jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Amel Taha | Enshirah Da’na
Source: Polymers (article, 2022-02-16)
Field: Materials Science — Materials Chemistry

Phyto-Assisted Assembly of Metal Nanoparticles in Chitosan Matrix Using S. argel Leaf Extract and Its Application for Catalytic Oxidation of Benzyl Alcohol The design and synthesis of eco-friendly solid-supported metal nanoparticles with remarkable stability and catalytic performance have gained much attention for both industrial and environmental applications. This study provides a novel, low-cost, simple, and eco-friendly approach for decorating cross-linked chitosan with gold nanoparticles (AuNPs), greenly prepared with <i>Solenostemma argel</i> (<i>S. argel</i>) leaf extract under mild conditions. Glutaraldehyde-modified chitosan beads were used to coordinate with Au(III) ions and act as stabilizing agents, and <i>S. argel</i> leaf extract was used as a cost-effective phyto-reducing agent to reduce gold ions to elemental Au nanoparticles. The successful cross-linking of chitosan with glutaraldehyde, the coordination of Au(III) ions into the chitosan matrix, and the phytochemical reduction of Au(III) to Au nanoparticles were investigated via FT-IR spectroscopy. The obtained Au nanoparticles have a uniform spherical shape and size <10 nm, as confirmed by both X-ray diffraction (XRD) (~8.8 nm) and TEM (6.0 ± 3 nm). The uniformity of the AuNPs' size was confirmed by Scanning Electron Microscopy (SEM) and Transition Electron Microscopy (TEM). The powder X-ray diffraction technique showed crystalline AuNPs with a face-centered cubic structure. The elemental analysis and the Energy Dispersive Spectroscopy (EDS) analysis both confirmed the successful integration of Au nanoparticles with the chitosan network. The catalytic activity of this highly stable nanocomposite was systematically investigated via the selective oxidation of benzyl alcohol to benzaldehyde. Results showed a remarkable conversion (97%) and excellent selectivity (99%) in the formation of benzaldehyde over other side products. Benzyl alcohol ; Chitosan ; Catalysis ; Metal ; Nanoparticle ; Matrix (chemical analysis) ; Materials science ; Nuclear chemistry ; Combinatorial chemistry ; Polymer chemistry ; Chemistry ; Organic chemistry ; Nanotechnology ; Composite material Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions ; Medicinal Plants and Neuroprotection
Authors: Basam W. Mahde | Ahmed M. Sultan | Makarim A. Mahdi | Layth S. Jasim
Source: International Journal of Drug Delivery Technology (article, 2022-12-25)
Field: Chemistry — Organic Chemistry

Kinetic Adsorption and Release Study of Sulfadiazine Hydrochloride Drug from Aqueous Solutions on GO/P(AA-AM-MCC) Composite The composite was made by free radical polymerization of graphene oxide and acrylic acid, with microcrystalline cellulose and acryl amid serving as the monomer, N, N-methylene bis- acryl amide (MBA) as the cross linker and potassium persulfate (KPS) as the initiator. Graphene oxide/ poly (acrylic acid-acryl amid-microcrystalline cellulose) [GO/P(AA-AM-MCC)] super adsorbent composite characterized by Fourier transform infrared (FTIR) Field emission scanning electron microscopy (FESEM) Acute Flaccid Myelitis (AFM) Differential scanning calorimetry (DSC) thermogravimetric analysis (TGA) and Brunauer–Emmett–Teller (BET). A sulfadiazine drug (SFDH) was removed from an aqueous solution using the synthesized composite as an adsorbent. To learn more about the adsorption process, we used data from the Langmuir and Freundlich models equation. The study clarified the impact of some parameters, such as adsorbate weight at the range of 0.01–0.1 g, and equilibrium time at the range (1–360) minutes. It is found that the best weight of adsorbate was 0.05 gm and a contact time was 120 minutes. Adsorption appears to follow the Freundlich and Langmuir isotherms; the kinetics of drug adsorption have been investigated using pseudo-first order and pseudo-second order rate expressions. The synthesized adsorbent also demonstrated a very high release rate and high removal efficiency of the drug SFDH from its aqueous solution. Freundlich equation ; Thermogravimetric analysis ; Adsorption ; Langmuir ; Aqueous solution ; Acrylic acid ; Langmuir adsorption model ; Polymer chemistry ; Chemistry ; Nuclear chemistry ; Microcrystalline cellulose ; Materials science ; Cellulose ; Organic chemistry ; Monomer Synthesis of Tetrazole Derivatives ; Synthesis and Characterization of Heterocyclic Compounds ; Chemical Synthesis and Reactions
Authors: Xinling Liu | Ren-Hua Jin
Source: Chemical Synthesis (article, 2022-01-01)
Field: Chemistry — Organic Chemistry

Recent topics on circularly polarized luminescence generated by inorganic materials Circularly polarized luminescence (CPL) is an interesting phenomenon representing the unequal emission of left-handed and right-handed polarized light from an emitter. CPL is promising in chirality characterizations and various optical applications. Traditionally, research on CPL is centered on organic substances. In recent years, CPL present on inorganic ones has also become a nascent topic, which is significant to explore novel chirality- and luminescence-related properties and applications in inorganic materials. This minireview summarizes the recent progress on the following two aspects: 1) how to endow common inorganic luminophores with CPL activity; 2) how to use emerging chiral inorganic nanomaterials to design CPL-active systems. The general synthesis strategies, optical properties, applications and outlook of CPL-active inorganic materials are demonstrated. Luminescence ; Chirality (physics) ; Nanotechnology ; Nanomaterials ; Circular polarization ; Materials science ; Optical materials ; Optoelectronics ; Optics ; Physics Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Hirokazu Tsukamoto | Kazuya Ito | Tatsuhiko Ueno | Mitsugu Shiraishi | Yoshinori Kondo | Takayuki Doi
Source: Chemistry - A European Journal (article, 2022-11-05)
Field: Chemistry — Organic Chemistry

Palladium(0)‐Catalyzed <i>Anti</i>‐Selective Addition‐Cyclizations of Alkynyl Electrophiles Palladium(0)/monophosphine complexes catalyze anti-selective alkylative, arylative, and alkynylative cyclizations of alkynyl electrophiles with organometallic reagents. The remarkable anti-selectivity results from novel oxidative addition, that is, the nucleophilic attack of electron-rich palladium(0) on the electrophile across the alkyne followed by transmetalation and reductive elimination ("anti-Wacker"-type cyclization). With regard to 5-alkynals, triphenylphosphine (PPh<sub>3</sub> )-ligated palladium(0) catalyzes the cyclization of terminal alkynes and conjugated alkenyl- or alkynyl-substituted ones to afford 2-cyclohexen-1-ol and 2-alkylidene-cyclopentanol derivatives, respectively. For 6-alkyl- or 6-aryl-5-alkynals, the cyclization does not proceed with the palladium/PPh<sub>3</sub> catalyst; however, it does proceed with palladium/tricyclohexylphosphine (PCy<sub>3</sub> ), to yield the former products predominantly. Remarkably, the latter catalyst completely switches the regioselectivity in the cyclization of the conjugated diyne-aldehydes. Notably, palladium/PPh<sub>3</sub> -catalyzed cyclizations also proceed with other organometallics or even without them. Palladium ; Chemistry ; Electrophile ; Transmetalation ; Regioselectivity ; Nucleophile ; Alkyne ; Reductive elimination ; Aryl ; Catalysis ; Medicinal chemistry ; Triphenylphosphine ; Oxidative addition ; Organic chemistry ; Alkyl ; Combinatorial chemistry Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Catalytic Alkyne Reactions
Authors: Francesca Moret | Claudia Conte | Diletta Esposito | Giovanni Dal Poggetto | Concetta Avitabile | Francesca Ungaro | Natascia Tiso | Alessandra Romanelli | Paola Laurienzo | Elena Reddi | Fabiana Quaglia
Source: Drug Delivery and Translational Research (article, 2022-01-01)
Field: Materials Science — Biomaterials

Biodegradable nanoparticles combining cancer cell targeting and anti-angiogenic activity for synergistic chemotherapy in epithelial cancer A biodegradable engineered nanoplatform combining anti-angiogenic activity and targeting of cancer cells to improve the anticancer activity of docetaxel (DTX) is here proposed. Indeed, we have developed biodegradable nanoparticles (NPs) of poly(ethylene glycol)-poly(ε-caprolactone), exposing on the surface both folate motifs (Fol) for recognition in cells overexpressing Folate receptor-α (FRα) and the anti-angiogenic hexapeptide aFLT1. NPs showed a size around 100 nm, the exposure of 60% of Fol moieties on the surface, and the ability to entrap DTX and sustain its release with time. NPs were stable in simulated biological fluids and slightly interacted with Fetal Bovine serum, especially in the formulation decorated with Fol and aFLT1. The presence of Fol on NPs did not impair the anti-angiogenic activity of aFLT1, as assessed by in vitro tube formation assay in HUVEC endothelial cells. In both 2D and 3D KB cell cultures in vitro, the cytotoxicity of DTX loaded in NPs was not significantly affected by Fol/aFLT1 double decoration compared to free DTX. Remarkably, NPs distributed differently in 3D multicellular spheroids of FRα-positive KB cancer cells depending on the type of ligand displayed on the surface. In particular, NPs unmodified on the surface were randomly distributed in the spheroid, whereas the presence of Fol promoted the accumulation in the outer rims of the spheroid. Finally, NPs with Fol and aFLT1 gave a uniform distribution throughout the spheroid structure. When tested in zebrafish embryos xenografted with KB cells, NPs displaying Fol/aFLT1 reduced DTX systemic toxicity and inhibited the growth of the tumor mass and associated vasculature synergistically. Overall, nanotechnology offers excellent ground for combining therapeutic concepts in cancer, paving the way to novel multifunctional nanopharmaceuticals decorated with bioactive elements that can significantly improve therapeutic outcomes. Spheroid ; Cytotoxicity ; Chemistry ; Cancer cell ; In vitro ; Docetaxel ; Ethylene glycol ; Biophysics ; Fetal bovine serum ; Folate receptor ; Toxicity ; Cell biology ; Cancer research ; Molecular biology ; Cancer ; Biochemistry ; Biology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Zainab Kadhim Al-Khazragie | Bushra Kamel Al-Salami | Adnan Jassim Mohammed Al‐Fartosy
Source: Indonesian Journal of Chemistry (article, 2022-07-06)
Field: Chemistry — Organic Chemistry

Synthesis, Antimicrobial, Antioxidant, Toxicity and Anticancer Activity of a New Azetidinone, Thiazolidinone and Selenazolidinone Derivatives Based on Sulfonamide A new series of azetidinone (Z2a-Z2e, Z2g), thiazolidinone and selenazolidinone derivatives (Z2B, Z2E, Z2B', Z2E') based on sulfonamide have been synthesized and characterized by different instrumental techniques, such as elemental analyses, FTIR, multinuclear NMR (1H, 13C) and mass spectrometry. The tested compound containing selenium (Z2E') was less toxic than its analogs containing sulfur (Z2E) based on the LD50 value determined by Dixon's up and down method. All compounds showed antibacterial properties, however, Z2E' was more active against Gram-negative bacteria: Escherichia coli and Pseudomonas aeruginosa than Gram-positive ones: Streptococcus aureus and Bacillus, with the lowest MIC value of 5 mg/mL. All compounds showed good antioxidant activity at a lower rate than the standard compound BHT (82%). More precisely, Z2b was the main compound that possess strong activity as an antioxidant (73%). MTT viability assay showed that all tested compounds had cytotoxic effects on MCF-7 cells after 72 h of treatment. Our results revealed that Z2E' and Z2E compounds possessed strong activity (IC50 = 24.8 and 90.9 µg/mL, respectively) against MCF-7 cells at a higher rate than the standard compound 5-FU (IC50 = 97.47 µg/mL). Our results indicated that Z2E' had a promising bioactive scaffold of great medicinal interest due to their numerous pharmacological and biological activities. Chemistry ; Antimicrobial ; Antioxidant ; Antibacterial activity ; Sulfonamide ; Minimum inhibitory concentration ; IC50 ; Stereochemistry ; Nuclear chemistry ; Bacteria ; Organic chemistry ; In vitro ; Biochemistry Synthesis of β-Lactam Compounds ; Synthesis and biological activity ; Garlic and Onion Studies
Authors: Zhixia Li | Yuting Li | Xiaomei Lin | Yuntao Cui | Ting Wang | Jian Dong | Yuan Lu
Source: Bioresources and Bioprocessing (article, 2022-03-21)
Field: Materials Science — Biomaterials

Supramolecular protein assembly in cell-free protein synthesis system Protein-based biomaterials have the characteristics of stability and biocompatibility. Based on these advantages, various bionic materials have been manufactured and used in different fields. However, current protein-based biomaterials generally need to form monomers in cells and be purified before being assembled in vitro. The preparation process takes a long time, and the complex cellular environment is challenging to be optimized for producing the target protein product. Here this study proposed technology for in situ synthesis and assembly of the target protein, namely the cell-free protein synthesis (CFPS), which allowed to shorten the synthesis time and increase the flexibility of adding or removing natural or synthetic components. In this study, successful expression and self-assembly of the dihedral symmetric proteins proved the applicability of the CFPS system for biomaterials production. Furthermore, the fusion of different functional proteins to these six scaffold proteins could form active polymers in the CFPS system. Given the flexibility, CFPS is expected to become a powerful tool as the prototyping and manufacturing technology for protein-based biomaterials in the future. Scaffold ; Flexibility (engineering) ; Cell-free protein synthesis ; Protein engineering ; Nanotechnology ; Computer science ; Materials science ; Chemistry ; Protein biosynthesis ; Engineering ; Biomedical engineering ; Biochemistry ; Mathematics Silk-based biomaterials and applications ; Bacteriophages and microbial interactions ; Biochemical and Structural Characterization
Authors: MARÍA FLORENCIA COLLA | Agustina I. Lencina | Marı́a Eugenia Farı́as
Source: Anais da Academia Brasileira de Ciências (article, 2022-01-01)
Field: Materials Science — Biomaterials

Diatom and Invertebrate Assemblages in High Altitude Saline Wetlands of the Argentinian Puna and their Relation to Environmental Factors Aquatic biota in high altitude Andean wetlands is exposed to extreme environmental conditions that influence ecological parameters at population and community levels. We analyzed changes in occurrence, taxa richness and relative abundance of diatom and invertebrate assemblages in four saline wetlands located at the same altitude (approx. 3,330 masl), in the Salar de Antofalla (Catamarca, Argentina). Biological samples were taken seasonally during a 1-year period, together with water variables, which were used in ordination techniques to characterize the sites. Water ionic content and biological variables, such as microcrustacean abundance and diatom richness, were evaluated as possible factors affecting the assemblages’ distribution. The wetlands ranged from meso- to hyperhaline habitats and showed distinctive morphological, physical and chemical characteristics. Diatoms (42 taxa) and invertebrates (15 taxa) were collected from all sites, and diatom taxa richness was negatively correlated with water conductivity. According to multivariate analysis, the distribution of both communities was significantly explained by water hardness, whereas copepod abundance also influenced the diatom flora. We conclude that, at the same altitude and, consequently, UV radiation exposure, variables related to ionic content and/or biological parameters of the aquatic habitat may act as determinants of the biota distribution in these extreme environments. Diatom ; Altitude (triangle) ; Wetland ; Invertebrate ; Relation (database) ; Ecology ; Geography ; Environmental science ; Biology ; Mathematics Diatoms and Algae Research ; Aquatic Ecosystems and Phytoplankton Dynamics ; Freshwater macroinvertebrate diversity and ecology
Authors: Anna Quaglieri | Joseph Bloom | Aaron Triantafyllidis | Bradley Green | Mark R. Condina | Paula Burton Ngov | Giuseppe Infusini | Andrew I. Webb
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2022-12-14)
Field: Chemistry — Spectroscopy

Mass Dynamics 2.0: An improved modular web-based platform for accelerated proteomics insight generation and decision making ABSTRACT Data processing is essential to reliably generate knowledge from proteomics studies. The complexity of the proteomics data, as well as the ability of research teams to adopt complex analysis pipelines, have proven to be an obstacle to effective collaboration and more efficient biological insight generation. Here, we introduce MD 2.0, a cloud- and web-based platform for quantitative proteomics data, which implements a novel analysis workspace where statistical analyses, visualizations, and external knowledge generation are integrated into a modular framework. This modularity enables researchers the flexibility to test different hypotheses, and customize and template complex proteomics analyses, thereby expediting insight generation for complex datasets. The extensible MD 2.0 environment has been built with a scalable architecture to allow rapid development of future analysis modules and enhanced tools for remote collaboration, like experiment sharing and a live chat capability. The new drag-and-drop modules allow researchers to easily and quickly assess different aspects of an experiment, including quality control, differential expression and enrichment analysis. The modularity of MD 2.0 lays the foundation to support broader community-based analytical template generation and optimized sharing and collaboration between proteomics experts and biologists, thereby accelerating research teams’ abilities to extract knowledge from complex proteomics datasets. Computer science ; Modularity (biology) ; Modular design ; Proteomics ; Data science ; Scalability ; Cloud computing ; Flexibility (engineering) ; Database Advanced Proteomics Techniques and Applications ; Bioinformatics and Genomic Networks ; Cell Image Analysis Techniques
Authors: Drake Austin | Paige Miesle | Deanna Sessions | Michael J. Motala | David C. Moore | Griffin Beyer | Adam Miesle | Andrew Sarangan | Amritanand Sebastian | Saptarshi Das | Anand B. Puthirath | Xiang Zhang | Jordan A. Hachtel | Pulickel M. Ajayan | Tyson Back | Peter R. Stevenson | Michael Brothers | Steve Kim | Philip R. Buskohl | Rahul Rao | Christopher Muratore | Nicholas R. Glavin
Source: ACS Applied Nano Materials (article, 2022-05-10)
Field: Materials Science — Materials Chemistry

High Throughput Data-Driven Design of Laser-Crystallized 2D MoS<sub>2</sub> Chemical Sensors: A Demonstration for NO<sub>2</sub> Detection High throughput characterization and processing techniques are becoming increasingly necessary to navigate multivariable, data-driven design challenges for sensors and electronic devices. For two-dimensional materials, device performance is highly dependent upon a vast array of material properties including the number of layers, lattice strain, carrier concentration, defect density, and grain structure. In this work, laser crystallization was used to locally pattern and transform hundreds of regions of amorphous MoS2 thin films into 2D 2H-MoS2. A high throughput Raman spectroscopy approach was subsequently used to assess the process-dependent structural and compositional variations for each illuminated region, yielding over 6000 distinct nonresonant, resonant, and polarized Raman spectra. The rapid generation of a comprehensive library of structural and compositional data elucidated important trends between structure–property processing relationships involving laser-crystallized MoS2, including the relationships between grain size, grain orientation, and intrinsic strain. Moreover, extensive analysis of structure/property relationships allowed for intelligent design and evaluation of major contributions to device performance in MoS2 chemical sensors. In particular, it is found that NO2 sensor performance is strongly dependent on the orientation of the MoS2 grains relative to the crystal plane. Raman spectroscopy ; Materials science ; Amorphous solid ; Crystallization ; Throughput ; Laser ; Optoelectronics ; Nanotechnology ; Computer science ; Crystallography ; Optics ; Chemical engineering ; Chemistry 2D Materials and Applications ; Gas Sensing Nanomaterials and Sensors ; Perovskite Materials and Applications
Authors: Xingman Hu | Zhuguang Nie | Feng Yang | Jie Su | Haiming Li | Panhong Deng | Jinqiu Chen | Kaijie Gong | Shuhua Qi | Rumin Wang
Source: Diamond and Related Materials (article, 2022-07-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Highly conductive and flexible electromagnetic shielding film obtained by molding an expanded graphite/silver/sodium alginate aerogel Aerogel ; Graphite ; Electromagnetic shielding ; Electrical conductor ; Materials science ; Composite material ; Sodium alginate ; Molding (decorative) ; Sodium ; Metallurgy Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies
Authors: Antonio Sorrentino | Ion Victor Gosea | Bansidhar Patel | Athanasios C. Antoulas | Tanja Vidaković‐Koch
Source: SSRN Electronic Journal (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Loewner Framework and Distribution of Relaxation Times of Electrochemical Systems: Solving Issues Through a Data-Driven Modeling Approach Distribution (mathematics) ; Relaxation (psychology) ; Computer science ; Applied mathematics ; Mathematics ; Mathematical analysis ; Psychology Machine Learning in Materials Science ; Electrochemical Analysis and Applications ; Fuel Cells and Related Materials
Authors: Fabrice Gritti | Nicole Trebel | Alexandra Höltzel | Ulrich Tallarek
Source: Journal of Chromatography A (article, 2022-11-03)
Field: Chemistry — Spectroscopy

Prediction of surface excess adsorption and retention factors in reversed-phase liquid chromatography from molecular dynamics simulations Chemistry ; Adsorption ; Chromatography ; Acetonitrile ; Reversed-phase chromatography ; Ethylbenzene ; Analytical Chemistry (journal) ; Phase (matter) ; Analyte ; Capacity factor ; Size-exclusion chromatography ; High-performance liquid chromatography ; Benzene ; Organic chemistry Analytical Chemistry and Chromatography ; Chromatography in Natural Products ; Protein purification and stability