Field: Materials Science — Materials Chemistry

Evaluation of the immunotoxicity potential of nanomaterials using THP-1 cells With the expansion of nanomaterials (NMs) usage, concerns about their toxicity are increasing, and the wide variety of NMs makes it difficult to assess their toxicity. Therefore, the development of a high-throughput, accurate, and certified method to evaluate the immunotoxicity of NMs is required. In this study, we assessed the immunotoxicity potential of various NMs, such as nanoparticles of silver, silica, and titanium dioxide, using the human Cell Line Activation Test (h-CLAT) at the cellular level. After exposure to silver nanoparticle dispersions, the expression levels of CD86 and CD54 increased, suggesting the activation of antigen-presenting cells (APCs) by silver nanoparticles. Quantification of silver ions eluted from silver nanoparticles and the activation of APCs by silver ions suggested that it was due to the release of silver ions. Silica nanoparticles also increased the expression of CD86 and/or CD54, and their activation ability correlated with the synthesis methods and hydrodynamic diameters. The ability of titanium dioxide to activate APCs differed depending on the crystal type and hydrodynamic diameter. These results suggest a potential method to evaluate the immunotoxicity potential of various NMs based on their ability to activate APCs using human monocytic THP-1 cells. This method will be valuable in assessing the immunotoxicity potential and elucidating the immunotoxic mechanisms of NMs. THP1 cell line ; Nanomaterials ; CD86 ; Silver nanoparticle ; Nanotoxicology ; Chemistry ; Nanotechnology ; Nanoparticle ; Cell biology ; Cell culture ; Materials science ; T cell ; Immunology ; Immune system ; Biology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Immunotoxicology and immune responses
Authors: Meryem Erdoğan | Kubra Emektar | Aslı Yorulmaz | Aziz Tekin
Source: International Journal of Food Science & Technology (article, 2024-09-23)
Field: Chemistry — Analytical Chemistry

Effects of pre-deacidification on 3-MCPDE and GE contents of high-acid oils during refining Abstract Crude fats and oils may have high free fatty acid (FFA) content depending on raw material quality and processing conditions. Their refining is always a challenge due to refining loss and the formation of some process contaminants such as 3-monochloropropane-1,2-diol esters (3-MCPDE), and glycidyl esters (GE). In this study, crude hazelnut oil having 12.10% FFA was degummed, bleached, and pre-deacidified by a molecular distillation (MD) unit before neutralisation and deodorisation. Changes in FFA, diglyceride(DG), 3-MCPDE, GE, and tocopherol contents were monitored. Almost no changes were detected in FFA and DG contents during degumming and bleaching while the latter resulted in the 3-MCPDE formation and GE reduction. Some tocopherol losses were also observed after these steps. On the other hand, a huge amount of FFA was distilled (from 12.10% to 1.71%) by the MD process performed at 200 °C, 0.25 mbar, as well as with a 53.6% loss of tocopherol. The samples were then subjected to deodorisation before (MD-PHY) and after neutralisation (MD-CHE) at 230 °C under 2 mbar absolute pressure for 2, 4, and 8 h. While some 3-MCPDE and GE formations were detected during MD-CHE, there were almost no formations in these contaminants after MD-PHY. When the bleached oil having 12.10% FFA was also directly deodorised at given conditions, no formations but some reductions in 3-MCPDE and GE contents of the oils were determined, possibly because of esterification of FFA with DGs that are an important precursor of these contaminants. Refining (metallurgy) ; Chemistry ; Food science ; Chromatography Petroleum Processing and Analysis ; Lubricants and Their Additives ; Thermal and Kinetic Analysis
Authors: Mehtap Sahiner | Aydın K. Sunol | Nurettin Şahiner
Source: Pharmaceutics (article, 2024-01-22)
Field: Chemistry — Analytical Chemistry

Cell Staining Microgels Derived from a Natural Phenolic Dye: Hematoxylin Has Intriguing Biomedical Potential Hematoxylin (HT) as a natural phenolic dye compound is generally used together with eosin (E) dye as H&E in the histological staining of tissues. Here, we report for the first time the polymeric particle preparation from HT as poly(Hematoxylin) ((p(HT)) microgels via microemulsion method in a one-step using a benign crosslinker, glycerol diglycidyl ether (GDE). P(HT) microgels are about 10 µm and spherical in shape with a zeta potential value of -34.6 ± 2.8 mV and an isoelectric point (IEP) of pH 1.79. Interestingly, fluorescence properties of HT molecules were retained upon microgel formation, e.g., the fluorescence emission intensity of p(HT) at 343 nm was about 2.8 times less than that of the HT molecule at λ<sub>ex</sub>: 300 nm. P(HT) microgels are hydrolytically degradable and can be controlled by using an amount of crosslinker, GDE, e.g., about 40%, 20%, and 10% of p(HT) microgels was degraded in 15 days in aqueous environments for the microgels prepared at 100, 200, and 300% mole ratios of GDE to HT, respectively. Interestingly, HT molecules at 1000 mg/mL showed 22.7 + 0.4% cell viability whereas the p(HT) microgels exhibited a cell viability of 94.3 + 7.2% against fibroblast cells. Furthermore, even at 2000 mg/mL concentrations of HT and p(HT), the inhibition% of α-glucosidase enzyme were measured as 93.2 ± 0.3 and 81.3 ± 6.3%, respectively at a 0.03 unit/mL enzyme concentration, establishing some potential application of p(HT) microgels for neurogenerative diseases. Moreover, p(HT) microgels showed two times higher MBC values than HT molecules, e.g., 5.0 versus 2.5 mg/mL MIC values against Gram-negative <i>E</i>. <i>coli</i> and Gram-positive <i>S. aureus</i>, respectively. Staining ; Chemistry ; H&E stain ; Biophysics ; Nanotechnology ; Biology ; Pathology ; Materials science ; Medicine Chromatography in Natural Products ; Biological Stains and Phytochemicals ; Phytochemistry and biological activity of medicinal plants
Authors: Jéssica de Oliveira Veloso Rezende | Michel Batista | Kelly Cavalcanti Machado | Thiago Bousquet Bandini | Igor Alexandre Côrtes de Menezes | Fernanda do Carmo De Stefani | Marlon Dias Mariano Santos | Paulo C. Carvalho | Louise Ulrich Kurt | Rodrigo Soares Caldeira Brant | Luís Gustavo Morello | Fabrício Klerynton Marchini
Source: Scientific Data (article, 2024-10-09)
Field: Chemistry — Spectroscopy

A dataset for developing proteomic tools for pathogen detection via differential cell lysis of whole blood samples This data descriptor presents a curated dataset for pathogen detection and identification (Staphylococcus aureus, Pseudomonas aeruginosa, and Candida albicans) directly from whole-blood samples. The dataset was created using differential cell lysis combined with rapid extraction, digestion, and mass spectrometry-based proteomics. Our method offers a rapid diagnostic alternative to traditional culture, enabling timely disease management, such as sepsis. Highlighting our dataset's uniqueness, it features a three-tier structure: Spectral Libraries of Pathogens for identifying peptide peaks for putative biomarkers; Spiked pathogen in blood MS data for biomarker panel optimization through varied concentration samples; and Parallel Reaction Monitoring (PRM) data from sepsis patients for validating our biomarker panel, achieving 83.3% sensitivity within seven hours without microbial enrichment culture. This dataset serves as a comprehensive reference for bioinformatic tool development and biomarker panel proposals, advancing microbial detection, antimicrobial resistance, and epidemiological studies. Lysis ; Computational biology ; Pathogen ; Biology ; Proteomics ; Differential (mechanical device) ; Microbiology ; Immunology ; Biochemistry ; Gene ; Engineering Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Biosensors and Analytical Detection
Authors: Hongxiao Chi | Jihao Liu | Jian Zhou | Dangshen Ma | Jinbo Gu
Source: Metals (article, 2024-04-19)
Field: Materials Science — Materials Chemistry

Influence of Microstructure on the Mechanical Properties and Polishing Performance of Large Prehardened Plastic Mold Steel Blocks The microstructures throughout a 696 × 1360 mm cross-section of an ISO 1.2738 prehardened steel block for a plastic mold were characterized via optical and electron microscopy and electron backscatter diffraction. The hardness, strength, and polishing performance of the steel block were also tested. The results showed that the microstructure of the steel bloom from the edge to the core consisted of tempered sorbite, tempered bainite, and pearlite microstructures. Abnormal upper bainite and coarse carbides were also found. The bloom sections with hardness values of 37.4 to 39.3 HRC comprised tempered sorbite and bainite. The hardness of the core was approximately 36.5 HRC due to the presence of pearlite. The tensile and yield strengths were the same in the edge and middle areas mainly owing to tempered sorbite. The polishing performance was affected by the microstructure. Tempered sorbite produced the best polishing performance due to its fine and uniform microstructure, whereas that of tempered bainite and pearlite, which contained large carbide particles and mixed phases, was worse. Bainite ; Microstructure ; Materials science ; Pearlite ; Metallurgy ; Carbide ; Polishing ; Ultimate tensile strength ; Optical microscope ; Scanning electron microscope ; Composite material ; Austenite Metal Alloys Wear and Properties ; Advanced materials and composites ; Microstructure and Mechanical Properties of Steels
Authors: M. Tamil Selvan | M. Somasundaram | A. Raja Annamalai
Source: Scientific Reports (article, 2024-10-28)
Field: Materials Science — Biomaterials

Optimizing dry milling of stir-cast and heat-treated AZ80 magnesium alloy using multiple criteria optimization technique: an experimental study The primary aspects of this research are to evaluate surface roughness, cutting force, and material removal rate and optimize it with dry milling process parameters for heat-treated and stir-cast AZ80 magnesium alloy. Multiple methodologies are utilized in the research, which includes the Integration of design of experiments-response surface methodology for experimental design with the technique for order of preference by similarity to ideal solution for multi-criteria optimization. In order to evaluate the effect of process parameters on the response, the experimental design manipulates the depth of cut, feed rate, and cutting speed in a systematic manner. An evaluation of the machined surface's quality is conducted via surface roughness measurements. Likewise, insights into the forces exerted during milling can be obtained through continuous monitoring of cutting forces. The calculation of material removal rate is predicated on weight reduction. The interaction between the depth of cut and feed rate has a significant impact on the critical-to-quality characteristics of the alloy, which has contribution percentage greater than 25%. This finding validates that despite the heat-treated alloy having a similar composition to the as-cast alloy (where the closeness coefficient is 0.9843), the optimal process parameters of the former are not applicable to the latter. Nevertheless, the technique used to prepare the specimen has no bearing on the material removal rate, which is a process parameter-specific effect. Materials science ; Alloy ; Magnesium alloy ; Surface roughness ; Response surface methodology ; Process (computing) ; Mechanical engineering ; Surface finish ; TOPSIS ; Process variable ; Metallurgy ; Computer science ; Composite material ; Mathematics ; Engineering Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Aluminum Alloy Microstructure Properties
Authors: Chong Wang | Xiaowei Zhang | Xiaoyu Liu | Jie Wang | Ting Cao | Di Xiao
Source: arXiv (Cornell University) (preprint, 2024-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Higher Landau-Level Analogs and Signatures of Non-Abelian States in Twisted Bilayer MoTe$_2$ Recent experimental discovery of fractional Chern insulators at zero magnetic field in moiré superlattices has sparked intense interests in bringing Landau level physics to flat Chern bands. In twisted MoTe$_2$ bilayers (tMoTe$_2$), recent theoretical and experimental studies have found three consecutive flat Chern bands at twist angle $\sim 2^\circ$. In this work, we investigate whether higher Landau level physics can be found in these consecutive Chern bands. At twist angles $2.00^\circ$ and $1.89^\circ$, we identify four consecutive $C = 1$ bands for the $K$ valley in tMoTe$_2$. By constructing Wannier functions directly from density functional theory (DFT) calculations, a six-orbital model is developed to describe the consecutive Chern bands, with the orbitals forming a honeycomb lattice. Exact diagonalization on top of Hartree-Fock calculations are carried out with the Wannier functions. Especially, when the second moiré miniband is half-filled, signatures of non-Abelian states are found. Our Wannier-based approach in modelling moiré superlattices is faithful to DFT wave functions and can serve as benchmarks for continuum models. The possibility of realizing non-Abelian anyons at zero magnetic field also opens up a new pathway for fault-tolerant quantum information processing. Bilayer ; Landau quantization ; Abelian group ; Physics ; Condensed matter physics ; Chemistry ; Mathematics ; Quantum mechanics ; Pure mathematics ; Membrane Organic and Molecular Conductors Research ; 2D Materials and Applications ; Inorganic Chemistry and Materials
Authors: P. Neumann | Jana L. Heidemann | J. Wollenhaupt | Achim Dickmanns | Michael Agthe | M.S. Weiss | Ralf Ficner
Source: Acta Crystallographica Section D Structural Biology (article, 2024-04-29)
Field: Materials Science — Materials Chemistry

A small step towards an important goal: fragment screen of the c-di-AMP-synthesizing enzyme CdaA CdaA is the most widespread diadenylate cyclase in many bacterial species, including several multidrug-resistant human pathogens. The enzymatic product of CdaA, cyclic di-AMP, is a secondary messenger that is essential for the viability of many bacteria. Its absence in humans makes CdaA a very promising and attractive target for the development of new antibiotics. Here, the structural results are presented of a crystallographic fragment screen against CdaA from Listeria monocytogenes, a saprophytic Gram-positive bacterium and an opportunistic food-borne pathogen that can cause listeriosis in humans and animals. Two of the eight fragment molecules reported here were localized in the highly conserved ATP-binding site. These fragments could serve as potential starting points for the development of antibiotics against several CdaA-dependent bacterial species. Biology ; Listeria monocytogenes ; Bacteria ; Enzyme ; Small molecule ; Microbiology ; Pathogen ; Biochemistry ; Computational biology ; Genetics Enzyme Structure and Function ; Biochemical and Molecular Research ; Antibiotic Resistance in Bacteria