jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hursima Izgis | Elif Ilhan | Cevriye Kalkandelen | Emrah Celen | Mehmet Mücahit Güncü | Hilal Türkoğlu Şaşmazel | Oğuzhan Gündüz | Denisa Ficai | Anton Ficai | Gabriel Constantinescu
Source: Nanomaterials (article, 2022-09-01)
Field: Materials Science — Biomaterials

Manufacturing of Zinc Oxide Nanoparticle (ZnO NP)-Loaded Polyvinyl Alcohol (PVA) Nanostructured Mats Using Ginger Extract for Tissue Engineering Applications In this research, as an alternative to chemical and physical methods, environmentally and cost-effective antimicrobial zinc oxide nanoparticles (ZnO NP) were produced by the green synthesis method. The current study focuses on the production of ZnO NP starting from adequate precursor and <i>Zingiber officinale</i> aqueous root extracts (ginger). The produced ZnO NP was loaded into electrospun nanofibers at different concentrations for various tissue engineering applications such as wound dressings. The produced ZnO NPs and ZnO NP-loaded nanofibers were examined by Scanning Electron Microscopy (SEM) for morphological assessments and Fourier-transform infrared spectrum (FT-IR) for chemical assessments. The disc diffusion method was used to test the antimicrobial activity of ZnO NP and ZnO NP-loaded nanofibers against three representatives strains, <i>Escherichia coli</i> (Gram-negative bacteria), <i>Staphylococcus aureus</i> (Gram-positive bacteria), and Candida albicans (fungi) microorganisms. The strength and stretching of the produced fibers were assessed using tensile tests. Since water absorption and weight loss behaviors are very important in tissue engineering applications, swelling and degradation analyses were applied to the produced nanofibers. Finally, the MTT test was applied to analyze biocompatibility. According to the findings, ZnO NP-loaded nanofibers were successfully synthesized using a green precipitation approach and can be employed in tissue engineering applications such as wound dressing. Polyvinyl alcohol ; Nanofiber ; Materials science ; Biocompatibility ; Zinc ; Electrospinning ; Nanoparticle ; Tissue engineering ; Nuclear chemistry ; Fourier transform infrared spectroscopy ; Scanning electron microscope ; Chemical engineering ; Antimicrobial ; Polymer ; Nanotechnology ; Composite material ; Chemistry ; Organic chemistry ; Biomedical engineering Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Fatma Boukid
Source: Coatings (article, 2022-12-12)
Field: Materials Science — Biomaterials

Smart Food Packaging: An Umbrella Review of Scientific Publications The pivotal roles of smart packaging in the food industry are ensuring food quality and safety as well as providing consumers with important information about the food, allowing them to make more informed purchase/consumption decisions. The purpose of this study is to provide a holistic bibliometric analysis of smart food packaging. Bibliometric analysis collected 878 documents from the Scopus database. The annual trend revealed a three-phase growth, i.e., initial (1986–1999), development (2000–2016), and exponential (2017–2022). Since 2017, smart food packaging has attracted increasing research interest. From the keywords analysis, similar general topics of research were identified before and after the coronavirus outbreak (COVID-19). Remarkably, COVID-19 accelerated research and development toward finding sustainable and safe bio-based materials. However, most smart packaging materials are still not commercialized mainly due to the high cost of production and the absence of international standard regulations. Overall, academia is steps ahead in commercialization, where novel materials and mechanisms are tested for their efficiency and safety. The widespread of smart packaging relies on finding sustainable and safe solutions that are feasible at large scale and accepted by consumers. Commercialization ; Food packaging ; Scopus ; Business ; Food safety ; Risk analysis (engineering) ; Computer science ; Engineering ; Marketing ; MEDLINE ; Political science ; Medicine Nanocomposite Films for Food Packaging ; Advanced Sensor and Energy Harvesting Materials ; Consumer Packaging Perceptions and Trends
Authors: Tiago J. Ferreira | Beatriz A. de Moura | Laura M. Esteves | Patrícia M. Reis | José M. S. S. Esperança | Isabel A.A.C. Esteves
Source: Sustainable materials and technologies (article, 2022-12-24)
Field: Chemistry — Inorganic Chemistry

Biocompatible ammonium-based ionic liquids/ZIF-8 composites for CO2/CH4 and CO2/N2 separations The development of sorbent materials with high carbon dioxide (CO2) selectivity is of vital importance to minimize the impact of global warming by separating and capturing this major greenhouse gas. In this work, for the first time five ammonium-based ionic liquids (ILs) were impregnated into the metal-organic framework (MOF) ZIF-8 for gas sorption applications. Characterization results showed that the produced [email protected] composites are thermally stable and of microporous nature. IL impregnation was successfully accomplished and did not affect the crystalline structure of ZIF-8. Sorption-desorption equilibrium isotherms of different gases, including CO2, methane (CH4) and nitrogen (N2) were measured at 303 K for the pristine MOF and the composites. Given the careful choice of the ILs, the anion and cation effects were studied in terms of their impact on the sorption capacity and selectivity performance of each composite. Acetate-based composites showed high CO2 selectivity when compared to ZIF-8; specifically, the composite [N2 1 1 4][Ac]@ZIF-8 showed 51% increase, at 1 bar and for flue gas conditions. Because of the good CO2/N2 selectivity of the acetate-based composites, sorption-desorption equilibrium isotherms of the above-mentioned gases were also measured at 323 K, along with ZIF-8. Ideal selectivities were thus calculated to study the temperature impact on the selectivity performance of the materials. It can be observed that the higher the temperature, the less selective the materials are. Nevertheless, at 323 K and when compared to ZIF-8, the composite [N2 1 1 4][Ac]@ZIF-8 showed 56% increase, at 1 bar and for flue gas conditions. Finally, the isosteric heats of adsorption of ZIF-8 and the acetate-based ILs were calculated revealing that all gases are physisorbed by the three materials. Sorption ; Selectivity ; Sorbent ; Microporous material ; Ionic liquid ; Desorption ; Methane ; Composite number ; Materials science ; Metal-organic framework ; Chemical engineering ; Flue gas ; Chemistry ; Adsorption ; Composite material ; Organic chemistry ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Membrane Separation and Gas Transport
Authors: Shen Su
Source: Materials Research Express (article, 2022-02-01)
Field: Materials Science — Biomaterials

Compatibilization, processing and characterization of poly(butylene adipate terephthalate)/polylactide (PBAT/PLA) blends Abstract A blend of poly(butylene adipate terephthalate) (PBAT) and polylactide (PLA) is a combination of biodegradable materials. This study aims to prepare compatibilized PBAT/PLA in a cost-effective and timesaving way and to process the material into blown films by fine-tuning the processing parameters. First, a catalyst masterbatch is prepared by transesterification of PBAT and PLA in the presence of tetrabutyl titanate (TBT) as a catalyst. This is followed by the compounding of the two polymer types in combination with the catalyst masterbatch. Third, the compounds are processed into blown films and panels. The processing parameters for film blowing are set to reduce the anisotropy. Finally, the material properties are evaluated such as mechanical tests. The fine-tuning of parameter settings including the blow-up ratio and draw-down ratio results in a higher degree of isotropy of the blown film. By adding the catalyst masterbatch (2 wt%, which corresponds to TBT of approximately 0.002 wt% with copolymers formed) in combination with the fine-tuning of parameter settings, the samples achieved a significant improvement on the material properties. The morphology of the cryogenically fractured panel samples shows a decrease in the diameter of the dispersed phase. In the cross and machine directions, the elongation at break increased by 85 and 93%, and the trouser tear propagation resistance increased by 2.4 and 10 N mm −1 , respectively. Furthermore, both the elongation at break and the trouser tear propagation of the blown films achieved a higher degree of isotropy. Masterbatch ; Materials science ; Compounding ; Adipate ; Transesterification ; Composite material ; Compatibilization ; Elongation ; Biodegradable polymer ; Polymer ; Catalysis ; Polymer blend ; Copolymer ; Organic chemistry ; Nanocomposite biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Microplastics and Plastic Pollution
Authors: Yi Han | Prasenjit Das | Yiwen He | Dan C. Sorescu | Kenneth D. Jordan | Nathaniel L. Rosi
Source: Journal of the American Chemical Society (article, 2022-10-13)
Field: Chemistry — Inorganic Chemistry

Crystallographic Mapping and Tuning of Water Adsorption in Metal–Organic Frameworks Featuring Distinct Open Metal Sites Crucial steps toward designing water sorption materials and fine-tuning their properties for specific applications include precise identification of adsorption sites and establishment of rigorous molecular-level insight into the water adsorption process. We report stepwise crystallographic mapping and density functional theory computations of adsorbed water molecules in ALP-MOF-1, a metal-organic framework decorated with distinct open metal sites and carbonyl functional groups that serve as water anchoring sites for seeding the nucleation of a complex water network. Identification of an unusual water adsorption step in ALP-MOF-1 motivated the tuning of metal ion composition to adjust water uptake. These studies provide direct evidence that the identity of the open metal sites in MOFs can dramatically affect water adsorption behavior between 0 and ∼20% RH and that multiple proximal water anchoring sites along the MOF skeleton facilitate water uptake which could be potentially useful for applications requiring rapid and energetically facile water sorption. Adsorption ; Chemistry ; Metal-organic framework ; Sorption ; Molecule ; Metal ; Nucleation ; Metal ions in aqueous solution ; Chemical engineering ; Physical chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Enhanced Oil Recovery Techniques ; Covalent Organic Framework Applications
Authors: Yuhua Cao | Xiang Li | Gang Yu | Bo Wang
Source: Journal of Hazardous Materials (article, 2022-09-21)
Field: Chemistry — Inorganic Chemistry

Regulating defective sites for pharmaceuticals selective removal: Structure-dependent adsorption over continuously tunable pores Adsorption ; Mesoporous material ; Porosity ; Chemical engineering ; Isostructural ; Chemistry ; Wastewater ; Alkyl ; Metal-organic framework ; Specific surface area ; Nanotechnology ; Materials science ; Organic chemistry ; Catalysis ; Waste management ; Crystal structure Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Adsorption and biosorption for pollutant removal
Authors: Chompoonoot Nanthamathee | Chantamalinee Chantarangkul | Chanida Jakkrawhad | Apirak Payaka | Pongsathorn Dechatiwongse
Source: Heliyon (article, 2022-02-01)
Field: Chemistry — Inorganic Chemistry

Fine-tuning the dye adsorption capacity of UiO-66 by a mixed-ligand approach The mixed ligand synthetic approach offers an alternative to engineering a specific character in metal-organic framework (MOFs) materials. Herein, we synthesized and characterized a well-known prototype zirconium-based-MOF, so-called UiO-66, and its mixed ligand derivatives UiO-66-xATA, where x is mole fraction (0.5, 0.75, and 1.0) and ATA is 2-animoterephthalate. The study investigates whether the dye adsorption capacity can be tuned/enhanced by the ATA ligand substitution into the framework. We found that, at room temperature, UiO-66-0.75ATA shows the highest adsorption capacity toward various dye solutions, including methylene blue (MB), indigo carmine (IC), and congo red (CR). The optimum adsorption conditions in all four materials were in a common trend where their adsorption capacities can be increased with decreasing pH and adsorbent dose, increasing IC concentration, contact time, and temperature. Pseudo-second order kinetics model fits best with their adsorption data, where UiO-66-ATA has the fastest adsorption rate. Langmuir and Freundlich isotherms were found best to describe adsorption behavior in ATA-containing UiO-66 and UiO-66, respectively, where adsorption processes were found to be physisorption. Confirming by thermodynamic studies, the adsorption in all four materials occurred spontaneously, driven by entropy. Computational studies showed ligand to metal charge transfer where the distribution of electron densities was varied with the amount of functionalized ligand. Adsorption mechanism is proposed as a synergistic interplay between electrostatic interaction and hydrogen bonding. The findings in this work broaden the potential strategy to fine-tune the dye adsorption capacity in MOF materials. Adsorption ; Indigo carmine ; Metal-organic framework ; Freundlich equation ; Physisorption ; Ligand (biochemistry) ; Chemistry ; Hydrogen bond ; Langmuir ; Chemical engineering ; Inorganic chemistry ; Physical chemistry ; Organic chemistry ; Molecule Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography
Authors: Maya Beena | Jimna Mohamed Ameer | Naresh Kasoju
Source: ACS Omega (article, 2022-08-17)
Field: Materials Science — Biomaterials

Optically Clear Silk Fibroin Films with Tunable Properties for Potential Corneal Tissue Engineering Applications: A Process–Property–Function Relationship Study Owing to the shortage of donor corneas and issues associated with conventional corneal transplantation, corneal tissue engineering has emerged as a promising therapeutic alternative. Biocompatibility and other attractive features make silk fibroin a biomaterial of choice for corneal tissue engineering applications. The current study presents three modes of silk fibroin film fabrication by solvent casting with popular solvents, viz. aqueous (aq), formic acid (FA), and hexafluoroisopropanol (HFIP), followed by three standard modes of postfabrication annealing with water vapor, methanol vapor, and steam, and systematic characterization studies including corneal cell culture <i>in vitro</i>. The results indicated that silk fibroin films made from aq, FA, and HFIP solvents had surface roughness (Rq) of 1.39, 0.32, and 0.13, contact angles of 73°, 85°, and 89°, water uptake% of 58, 29, and 27%, swelling ratios of 1.58, 1.3, and 1.28, and water vapor transmission% of 39, 26, and 22%, respectively. The degradation rate was in the order of aq > HF > FA, whereas the tensile strength was in the order of aq < HF < FA. Further, the results of the annealing process indicated notable changes in morpho-topographical, physical, degradation, and tensile properties. However, the films showed no detectable changes in chemical composition and remained optically clear with >90% transmission in the visible range, irrespective of fabrication and postfabrication processing conditions. The films were noncytotoxic against L929 cells and were cytocompatible with rabbit cornea-derived SIRC cells <i>in vitro</i>. The study demonstrated the potential of fine-tuning various properties of silk fibroin films by varying the fabrication and postfabrication processing conditions. Fibroin ; SILK ; Biocompatibility ; Formic acid ; Materials science ; Tissue engineering ; Chemical engineering ; Solvent ; Aqueous solution ; Ultimate tensile strength ; Chemistry ; Composite material ; Nuclear chemistry ; Nanotechnology ; Polymer chemistry ; Biomedical engineering ; Chromatography ; Organic chemistry ; Metallurgy Silk-based biomaterials and applications ; Corneal Surgery and Treatments ; Electrospun Nanofibers in Biomedical Applications
Authors: Ju Hyun Oh | Benjamin P. Hay | Vincent M. Lynch | Hao Li | Jonathan L. Sessler | Sung Kuk Kim
Source: Journal of the American Chemical Society (article, 2022-09-08)
Field: Chemistry — Spectroscopy

Calix[4]pyrrole-Based Molecular Capsule: Dihydrogen Phosphate-Promoted 1:2 Fluoride Anion Complexation A molecular capsule (<b>1</b>) consisting of two calix[4]pyrroles connected via ethylene diamide linkers has been prepared as an anion receptor. <sup>1</sup>H NMR spectroscopic studies carried out in CD<sub>2</sub>Cl<sub>2</sub> revealed that receptor <b>1</b> recognizes a variety of anions with different binding modes and stoichiometries. For instance, receptor <b>1</b> binds fluoride and acetate with 1:2 receptor/anion stoichiometry and other test anions with 1:1 stoichiometry in solution when their respective tetrabutylammonium (TBA<sup>+</sup>) salts were used. In contrast, with tetraethylammnium (TEA<sup>+</sup>) salts, receptor <b>1</b> forms 1:2 complexes with chloride and bromide in addition to fluoride, overcoming expected Columbic repulsions between the anions co-bound in close proximity. Receptor <b>1</b> is also able to bind oxoanions, such as oxalate (C<sub>2</sub>O<sub>4</sub><sup>2-</sup>), dihydrogen phosphate (H<sub>2</sub>PO<sub>4</sub><sup>-</sup>), sulfate (SO<sub>4</sub><sup>2-</sup>), and hydrogen pyrophosphate (HP<sub>2</sub>O<sub>7</sub><sup>3-</sup>), in the form of 1:1 complexes as the result of presumed cooperation between the two calix[4]pyrrole subunits. The selectivity of receptor <b>1</b> for fluoride versus dihydrogen phosphate varies depending on their relative concentrations. For instance, in the presence of less than 1.0 equiv of an equimolar mixture of fluoride and dihydrogen phosphate, receptor <b>1</b> shows high selectivity for dihydrogen phosphate. In contrast, in the presence of ≥2.0 anion equiv, receptor <b>1</b> binds fluoride preferentially, forming a 1:2 complex. Moreover, when treated with F<sup>-</sup>, the preformed 1:1 H<sub>2</sub>PO<sub>4</sub><sup>-</sup> complex of receptor <b>1</b> is converted to the corresponding 1:2 receptor/fluoride complex with the release of the prebound dihydrogen phosphate anion. As inferred from gas-phase computations, this seemingly counterintuitive behavior is rationalized in terms of the precomplexed dihydrogen phosphate serving to reduce the reorganization energy required to bind two fluoride anions. The presence of a water molecule in addition to the bound fluoride anions may also favor the formation of the 1:2 F<sup>-</sup> complex. The present study provides a new approach for fine-tuning the binding selectivity of polytopic anion receptors. Chemistry ; Fluoride ; Pyrophosphate ; Inorganic chemistry ; Phosphate ; Stoichiometry ; Selectivity ; Medicinal chemistry ; Organic chemistry ; Catalysis Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes
Authors: Boyang Hu | Ruijie Liu | Qingyue Liu | Zian Lin | Yiwei Shi | Jun Li | Lijun Wang | Longjie Li | Xianjin Xiao | Yuzhou Wu
Source: Journal of Materials Chemistry B (review, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineering surface patterns on nanoparticles: new insights into nano-bio interactions The surface properties of nanoparticles affect their fate in biological systems. Based on nanotechnology and its methodology, pioneering studies have explored the effects of chemical surface patterns on the behavior of nanoparticles and provided many new insights into nano-bio interfaces. In this review, we would like to provide a summary of how the nanoparticle surface pattern modulates its biological effects. The relationship between the surface pattern of nanoparticles and the generated interaction with cell membranes, recognition of viruses and adsorption of proteins was discussed. On this basis, we believe that a reasonable design of the surface microstructure will promote the application of artificial nanoparticles in biomedicine and provide a new strategy for improving the design of nano-drug carriers. Nanoparticle ; Materials science ; Nanotechnology ; Surface (topology) ; Nano- ; Surface engineering ; Composite material ; Mathematics ; Geometry Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Nanoparticle-Based Drug Delivery
Authors: Alexey V. Eroshin | Arseniy A. Otlyotov | Ilya A. Kuzmin | Pavel A. Stuzhin | Yuriy A. Zhabanov
Source: International Journal of Molecular Sciences (article, 2022-01-15)
Field: Materials Science — Materials Chemistry

DFT Study of the Molecular and Electronic Structure of Metal-Free Tetrabenzoporphyrin and Its Metal Complexes with Zn, Cd, Al, Ga, In The electronic and molecular structures of metal-free tetrabenzoporphyrin (<b>H<sub>2</sub>TBP</b>) and its complexes with zinc, cadmium, aluminum, gallium and indium were investigated by density functional theory (DFT) calculations with a def2-TZVP basis set. A geometrical structure of <b>ZnTBP</b> and <b>CdTBP</b> was found to possess D<sub>4h</sub> symmetry; <b>AlClTBP</b>, <b>GaClTBP</b> and <b>InClTBP</b> were non-planar complexes with C<sub>4v</sub> symmetry. The molecular structure of <b>H<sub>2</sub>TBP</b> belonged to the point symmetry group of D<sub>2h</sub>. According to the results of the natural bond orbital (NBO) analysis, the M-N bonds had a substantial ionic character in the cases of the Zn(II) and Cd(II) complexes, with a noticeably increased covalent contribution for Al(III), Ga(III) and In(III) complexes with an axial -Cl ligand. The lowest excited states were computed with the use of time-dependent density functional theory (TDDFT) calculations. The model electronic absorption spectra indicated a weak influence of the nature of the metal on the Q-band position. Metal ; Zinc ; Chemistry ; Inorganic chemistry ; Materials science ; Crystallography ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Molecular Junctions and Nanostructures ; Photochemistry and Electron Transfer Studies