jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ella‐Louise Handley | Anthony Callanan
Source: Journal of Applied Polymer Science (article, 2023-05-26)
Field: Materials Science — Biomaterials

Effects of electrospun fibers containing ascorbic acid on oxidative stress reduction for cardiac tissue engineering Tissue engineering provides promise for regeneration of cardiac tissue following myocardial infarction. However, the harsh microenvironment of the infarct hampers the efficacy of regenerative therapies. Ischemia-reperfusion injury dramatically increases the levels of reactive oxygen species (ROS) within the infarcted area, causing a cascade of further cellular injury. Implantable tissue engineered grafts can target this oxidative stress by delivering pharmaceutical compounds directly into the diseased tissue. Herein, we successfully fabricated electrospun polycaprolactone (PCL) fibers containing varying concentrations of ascorbic acid, a potent antioxidant well known for its ROS-scavenging capabilities. The antioxidant scaffolds displayed significantly improved scavenging of DPPH radicals, superoxide anions and hydroxyl radicals, in a dose dependent manner. Mechanical properties testing indicated that incorporation of ascorbic acid enhanced the strength and Young's modulus of the material, correlating with a moderate but non-significant increase in the crystallinity. Moreover, the scaffolds supported adhesion and maintained survival of human umbilical vein endothelial cells in vitro, indicating good cytocompatibility. These results provide motivation for the use of ascorbic acid-containing fibrous scaffolds to regulate the highly oxidative microenvironment following myocardial infarction. Ascorbic acid ; Oxidative stress ; Reactive oxygen species ; Antioxidant ; Chemistry ; Tissue engineering ; DPPH ; Radical ; Biophysics ; Biochemistry ; Biomedical engineering ; Medicine ; Biology ; Food science Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Graphene and Nanomaterials Applications
Authors: Karol Bartosiewicz | Verena Fritz | David Van der Heggen | Damian Szymański | Justyna Zeler | Jan Pejchal | Akihiro Yamaji | Romana Kučerková | Alena Beitlerová | Shunsuke Kurosawa | Akira Yoshikawa | Philippe F. Smet | Eugeniusz Zych | M. Nikl
Source: Journal of Materials Chemistry C (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Towards deliberate design of persistent phosphors: a study of La–Ga admixing in LuAG:Ce crystals to engineer elemental homogeneity and carrier trap depths Persistent luminescence in Lu 3 Al 2 Ga 2 O 12 :Ce,La crystal was studied. La codoping elongated luminescence and increased trapping centers. The influence of La on crystal growth, structure, and Al/Ga sublattices was analyzed. Materials science ; Phosphor ; Luminescence ; Homogeneity (statistics) ; Trapping ; Trap (plumbing) ; Crystal (programming language) ; Crystal structure ; Optoelectronics ; Crystallography Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Solid-state spectroscopy and crystallography
Authors: Jinxin Tie | Mengyuan Gao | Yulin Huang | Kecheng Li | Hui Wang
Source: Frontiers in Materials (review, 2023-12-21)
Field: Materials Science — Surfaces, Coatings and Films

Factors influencing wettability and surface/interface mechanics of plant surfaces: a review A wide variety of abundant plant leaves exist in nature, and the wettability of their surfaces is formed to adapt to diverse external environments. In this paper we will focus on the factors influencing the wettability of various plant leaves prevalent in nature. And we hope to investigate the interfacial problems of plants from a mechanical point of view. It is found that there are many factors affecting the surface wettability of leaves, such as chemical composition, surface microstructures, hierarchical structures, and growth age. Different influencing factors have different contributions to the change of surface wettability. The surface wax composition influences the surface wettability from a chemical point of view while the hierarchical structure consisting of nanostructures and micron structures also influences the wettability from a structural point of view. Also as the growth age of the plant increases, there is a combined effect on the chemical composition and microstructure of the leaves. Then we discuss the surface/interface mechanics of droplets on various plant leaves and analyze the wetting properties of droplets on different substrates. Finally, we hope that the surface/interface mechanics of plant leaves may be systematically utilized in the future for the preparation of multifunctional biomimetic materials, realizing the crossover of chemistry, biology, mechanics, and other materials science fields. Wetting ; Materials science ; Nanotechnology ; Microstructure ; Chemical composition ; Wax ; Surface (topology) ; Chemical engineering ; Chemical physics ; Composite material ; Chemistry ; Organic chemistry ; Geometry ; Engineering ; Mathematics Surface Modification and Superhydrophobicity ; Plant Surface Properties and Treatments ; Fluid Dynamics and Heat Transfer
Authors: Maider Ugalde-Arbizu | John Jairo Aguilera-Correa | Victoria García‐Almodóvar | Karina Ovejero Paredes | Diana Díaz‐García | Jaime Esteban | Paulina L. Páez | Sanjiv Prashar | Eider San Sebastián | Marco Filice | Santiago Gómez‐Ruiz
Source: Pharmaceutics (article, 2023-02-07)
Field: Chemistry — Organic Chemistry

Dual Anticancer and Antibacterial Properties of Silica-Based Theranostic Nanomaterials Functionalized with Coumarin343, Folic Acid and a Cytotoxic Organotin(IV) Metallodrug Five different silica nanoparticles functionalized with vitamin B12, a derivative of coumarin found in green plants and a minimum content of an organotin(IV) fragment (<b>1-MSN-Sn</b>, <b>2-MSN-Sn</b>, <b>2-SBA-Sn</b>, <b>2-FSPm-Sn</b> and <b>2-FSPs-Sn</b>), were identified as excellent anticancer agents against triple negative breast cancer, one of the most diagnosed and aggressive cancerous tumors, with very poor prognosis. Notably, compound <b>2-MSN-Sn</b> shows selectivity for cancer cells and excellent luminescent properties detectable by imaging techniques once internalized. The same compound is also able to interact with and nearly eradicate biofilms of <i>Staphylococcus aureus</i>, the most common bacteria isolated from chronic wounds and burns, whose treatment is a clinical challenge. <b>2-MSN-Sn</b> is efficiently internalized by bacteria in a biofilm state and destroys the latter through reactive oxygen species (ROS) generation. Its internalization by bacteria was also efficiently monitored by fluorescence imaging. Since silica nanoparticles are particularly suitable for oral or topical administration, and considering both its anticancer and antibacterial activity, <b>2-MSN-Sn</b> represents a new dual-condition theranostic agent, based primarily on natural products or their derivatives and with only a minimum amount of a novel metallodrug. Chemistry ; Biofilm ; Internalization ; Sortase A ; Combinatorial chemistry ; Bacteria ; Fluorescence ; Nanoparticle ; Antibacterial activity ; Nanotechnology ; Biochemistry ; Materials science ; Bacterial protein Organometallic Compounds Synthesis and Characterization ; Marine Biology and Environmental Chemistry ; Corrosion Behavior and Inhibition
Authors: Naitik Patel | Anis H. Fakeeha | Salwa B. Alreshaidan | Mohammed F. Alotibi | Ahmed I. Osman | Ala’a H. Al‐Muhtaseb | Mohammed A. Mahyoub | Rawesh Kumar | Ahmed E. Abasaeed | Ahmed S. Al‐Fatesh
Source: Catalysis Letters (article, 2023-10-26)
Field: Materials Science — Materials Chemistry

Dry Reforming of Methane over Dual Metal Oxide Al2O3 + MOx (M = Ti, Zr, Si, Y) Supported Ni Catalyst: A Simple and Practical Approach Abstract The complex catalyst synthesis procedure is always a hurdle in the industrialization of catalysts. Industry eagerly needs catalysts for the dry reforming of methane, which can be prepared through straightforward, cheap processes by semi-skilled workers. Herein, dual metal oxide support 10 wt% MO x (M = Ti, Si, Zr, Y) &amp; 90 wt% Al 2 O 3 is prepared by just mixing mechanically and thereafter, catalytic active 5 wt% Ni is dispersed over the support by impregnation method. Metal oxide pairs in ZrO 2 + Al 2 O 3 , TiO 2 -Al 2 O 3 , SiO 2 + Al 2 O 3, and Y 2 O 3 + Al 2 O 3 supports are non-interacting, partially-interacting, significantly interacting (through Si–O–Al) and highly interacting (with maximum covalence character) respectively. Ni dispersed over SiO 2 + Al 2 O 3 or Y 2 O 3 + Al 2 O 3 supports are strongly interacted, whereas Ni/Y 2 O 3 + Al 2 O 3 catalyst has oxide enrichment over the surface for potential oxidation of carbon deposit. The interacting nature of metal oxide pair in support, stability of active sites and extent of oxide enrichment over the surface confirms the following order of coke deposition, Ni/Y 2 O 3 + Al 2 O 3 (8%) &lt; Ni/SiO 2 + Al 2 O 3 (17%) &lt; Ni/TiO 2 -Al 2 O 3 (38.2%) &lt; Ni/ZrO 2 + Al 2 O 3 (52.3%), as well as reverse order of catalytic activity, Ni/Y 2 O 3 + Al 2 O 3 (60%) &gt; Ni/SiO 2 + Al 2 O 3 (55%) &gt; Ni/TiO 2 -Al 2 O 3 (50%) &gt; Ni/ZrO 2 + Al 2 O 3 (47%). Graphical Abstract Catalysis ; Oxide ; Metal ; Chemistry ; Methane ; Carbon dioxide reforming ; Heterogeneous catalysis ; Chemical engineering ; Inorganic chemistry ; Syngas ; Organic chemistry Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Suhang He | Bing Huang | Bohuai Xiao | Shuai Chang | Marina Podalko | Werner M. Nau
Source: Angewandte Chemie International Edition (article, 2023-10-09)
Field: Chemistry — Organic Chemistry

Stabilization of Guest Molecules inside Cation‐Lidded Cucurbiturils Reveals that Hydration of Receptor Sites Can Impede Binding Docking of alkali metal ions to water-soluble macrocyclic receptors generally reduces the affinity of guest molecules due to competitive binding. The idea that solvation water molecules could display a larger steric hindrance towards guest binding than cations has not been considered to date. We show that the docking of large cations to cucurbit[5]uril (CB5) unexpectedly increases (by a factor of 5-8) the binding of hydrophobic guests, methane and ethane. This is due to the removal of water molecules from the carbonyl portals of CB5 during cation binding, which frees up space for hydrophobe encapsulation. In contrast, smaller cations like sodium protrude deeply into the cavity of CB5 and cause the expected decrease in binding, such that the rational selection of alkali cations allows for a variation of up to a factor of 20 in binding of methane and ethane. The statistical analysis of crystallographic data shows that the cavity volume of CB5 can be enlarged by placing large alkali ions (Rb<sup>+</sup> and Cs<sup>+</sup> ) centro-symmetrically at the portals. The results reveal a hitherto elusive steric hindrance of solvation water molecules near receptor binding sites, which is pertinent for the design of supramolecular catalysts and the understanding of biological receptors. Cucurbituril ; Steric effects ; Chemistry ; Solvation ; Supramolecular chemistry ; Molecule ; Alkali metal ; Docking (animal) ; Solvation shell ; Crystallography ; Inorganic chemistry ; Stereochemistry ; Organic chemistry Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions ; Mass Spectrometry Techniques and Applications
Authors: Mehmet Kodal | Nazlı Yazıcı Çakır | Rumeysa Yıldırım | Nursel Karakaya | Güralp Özkoç
Source: Polymers (article, 2023-11-23)
Field: Materials Science — Polymers and Plastics

Improved Heat Dissipation of NR/SBR-Based Tire Tread Compounds via Hybrid Fillers of Multi-Walled Carbon Nanotube and Carbon Black The development of thermally conductive rubber nanocomposites for heat management poses a formidable challenge in numerous applications, notably within the realm of tire technology. Notably, rubber materials are characterized by their inherently low thermal conductivity. Consequently, it becomes imperative to incorporate diverse conductive fillers to mitigate the propensity for heat build-up. Multi-walled carbon nanotubes (MWCNTs), as reinforcement agents within the tire tread compounds, have gained considerable attention owing to their extraordinary attributes. The attainment of high-performance rubber nanocomposites hinges significantly on the uniform distribution of MWCNT. This study presents the influence of MWCNTs on the performance of carbon black (CB)-reinforced natural rubber (NR)/styrene butadiene rubber (SBR) tire compounds prepared via high shear melt mixing. Morphological analysis showed a good distribution of MWCNTs in the NR/SBR/CB compound. The vulcanization parameters, such as the maximum and minimum torque, cross-linking density, hardness, abrasion resistance, tensile strength, and Young modulus, exhibited a progressive improvement with the addition of MWCNT. Remarkably, adding MWCNT into CB improved the heat conductivity of the NR/SBR/CB compounds, hence decreasing the heat build-up. A percolation mode was also proposed for the hybrid carbon fillers based on the data obtained. Materials science ; Natural rubber ; Composite material ; Carbon black ; Carbon nanotube ; Vulcanization ; Tread ; Styrene-butadiene ; Thermal conductivity ; Nanocomposite ; Ultimate tensile strength ; Polymer Polymer Nanocomposites and Properties ; Carbon Nanotubes in Composites ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Ana Dácil Marrero | Juan Ortega‐Vidal | Sofı́a Salido | Laura Castilla | Isabel Vidal | Ana R. Quesada | Joaquı́n Altarejos | Beatriz Martı́nez-Poveda | Miguel Ángel Medina
Source: Biomedicine & Pharmacotherapy (article, 2023-07-31)
Field: Chemistry — Organic Chemistry

Anti-angiogenic effects of oleacein and oleocanthal: New bioactivities of compounds from Extra Virgin Olive Oil Phenolic compounds play a key role in the health benefits of Extra Virgin Olive Oil (EVOO). Among these molecules, the focus has been recently put on (-)-oleocanthal and (-)-oleacein, for which anti-cancer and angiogenesis-related findings have been reported. Here, we explored the modulatory action of (-)-oleocanthal and (-)-oleacein on angiogenesis, the process by which new vessels are created from pre-existent ones, which is directly linked to tumor progression and other pathological conditions. Two in vivo models strongly sustained by angiogenesis, and an in vitro model of endothelial cells to study different steps of angiogenesis, were used. In vivo evidence pointed to the anti-angiogenic effects of both compounds in vivo. In vitro, (-)-oleacein and (-)-oleocanthal inhibited the proliferation, invasion, and tube formation of endothelial cells, and (-)-oleacein significantly repressed migration and induced apoptosis in these cells. Mechanistically, the compounds modulated signaling pathways related to survival and proliferation, all at concentrations of physiological relevance for humans. We propose (-)-oleacein and (-)-oleocanthal as good candidates for angioprevention and for further studies as modulators of angiogenesis in clinical interventions, and as interesting functional claims for the food industry. Chemical compounds studied in this article: Oleocanthal (PubChem CID: 11652416); Oleacein (PubChem CID: 18684078). Angiogenesis ; In vivo ; Pharmacology ; Chemistry ; In vitro ; Apoptosis ; Biology ; Biochemistry ; Cell biology ; Cancer research ; Biotechnology Edible Oils Quality and Analysis ; Tannin, Tannase and Anticancer Activities ; Cholesterol and Lipid Metabolism
Authors: Pavol Jusko | Miguel Jiménez-Redondo | P. Caselli
Source: Molecular Physics (article, 2023-05-30)
Field: Chemistry — Spectroscopy

Cold CAS ion trap – 22 pole trap with ring electrodes for astrochemistry The enhancement of a cryogenic radio frequency 22 pole trap instrument by the addition of ring electrodes is presented in detail. The ring electrodes tightly surround the poles and only a fraction of the applied electric potential penetrates to the trap axis, facilitating the fine control of slow cold ions. A precise computational model, describing the effective mechanical potential created by the applied static and rf fields, governing the ion behaviour, is employed to demonstrate and understand the operation of our setup. The use of ring electrodes for improved extraction of cold stored ions is shown. Variable trapping potentials, placed on one ring electrode, can be used to control the evaporation of only those H+ ions from the trap, whose kinetic energy exceeds the barrier. This ring electrode trapping opens new possibilities to study processes of minimal kinetic energy release, e. g. spin exchange. We propose a robust modified method for the determination of temperature dependent ion molecule reaction rates, resistant to effects caused by neutral gas freezing and demonstrate it on the reaction of CO+/CO2+ with H2/D2. Finally, the use of a supercontinuum laser for quick localisation of spectroscopic bands is examined on the N2+ Meinel system. Ion trap ; Trap (plumbing) ; JavaScript ; Physics ; Zoom ; Ion ; Ring (chemistry) ; Storage ring ; Atomic physics ; Chemistry ; Computer science ; Optics ; World Wide Web Mass Spectrometry Techniques and Applications ; Atomic and Molecular Physics ; Laser-induced spectroscopy and plasma
Authors: Wiktor Bednarczyk | Jakub Kawałko | Maria Wątroba | Michał Szuwarzyński | Piotr Bała
Source: Archives of Civil and Mechanical Engineering (article, 2023-10-23)
Field: Materials Science — Materials Chemistry

Investigation of slip systems activity and grain boundary sliding in fine-grained superplastic zinc alloy Abstract Zn alloys are desirable candidates for biodegradable materials due to their great biocompatibility and sufficient mechanical properties. Nevertheless, the most popular strengthening method by grain refinement after cold processing is usually ineffective in Zn alloys. Besides highly anisotropic deformation through a dislocation slip, grain boundary sliding (GBS) plays an important role in total deformation in fine-grained Zn alloys at room temperature (RT). Herein, Zn–0.5Cu (wt. %) alloy is fabricated by RT equal channel angular pressing, and its deformation mechanisms in tension were systematically analyzed at strain rates from 10 –4 s −1 to 10 0 s −1 . GBS contribution in total deformation was measured using surface markers and atomic force microscopy. In addition, dislocation slip activity was evaluated via electron-backscattered diffraction-based slip trace analysis. As a result, investigated alloy presents the GBS contribution in a total deformation at RT from 35% at the strain rate 10 0 s −1 to 70% at 10 –4 s −1 . Simultaneously, the number of slip-deformed grains decreased from 97.5% to 8%. Moreover, the basal slip system was dominant at all strain rates, while the prismatic and the pyramidal &lt; c + a &gt; slip systems were activated at the higher strain rates. The results presented here for the first time clearly show the complexity of deformation mechanisms in fine-grained Zn–0.5Cu, at significantly different strain rate conditions. Materials science ; Slip (aerodynamics) ; Superplasticity ; Grain Boundary Sliding ; Deformation mechanism ; Metallurgy ; Alloy ; Grain boundary ; Strain rate ; Dislocation ; Deformation (meteorology) ; Composite material ; Microstructure ; Thermodynamics Microstructure and mechanical properties ; Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties
Authors: Viktors Vibornijs | Ma̅rtiņš Zubkins | Edvards Strods | Zhanna Rudevica | Ksenija Korotkaja | Andrejs Ogurcovs | K. Kundziņš | J. Purāns | Anna Zajakina
Source: Coatings (article, 2023-12-22)
Field: Materials Science — Materials Chemistry

Analysis of Antibacterial and Antiviral Properties of ZnO and Cu Coatings Deposited by Magnetron Sputtering: Evaluation of Cell Viability and ROS Production The development and testing of antimicrobial coatings continues to be a crucial approach, considering the ongoing emergence of antibiotic-resistant bacteria and the rapid transmission of highly pathogenic viruses. In this study, three types of coatings—pure metallic copper (Cu), zinc oxide (ZnO), and a three-layer zinc oxide and copper mixed coating (ZnO/Cu/ZnO)—were deposited by magnetron sputtering on polyethylene terephthalate substrates to evaluate their antimicrobial potential using various microorganisms, including viruses. Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli bacteria were used for the assessment of antibacterial properties. Antiviral testing was performed using MS2 bacteriophage and replication-deficient Semliki Forest virus, both representing single-stranded RNA-containing viruses. The samples’ ability to cause reactive oxygen species formation was measured, and the effect on bacterial metabolic activity was evaluated. Cu-coated samples showed high inhibitory activity (&gt;95%) against E. coli and S. aureus bacteria, as well as against tested viruses (SFV and MS2). The antibacterial and antiviral properties of ZnO/Cu/ZnO and ZnO coatings were not significant. Although ZnO/Cu/ZnO and ZnO caused inhibition of the metabolic activity of the bacteria, it was insufficient for complete bacteria eradication. Furthermore, significant reactive oxygen species (ROS) production was detected only for single Cu-coated samples, correlating with the strong bacteria-killing ability. We suppose that the ZnO layer exhibited a low release of Zn ions and prevented contact of the Cu layer with bacteria and viruses in the ZnO/Cu/ZnO coating. We conclude that current ZnO and Cu-ZnO-layered coatings do not possess antibacterial and antiviral activity. Bacteria ; Zinc ; Escherichia coli ; Coating ; Materials science ; Antimicrobial ; Copper ; Microorganism ; Pathogenic bacteria ; Sputter deposition ; Microbiology ; Antibacterial activity ; Sputtering ; Chemistry ; Biology ; Nanotechnology ; Metallurgy ; Biochemistry ; Thin film Nanoparticles: synthesis and applications ; Infection Control in Healthcare ; Antimicrobial agents and applications
Authors: Rocky Putra | Caroline Müller
Source: New Phytologist (article, 2023-06-12)
Field: Chemistry — Analytical Chemistry

Extending the elemental defence hypothesis in the light of plant chemodiversity Some plant species tolerate and accumulate high levels of metals or metalloids in their tissues. The elemental defence hypothesis posits that metal(loid) hyperaccumulation by these plants can serve as protection against antagonists. Numerous studies support this hypothesis. In addition, as other plant species, hyperaccumulators synthesise specialised metabolites that can act as organic defences. In principle, the composition and concentration of plant-specialised metabolites vary pronouncedly not only among species, but also within species and within individuals. This variation is called chemodiversity. Surprisingly, the role of chemodiversity has received little attention in elemental defence. Thus, we advocate that the concept of the elemental defence hypothesis should be extended and linked to the multifunctionality of plant chemodiversity to better understand the eco-evolutionary dynamics and maintenance of metal(loid) hyperaccumulation. Comprehensive literature studies revealed that both metal(loid)s and specialised metabolites acting as defences are highly diverse in some hyperaccumulators and the biosynthetic pathways of these two types of defences are partly intertwined. Several edaphic-, population-, temporal- and spatial-related factors were found to influence metal(loid) diversity, which should be considered in the elemental defence hypothesis. We thus present a novel synthesis and outlook to extend the elemental defence hypothesis in the light of chemodiversity. Biology ; Botany ; Astrobiology ; Chemistry Heavy Metals in Plants ; Heavy metals in environment ; Allelopathy and phytotoxic interactions