jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Frank J. Tucci | Richard J. Jodts | Brian M. Hoffman | Amy C. Rosenzweig
Source: Nature Catalysis (article, 2023-11-06)
Field: Chemistry — Inorganic Chemistry

Product analogue binding identifies the copper active site of particulate methane monooxygenase Methane monooxygenase ; Active site ; Chemistry ; Substrate (aquarium) ; Anaerobic oxidation of methane ; Methane ; Catalysis ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Biology Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin and Phthalocyanine Chemistry ; Metalloenzymes and iron-sulfur proteins
Authors: Adeeba Shakeel | Peter R. Corridon
Source: Frontiers in Physiology (article, 2023-01-04)
Field: Materials Science — Biomaterials

Mitigating challenges and expanding the future of vascular tissue engineering—are we there yet? OPINION article Front. Physiol., 04 January 2023Sec. Integrative Physiology Volume 13 - 2022 | https://doi.org/10.3389/fphys.2022.1079421 Tissue engineering ; Computational biology ; Medicine ; Biology ; Computer science ; Biomedical engineering Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; 3D Printing in Biomedical Research
Authors: Natalia Drabińska | Monika Marcinkowska | Martyna N. Wieczorek | Henryk H. Jeleń
Source: Molecules (article, 2023-12-07)
Field: Chemistry — Analytical Chemistry

Application of Sorbent-Based Extraction Techniques in Food Analysis This review presents an outline of the application of the most popular sorbent-based methods in food analysis. Solid-phase extraction (SPE) is discussed based on the analyses of lipids, mycotoxins, pesticide residues, processing contaminants and flavor compounds, whereas solid-phase microextraction (SPME) is discussed having volatile and flavor compounds but also processing contaminants in mind. Apart from these two most popular methods, other techniques, such as stir bar sorptive extraction (SBSE), molecularly imprinted polymers (MIPs), high-capacity sorbent extraction (HCSE), and needle-trap devices (NTD), are outlined. Additionally, novel forms of sorbent-based extraction methods such as thin-film solid-phase microextraction (TF-SPME) are presented. The utility and challenges related to these techniques are discussed in this review. Finally, the directions and need for future studies are addressed. Sorbent ; Solid-phase microextraction ; Extraction (chemistry) ; Solid phase extraction ; Molecularly imprinted polymer ; Chromatography ; Flavor ; Chemistry ; Materials science ; Gas chromatography–mass spectrometry ; Mass spectrometry ; Adsorption ; Organic chemistry ; Food science Analytical chemistry methods development ; Analytical Chemistry and Chromatography ; Pesticide Residue Analysis and Safety
Authors: Peyman Pourali | Yousef Rashtbari | Aylar Behzad | Ali Ahmadfazeli | Yousef Poureshgh | Abdollah Dargahi
Source: Applied Water Science (article, 2023-03-19)
Field: Chemistry — Organic Chemistry

Loading of zinc oxide nanoparticles from green synthesis on the low cost and eco-friendly activated carbon and its application for diazinon removal: isotherm, kinetics and retrieval study Abstract Diazinon (DZN) has been reported as an important pesticide with wide application in agriculture. The entry of these compounds into water resources has brought serious environmental problems due to their resistance to biodegradation; thus, this study was considered to be done to explore the process of DZN uptake and the influence of effective parameters. The study was performed experimentally and on a laboratory scale. Investigating the structure and morphology of the nanocomposite was done based on different analyses, i.e., FE-SEM, FTIR, and XRD. The experiments based on the Box–Behnken scheme were performed by surveying four important operating parameters (pH, contact time, nanocomposite dose, and DZN concentration). Optimization was performed by experiment design software and using the response surface method and analysis of the proposed model. The DZN removal efficiency was obtained 100% under optimal conditions including pH = 5, nanocomposite dose = 0.83 g/L, reaction time = 55 min, and DZN concentration = 5 mg/L. Considering the high correlation coefficient R 2 = (0.9873) and $$R_{{{\text{Adj}}}}^{{2}}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msubsup> <mml:mi>R</mml:mi> <mml:mrow> <mml:mtext>Adj</mml:mtext> </mml:mrow> <mml:mn>2</mml:mn> </mml:msubsup> </mml:math> = (0.9725), the proposed model (quadratic) was approved. The results were indicative of conforming the reaction kinetic to the pseudo-second-order model and the correspondence of reaction isotherm to the Freundlich model ( R 2 = 0.997). Based on the obtained results, the adsorption process with AC–ZnO nanocomposite could be introduced as an efficient and eco-friendly technique to remove DZN. Freundlich equation ; Nanocomposite ; Diazinon ; Nuclear chemistry ; Adsorption ; Sawdust ; Chemistry ; Materials science ; Algorithm ; Pesticide ; Mathematics ; Nanotechnology ; Organic chemistry Nanomaterials for catalytic reactions ; Environmental remediation with nanomaterials ; Adsorption and biosorption for pollutant removal
Authors: K. Maghsoudi | Gelareh Momen | Reza Jafari
Source: Applied Materials Today (article, 2023-08-08)
Field: Materials Science — Surfaces, Coatings and Films

The thermodynamic stability of the Cassie–Baxter regime determined by the geometric parameters of hierarchical superhydrophobic surfaces Wetting ; Materials science ; Contact angle ; Wetting transition ; Fabrication ; Surface energy ; Microstructure ; Nanotechnology ; Silicone rubber ; Surface finish ; Surface roughness ; Replication (statistics) ; Composite material Surface Modification and Superhydrophobicity ; Adhesion, Friction, and Surface Interactions ; Advanced Sensor and Energy Harvesting Materials
Authors: Ka-Kin Wong | Hsueh-Chuan Hsu | Shih-Ching Wu | Wen-Fu Ho
Source: Materials (review, 2023-11-05)
Field: Materials Science — Materials Chemistry

A Review: Design from Beta Titanium Alloys to Medium-Entropy Alloys for Biomedical Applications β-Ti alloys have long been investigated and applied in the biomedical field due to their exceptional mechanical properties, ductility, and corrosion resistance. Metastable β-Ti alloys have garnered interest in the realm of biomaterials owing to their notably low elastic modulus. Nevertheless, the inherent correlation between a low elastic modulus and relatively reduced strength persists, even in the case of metastable β-Ti alloys. Enhancing the strength of alloys contributes to improving their fatigue resistance, thereby preventing an implant material from failure in clinical usage. Recently, a series of biomedical high-entropy and medium-entropy alloys, composed of biocompatible elements such as Ti, Zr, Nb, Ta, and Mo, have been developed. Leveraging the contributions of the four core effects of high-entropy alloys, both biomedical high-entropy and medium-entropy alloys exhibit excellent mechanical strength, corrosion resistance, and biocompatibility, albeit accompanied by an elevated elastic modulus. To satisfy the demands of biomedical implants, researchers have sought to synthesize the strengths of high-entropy alloys and metastable β-Ti alloys, culminating in the development of metastable high-entropy/medium-entropy alloys that manifest both high strength and a low elastic modulus. Consequently, the design principles for new-generation biomedical medium-entropy alloys and conventional metastable β-Ti alloys can be converged. This review focuses on the design from β-Ti alloys to the novel metastable medium-entropy alloys for biomedical applications. Materials science ; Metastability ; High entropy alloys ; Biocompatibility ; Elastic modulus ; Ductility (Earth science) ; Titanium alloy ; Corrosion ; Modulus ; Metallurgy ; Thermodynamics ; Composite material ; Alloy ; Chemistry ; Physics ; Creep Titanium Alloys Microstructure and Properties ; High Entropy Alloys Studies ; Advanced materials and composites
Authors: Momin Khan | Ghulam Ahad | Aftab Alam | Saeed Ullah | Ajmal Khan | Kanwal | Uzma Salar | Abdul Wadood | Amar Ajmal | Khalid Mohammed Khan | Shahnaz Perveen | Jalal Uddin | Ahmed Al‐Harrasi
Source: Heliyon (article, 2023-12-04)
Field: Chemistry — Organic Chemistry

Synthesis of new bis(dimethylamino)benzophenone hydrazone for diabetic management: In-vitro and in-silico approach Inhibiting α-glucosidase is a reliable method for reducing blood sugar levels in diabetic individuals. <i>Bis</i>(dimethylamino)benzophenone derivatives <b>1</b>-<b>27</b> were synthesized from <i>bis</i>(dimethylamino)benzophenone via two-step reaction. Different spectroscopic techniques, including EI-MS and 1H NMR, were employed to characterize all synthetic derivatives. The elemental composition of synthetic compounds was confirmed by elemental analysis and results were found in agreement with the calculated values. The synthetic compounds <b>1</b>-<b>27</b> were evaluated for <i>α</i>-glucosidase inhibitory activity, except five compounds all derivatives showed good to moderate inhibitory potential in the range of IC<sub>50</sub> = 0.28 ± 2.65 - 0.94 ± 2.20 μM. Among them, the most active compounds were <b>5</b>, <b>8</b>, <b>9</b>, and <b>12</b> with IC<sub>50</sub> values of 0.29 ± 4.63, 0.29 ± 0.93, 0.28 ± 3.65, and 0.28 ± 2.65, respectively. Furthermore, all these compounds were found to be non-toxic on human fibroblast cell lines (BJ cell lines). Kinetics study of compounds <b>8</b> and <b>9</b> revealed competitive type of inhibition with <i>Ki</i> values 2.79 ± 0.011 and 3.64 ± 0.012 μM, respectively. The binding interactions of synthetic compounds were also confirmed through molecular docking studies that indicated that compounds fit well in the active site of enzyme. Furthermore, a total of 30ns MD simulation was carried out for the most potent complexes of the series. The molecular dynamics study revealed that compound-8 and compound-12 were stable during the MD simulation. In silico ; Benzophenone ; Hydrazone ; In vitro ; Combinatorial chemistry ; Chemistry ; Pharmacology ; Computational biology ; Medicine ; Organic chemistry ; Biochemistry ; Biology Carbohydrate Chemistry and Synthesis ; Click Chemistry and Applications ; Chemical Synthesis and Analysis
Authors: Xiuhua Yin | Hong Zhou | Mengling Zhang | Juan Su | Xiao Wang | Sijie Li | Zaixing Yang | Zhenhui Kang | Ruhong Zhou
Source: Nature Communications (article, 2023-09-15)
Field: Materials Science — Biomaterials

C3N nanodots inhibits Aβ peptides aggregation pathogenic path in Alzheimer’s disease Despite the accumulating evidence linking the development of Alzheimer's disease (AD) to the aggregation of Aβ peptides and the emergence of Aβ oligomers, the FDA has approved very few anti-aggregation-based therapies over the past several decades. Here, we report the discovery of an Aβ peptide aggregation inhibitor: an ultra-small nanodot called C<sub>3</sub>N. C<sub>3</sub>N nanodots alleviate aggregation-induced neuron cytotoxicity, rescue neuronal death, and prevent neurite damage in vitro. Importantly, they reduce the global cerebral Aβ peptides levels, particularly in fibrillar amyloid plaques, and restore synaptic loss in AD mice. Consequently, these C<sub>3</sub>N nanodots significantly ameliorate behavioral deficits of APP/PS1 double transgenic male AD mice. Moreover, analysis of critical tissues (e.g., heart, liver, spleen, lung, and kidney) display no obvious pathological damage, suggesting C<sub>3</sub>N nanodots are biologically safe. Finally, molecular dynamics simulations also reveal the inhibitory mechanisms of C<sub>3</sub>N nanodots in Aβ peptides aggregation and its potential application against AD. Nanodot ; Neurite ; Cell biology ; Genetically modified mouse ; Amyloid (mycology) ; Transgene ; Peptide ; Cytotoxicity ; Protein aggregation ; Chemistry ; Alzheimer's disease ; In vitro ; Neuroscience ; Biology ; Disease ; Medicine ; Biochemistry ; Pathology ; Gene Supramolecular Self-Assembly in Materials ; Alzheimer's disease research and treatments ; Graphene and Nanomaterials Applications
Authors: Bai Yang Wang | Tiffany C. Wang | Yu‐Te Hsu | Motoki Osada | Kyuho Lee | Chunjing Jia | Caitlin Duffy | Danfeng Li | Jennifer Fowlie | M. R. Beasley | Thomas Devereaux | I. R. Fisher | N. E. Hussey | Harold Y. Hwang
Source: Science Advances (article, 2023-05-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effects of rare-earth magnetism on the superconducting upper critical field in infinite-layer nickelates The search for superconductivity in infinite-layer nickelates was motivated by analogy to the cuprates, and this perspective has framed much of the initial consideration of this material. However, a growing number of studies have highlighted the involvement of rare-earth orbitals; in that context, the consequences of varying the rare-earth element in the superconducting nickelates have been much debated. Here, we show notable differences in the magnitude and anisotropy of the superconducting upper critical field across the La-, Pr-, and Nd-nickelates. These distinctions originate from the 4<i>f</i> electron characteristics of the rare-earth ions in the lattice: They are absent for La<sup>3+</sup>, nonmagnetic for the Pr<sup>3+</sup> singlet ground state, and magnetic for the Nd<sup>3+</sup> Kramer's doublet. The unique polar and azimuthal angle-dependent magnetoresistance found in the Nd-nickelates can be understood to arise from the magnetic contribution of the Nd<sup>3+</sup> 4<i>f</i> moments. Such robust and tunable superconductivity suggests potential in future high-field applications. Superconductivity ; Condensed matter physics ; Magnetism ; Physics ; Critical field ; Context (archaeology) ; Cuprate ; Anisotropy ; Quantum mechanics ; Geology Magnetic and transport properties of perovskites and related materials ; Rare-earth and actinide compounds ; Advanced Condensed Matter Physics
Authors: Panzheng Zhou | Jiuling Yu | Kevin L. Sánchez‐Rivera | George W. Huber | Reid C. Van Lehn
Source: Green Chemistry (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Large-scale computational polymer solubility predictions and applications to dissolution-based plastic recycling We demonstrate a joint computational and experimental approach to predict polymer solubilities at a large scale. This approach can facilitate solvent screening and process design for dissolution-based plastic recycling processes. Dissolution ; Solubility ; Polymer ; Scale (ratio) ; Materials science ; Process engineering ; Chemical engineering ; Chemistry ; Environmental science ; Organic chemistry ; Composite material ; Engineering ; Physics Polymer crystallization and properties ; biodegradable polymer synthesis and properties ; Chemistry and Chemical Engineering
Authors: Lincoln Harris | William E. Fondrie | Sewoong Oh | William Stafford Noble
Source: Journal of Proteome Research (article, 2023-10-20)
Field: Chemistry — Spectroscopy

Evaluating Proteomics Imputation Methods with Improved Criteria Quantitative measurements produced by tandem mass spectrometry proteomics experiments typically contain a large proportion of missing values. Missing values hinder reproducibility, reduce statistical power, and make it difficult to compare across samples or experiments. Although many methods exist for imputing missing values, in practice, the most commonly used methods are among the worst performing. Furthermore, previous benchmarking studies have focused on relatively simple measurements of error such as the mean-squared error between imputed and held-out values. Here we evaluate the performance of commonly used imputation methods using three practical, "downstream-centric" criteria. These criteria measure the ability to identify differentially expressed peptides, generate new quantitative peptides, and improve the peptide lower limit of quantification. Our evaluation comprises several experiment types and acquisition strategies, including data-dependent and data-independent acquisition. We find that imputation does not necessarily improve the ability to identify differentially expressed peptides but that it can identify new quantitative peptides and improve the peptide lower limit of quantification. We find that MissForest is generally the best performing method per our downstream-centric criteria. We also argue that existing imputation methods do not properly account for the variance of peptide quantifications and highlight the need for methods that do. Missing data ; Imputation (statistics) ; Benchmarking ; Computer science ; Quantitative proteomics ; Data mining ; Statistical power ; Statistics ; Proteomics ; Machine learning ; Mathematics ; Chemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Advanced Biosensing Techniques and Applications
Authors: D.Yu. Kosyanov | A.A. Vornovskikh | О. О. Шичалин | Е. К. Папынов | A.A. Belov | Aleksandra A. Kosianova | Aleksandr N. Fedorets | А. А. Леонов | A. P. Zavjalov | Sergey A. Tikhonov | Yanbin Wang | Ziqiu Cheng | Xin Liu | Jiang Li
Source: Journal of Advanced Ceramics (article, 2023-02-24)
Field: Materials Science — Materials Chemistry

Reactive SPS of Al<sub>2</sub>O<sub>3</sub>–RE:YAG (RE = Ce; Ce+Gd) composite ceramic phosphors Ultrafine-grained Al<sub>2</sub>O<sub>3</sub>−RE:YAG (RE=Ce; Ce+Gd) composite ceramics were obtained for the first time by reactive SPS using commercially available initial oxide powders. The effect of key sintering parameters (temperature and dwell time, external pressure) on densification peculiarities, structural-phase state, and luminescent properties of composites was studied comprehensively. Differences in phase formation and densification between Ce-doped and Ce,Gd-codoped systems were shown. Parameters of reactive SPS at which there is partial melting with the formation of near-eutectic zones of the Al<sub>2</sub>O<sub>3</sub>−YAG system/coexistence of several variations of the YAG-type phase were established. Pure corundum-garnet biphasic ceramics with an optimal balance between microstructural and luminescence performance were synthesized at 1425°C / 30 min / 30-60 MPa. The external quantum efficiency of the phosphor converters reached 80.7% and 72% with close lifetimes of ~63.8 nsec, similarly to commercial Ce:YAG materials, which is promising for further application in the field of high-power white LEDs and LDs. Materials science ; Phosphor ; Eutectic system ; Ceramic ; Luminescence ; Corundum ; Composite number ; Phase (matter) ; Sintering ; Doping ; Oxide ; Composite material ; Analytical Chemistry (journal) ; Metallurgy ; Mineralogy ; Microstructure ; Optoelectronics Luminescence Properties of Advanced Materials ; Glass properties and applications ; Microwave Dielectric Ceramics Synthesis
Authors: Priyanka Kashyap | Sangeeta Verma | Pankaj Gupta | Rakesh Narang | Sukhbir Lal | Manish Devgun
Source: Medicinal Chemistry Research (review, 2023-05-29)
Field: Chemistry — Organic Chemistry

Recent insights into antibacterial potential of benzothiazole derivatives Benzothiazole ; Chemistry ; Antimicrobial ; Moiety ; Antibacterial activity ; Biochemistry ; DHPS ; Combinatorial chemistry ; Stereochemistry ; Biology ; Bacteria ; Organic chemistry Synthesis and biological activity ; Cancer therapeutics and mechanisms ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Tianshuai Wang | Chen Wu | Yang‐Gen Hu | Yan Zhang | Junkai Ma
Source: RSC Advances (review, 2023-01-01)
Field: Materials Science — Biomaterials

Stimuli-responsive nanocarrier delivery systems for Pt-based antitumor complexes: a review Platinum-based anticancer drugs play a crucial role in the clinical treatment of various cancers. However, the application of platinum-based drugs is heavily restricted by their severe toxicity and drug resistance/cross resistance. Various drug delivery systems have been developed to overcome these limitations of platinum-based chemotherapy. Stimuli-responsive nanocarrier drug delivery systems as one of the most promising strategies attract more attention. And huge progress in stimuli-responsive nanocarrier delivery systems of platinum-based drugs has been made. In these systems, a variety of triggers including endogenous and extracorporeal stimuli have been employed. Endogenous stimuli mainly include pH-, thermo-, enzyme- and redox-responsive nanocarriers. Extracorporeal stimuli include light-, magnetic field- and ultrasound responsive nanocarriers. In this review, we present the recent advances in stimuli-responsive drug delivery systems with different nanocarriers for improving the efficacy and reducing the side effects of platinum-based anticancer drugs. Nanocarriers ; Drug delivery ; Nanotechnology ; Chemistry ; Pharmacology ; Materials science ; Medicine Nanoparticle-Based Drug Delivery ; Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications
Authors: Xin Shi | Ruiyong Zhang | Wolfgang Sand | Krishnamurthy Mathivanan | Yimeng Zhang | Nan Wang | Jizhou Duan | Baorong Hou
Source: Microorganisms (review, 2023-08-30)
Field: Materials Science — Materials Chemistry

Comprehensive Review on the Use of Biocides in Microbiologically Influenced Corrosion A microbiologically influenced corrosion (MIC) causes huge economic losses and serious environmental damage every year. The prevention and control measures for MIC mainly include physical, chemical, and biological methods. Among them, biocide application is the most cost-effective method. Although various biocides have their own advantages in preventing and treating MIC, most biocides have the problem of polluting the environment and increasing microorganism resistance. Therefore, it has stimulated the exploration of continuously developing new environmentally friendly and efficient biocides. In this review, the application advantages and research progress of various biocides used to prevent and control MIC are discussed. Also, this review provides a resource for the research and rational use of biocides regarding MIC mitigation and prevention. Biocide ; Corrosion ; Environmental science ; Environmentally friendly ; Biochemical engineering ; Risk analysis (engineering) ; Waste management ; Engineering ; Business ; Chemistry ; Biology ; Materials science ; Ecology ; Metallurgy Corrosion Behavior and Inhibition ; Bacterial biofilms and quorum sensing ; Antimicrobial agents and applications