jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ian W. Hamley | Valeria Castelletto
Source: Advances in Colloid and Interface Science (review, 2023-07-07)
Field: Materials Science — Biomaterials

Small-angle scattering techniques for peptide and peptide hybrid nanostructures and peptide-based biomaterials The use of small-angle scattering (SAS) in the study of the self-assembly of peptides and peptide conjugates (lipopeptides, polymer-peptide conjugates and others) is reviewed, highlighting selected research that illustrates different methods and analysis techniques. Both small-angle x-ray scattering (SAXS) and small-angle neutron scattering (SANS) are considered along with examples that exploit their unique capabilities. For SAXS, this includes the ability to perform rapid measurements enabling high throughput or fast kinetic studies and measurements under dilute conditions. For SANS, contrast variation using H<sub>2</sub>O/D<sub>2</sub>O mixtures enables the study of peptides interacting with lipids and TR-SANS (time-resolved SANS) studies of exchange kinetics and/or peptide-induced structural changes. Examples are provided of studies measuring form factors of different self-assembled structures (micelles, fibrils, nanotapes, nanotubes etc) as well as structure factors from ordered phases (lyotropic mesophases), peptide gels and hybrid materials such as membranes formed by mixing peptides with polysaccharides or peptide/liposome mixtures. SAXS/WAXS (WAXS: wide-angle x-ray scattering) on peptides and peptide hybrids is also discussed, and the review concludes with a perspective on potential future directions for research in the field. Small-angle X-ray scattering ; Peptide ; Scattering ; Micelle ; Small-angle neutron scattering ; Lyotropic ; Materials science ; Neutron scattering ; Small-angle scattering ; Nanostructure ; Crystallography ; Chemical physics ; Chemistry ; Polymer ; Nanotechnology ; Organic chemistry ; Optics ; Biochemistry ; Physics ; Aqueous solution Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Enzyme Structure and Function
Authors: Linh Doan | Khoa Tran
Source: Pharmaceutics (article, 2023-10-13)
Field: Materials Science — Biomaterials

Relationship between the Polymer Blend Using Chitosan, Polyethylene Glycol, Polyvinyl Alcohol, Polyvinylpyrrolidone, and Antimicrobial Activities against Staphylococcus aureus The findings from Pareto charts, main effect plots, and interaction plots demonstrate the importance of polymer concentration. Increasing concentration improves the inhibition percentage and decreases the MIC50. However, the primary factor that influences these changes is chitosan (CS). Additionally, the interaction between CS and PVP, along with other polymers, plays a crucial role in achieving better antimicrobial effects. These results enhance our understanding of the antimicrobial properties of the studied polymers and offer valuable insights for developing effective antimicrobial formulations. The MIC50 value of M1–M16 was at a polymer percentage of 12.5%. At 12.5% polymer percentage, with the limits of [PVA], [PEG], and [PVP] being 0.002–0.004 g/mL and [CS] being 0.001–0.002 g/mL, using the 2-level full factorial method, the inhibition percentage is equal to 174.1 − 27,812 PVA − 18,561 PVP − 25,960 PEG − 38,752 CS + 9,263,047 PVA*PVP + 10,430,763 PVA*PEG + 15,397,157 PVA*CS + 7,088,313 PVP*PEG + 7,841,221 PVP*CS + 14,228,046 PEG*CS − 3,367,292,860 PVA*PVP*PEG − 5,671,998,721 PVA*PVP*CS − 6,619,041,275 PVA*PEG*CS − 3,917,095,529 PVP*PEG*CS + 2,273,661,969,470 PVA*PVP*PEG*CS. Theoretically, the most economical concentrations of PVA, PVP, PEG, and CS are 0.002, 0.002, 0.002, and 0.001 mg/mL at a concentration of 12.5% to reach an inhibition percentage of 99.162%, which coincides with the MBC value. PEG ratio ; Polyvinylpyrrolidone ; Polyvinyl alcohol ; Chitosan ; Polyethylene glycol ; Polymer ; Chemistry ; Antimicrobial ; PEG 400 ; Nuclear chemistry ; Factorial experiment ; Polymer chemistry ; Organic chemistry ; Mathematics Nanocomposite Films for Food Packaging ; Antimicrobial agents and applications ; Essential Oils and Antimicrobial Activity
Authors: Dalma Schieppati | Mood Mohan | Bruno Blais | Kobra Fattahi | Gregory S. Patience | Blake A. Simmons | Seema Singh | Daria C. Boffito
Source: Ultrasonics Sonochemistry (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

Characterization of the acoustic cavitation in ionic liquids in a horn-type ultrasound reactor Most ultrasound-based processes root in empirical approaches. Because nearly all advances have been conducted in aqueous systems, there exists a paucity of information on sonoprocessing in other solvents, particularly ionic liquids (ILs). In this work, we modelled an ultrasonic horn-type sonoreactor and investigated the effects of ultrasound power, sonotrode immersion depth, and solvent's thermodynamic properties on acoustic cavitation in nine imidazolium-based and three pyrrolidinium-based ILs. The model accounts for bubbles, acoustic impedance mismatch at interfaces, and treats the ILs as incompressible, Newtonian, and saturated with argon. Following a statistical analysis of the simulation results, we determined that viscosity and ultrasound input power are the most significant variables affecting the intensity of the acoustic pressure field (P), the volume of cavitation zones (V), and the magnitude of the maximum acoustic streaming surface velocity (u). V and u increase with the increase of ultrasound input power and the decrease in viscosity, whereas the magnitude of negative P decreases as ultrasound power and viscosity increase. Probe immersion depth positively correlates with V, but its impact on P and u is insignificant. 1-alkyl-3-methylimidazolium-based ILs yielded the largest V and the fastest acoustic jets - 0.77 cm<sup>3</sup> and 24.4 m s<sup>-1</sup> for 1-ethyl-3-methylimidazolium chloride at 60 W. 1-methyl-3-(3-sulfopropyl)-imidazolium-based ILs generated the smallest V and lowest u - 0.17 cm<sup>3</sup> and 1.7 m s<sup>-1</sup> for 1-methyl-3-(3-sulfopropyl)-imidazolium p-toluene sulfonate at 20 W. Sonochemiluminescence experiments validated the model. Ionic liquid ; Cavitation ; Viscosity ; Sound power ; Sound pressure ; Materials science ; Ultrasound ; Ultrasonic sensor ; Toluene ; Sound intensity ; Sonochemistry ; Acoustic impedance ; Analytical Chemistry (journal) ; Chemistry ; Acoustics ; Organic chemistry ; Composite material ; Catalysis ; Physics Ultrasound and Cavitation Phenomena ; Innovative Microfluidic and Catalytic Techniques Innovation ; Ultrasound and Hyperthermia Applications
Authors: Akira Ueno | Hung‐I Lin | Fan Yang | Sensong An | Louis Martin‐Monier | Mikhail Y. Shalaginov | Tian Gu | Juejun Hu
Source: Nanophotonics (article, 2023-07-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dual‐band optical collimator based on deep‐learning designed, fabrication‐friendly metasurfaces Metasurfaces, which consist of arrays of ultrathin planar nanostructures (also known as "meta-atoms"), offer immense potential for use in high-performance optical devices through the precise manipulation of electromagnetic waves with subwavelength spatial resolution. However, designing meta-atom structures that simultaneously meet multiple functional requirements (e.g., for multiband or multiangle operation) is an arduous task that poses a significant design burden. Therefore, it is essential to establish a robust method for producing intricate meta-atom structures as functional devices. To address this issue, we developed a rapid construction method for a multifunctional and fabrication-friendly meta-atom library using deep neural networks coupled with a meta-atom selector that accounts for realistic fabrication constraints. To validate the proposed method, we successfully applied the approach to experimentally demonstrate a dual-band metasurface collimator based on complex free-form meta-atoms. Our results qualify the proposed method as an efficient and reliable solution for designing complex meta-atom structures in high-performance optical device implementations. Fabrication ; Collimator ; Dual (grammatical number) ; Nanomaterials ; Materials science ; Environmentally friendly ; Optoelectronics ; Nanotechnology ; Multi-band device ; Optical materials ; Computer science ; Optics ; Telecommunications ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Optical Wireless Communication Technologies
Authors: Lian Zhang | Fenggang Liu | Ruoxi Yang | Fuyang Huo | Weijun Zhang | Yu Zhang | Chuying Liu | Chunngai Hui | Jiahai Wang
Source: Advanced Science (article, 2023-09-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Highly Efficient and Stable Binary Cross‐Linkable/ Self‐Assembled Organic Nonlinear Optical Molecular Glasses The development of electro-optical materials with high chromophore loading levels that possess ultrahigh electro-optic coefficients and high long term alignment stability is a challenging topic. Anthracene-maleimide Diels-Alder (DA) reaction and π-π interaction of Anthracene-pentafluorobenzene and benzene-pentafluorobenzene are developed for making highly efficient binary cross-linkable/self-assembled dendritic chromophores FZL1-FZL4. A covalently or non-covalently cross-linked network is formed by DA reaction or π-π interaction after electric field poling orientation, which greatly improves the long-term alignment stability of the materials. An electro-optic coefficient up to 266 pm V<sup>-1</sup> and glass transition temperature as high as 178 °C are achieved in cross-linked film FZL1/FZL2, and 272-308 pm V<sup>-1</sup> is achieved for self-assembled films FZL1/FZL4 and FZL3/FZL4 due to high chromophore density (3.09-4.02 × 10<sup>20</sup> molecules cm<sup>-3</sup> ). Long-term alignment stability tests show that after heating at 85 °C for over 500 h, 99.73% of the initial r<sub>33</sub> value is maintained for poled crosslinked electro-optic films 1:1 FZL1/FZL2. The poled self-assembled electro-optic films 1:1 FZL1/FZL4 and 1:1 FZL3/FZL4 can still maintain more than 97.11% and 98.23%, respectively, of the original electro-optic coefficient after being placed at room temperature for 500 h. The excellent electro-optic coefficient and stability of the material indicate the practical application prospects of organic electro-optic materials. Chromophore ; Materials science ; Anthracene ; Covalent bond ; Maleimide ; Poling ; Self-assembly ; Thermal stability ; Optoelectronics ; Chemical engineering ; Nanotechnology ; Polymer chemistry ; Photochemistry ; Organic chemistry ; Chemistry Nonlinear Optical Materials Research ; Advanced Fiber Laser Technologies ; Photonic and Optical Devices
Authors: Nayely Pineda Romero | Matthew Witman | Kim Harvey | Vitalie Stavila | Vivian Nassif | Erik Elkaı̈m | Claudia Zlotea
Source: ACS Applied Energy Materials (article, 2023-12-13)
Field: Materials Science — Materials Chemistry

Large Destabilization of (TiVNb)-Based Hydrides via (Al, Mo) Addition: Insights from Experiments and Data-Driven Models High-entropy alloys (HEAs) represent an interesting alloying strategy that can yield exceptional performance properties needed across a variety of technology applications, including hydrogen storage. Examples include ultrahigh volumetric capacity materials (BCC alloys → FCC dihydrides) with improved thermodynamics relative to conventional high-capacity metal hydrides (like MgH2), but still further destabilization is needed to reduce operating temperature and increase system-level capacity. In this work, we demonstrate efficient hydride destabilization strategies by synthesizing two new Al0.05(TiVNb)0.95–xMox (x = 0.05, 0.10) compositions. We specifically evaluate the effect of molybdenum (Mo) addition on the phase structure, microstructure, hydrogen absorption, and desorption properties. Both alloys crystallize in a bcc structure with decreasing lattice parameters as the Mo content increases. The alloys can rapidly absorb hydrogen at 25 °C with capacities of 1.78 H/M (2.79 wt %) and 1.79 H/M (2.75 wt %) with increasing Mo content. Pressure-composition isotherms suggest a two-step reaction for hydrogen absorption to a final fcc dihydride phase. The experiments demonstrate that increasing Mo content results in a significant hydride destabilization, which is consistent with predictions from a gradient boosting tree data-driven model for metal hydride thermodynamics. Furthermore, improved desorption properties with increasing Mo content and reversibility were observed by in situ synchrotron X-ray diffraction, in situ neutron diffraction, and thermal desorption spectroscopy. Hydride ; Hydrogen storage ; Desorption ; Materials science ; Hydrogen ; Molybdenum ; Synchrotron ; Neutron diffraction ; Thermodynamics ; Analytical Chemistry (journal) ; Metal ; Alloy ; Chemistry ; Physical chemistry ; Crystallography ; Metallurgy ; Crystal structure ; Adsorption Hydrogen Storage and Materials ; High Entropy Alloys Studies ; Metal and Thin Film Mechanics
Authors: Rem Jalab | Ahmed Ben Ali | Mazen Khaled | Maha Abouseada | Safa AlKhalil | Amna Al-Suwaidi | Sali Hamze | Ibnelwaleed A. Hussein
Source: ACS Omega (article, 2023-05-02)
Field: Materials Science — Materials Chemistry

Novel Polyepoxysuccinic Acid-Grafted Polyacrylamide as a Green Corrosion Inhibitor for Carbon Steel in Acidic Solution Utilizing green corrosion inhibitors has been classified among the most efficient and economical mitigation practices against metallic degradation and failure. This study aims to integrate the features of green and complementary properties of polyepoxysuccinic acid (PESA) and polyacrylamide (PAM) for steel corrosion inhibition. A novel PESA-grafted-PAM (PESAPAM) has been first-ever synthesized in this research study and deployed as a corrosion inhibitor for C-steel in 1.0 M HCl solution. Eco-toxicity prediction confirmed the environmentally friendly properties acquired by the synthesized inhibitor. Electrochemical, kinetics, and surface microscopic studies were carried out to gain a holistic view of C-steel corrosion behavior with the PESAPAM. Furthermore, the performance of PESAPAM was compared with that of the pure PESA under the same testing conditions. Results revealed predominant inhibitive properties of PESAPAM with an inhibition efficiency (IE) reaching 90% at 500 mg·L<sup>-1</sup> at 25 °C. Grafting PAM onto the PESA chain showed an overall performance improvement of 109% from IE% of 43 to 90%. Electrochemical measurements revealed a charge transfer-controlled corrosion mechanism and the formation of a thick double layer on the steel surface. The potentiodynamic study classified PESAPAM as a mixed-type inhibitor. Furthermore, the investigation of C-steel corrosion kinetics with the presence of PESAPAM predicted an activation energy of 85 kJ·mol<sup>-1</sup>, correlated with a physical adsorption behavior. Finally, performed scanning electron microscopy and energy-dispersive X-ray analyses confirmed the adsorption of PESA and PESAPAM, with superior coverage of PESAPAM onto the steel surface. Corrosion ; Adsorption ; Electrochemistry ; Polyacrylamide ; Corrosion inhibitor ; Carbon steel ; Materials science ; Chemical engineering ; Scanning electron microscope ; Metal ; Kinetics ; Nuclear chemistry ; Chemistry ; Metallurgy ; Electrode ; Composite material ; Polymer chemistry ; Organic chemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Luqman Bin Safdar | Kateryna Dugina | Ali Saeidan | Guilherme V. Yoshicawa | Nicola Caporaso | Brighton Gapare | Muhammad Jawad Umer | Rahul Bhosale | Iain Searle | J. Foulkes | Scott A. Boden | Ian D. Fisk
Source: Food and Energy Security (review, 2023-09-01)
Field: Chemistry — Analytical Chemistry

Reviving grain quality in wheat through non‐destructive phenotyping techniques like hyperspectral imaging A long-term goal of breeders and researchers is to develop crop varieties that can resist environmental stressors and produce high yields. However, prioritising yield often compromises improvement of other key traits, including grain quality, which is tedious and time-consuming to measure because of the frequent involvement of destructive phenotyping methods. Recently, non-destructive methods such as hyperspectral imaging (HSI) have gained attention in the food industry for studying wheat grain quality. HSI can quantify variations in individual grains, helping to differentiate high-quality grains from those of low quality. In this review, we discuss the reduction of wheat genetic diversity underlying grain quality traits due to modern breeding, key traits for grain quality, traditional methods for studying grain quality and the application of HSI to study grain quality traits in wheat and its scope in breeding. Our critical review of literature on wheat domestication, grain quality traits and innovative technology introduces approaches that could help improve grain quality in wheat. Hyperspectral imaging ; Quality (philosophy) ; Environmental science ; Agricultural engineering ; Remote sensing ; Geology ; Engineering ; Physics Spectroscopy and Chemometric Analyses ; Wheat and Barley Genetics and Pathology ; Mycotoxins in Agriculture and Food
Authors: Ksenia Degtyareva | С. В. Николаев | V. A. Nelyub | В С Тынченко | А. С. Бородулин
Source: E3S Web of Conferences (article, 2023-01-01)
Field: Materials Science — General Materials Science

Automatic monitoring system designed to detect defects in PET preforms The goal of this work is to automate the defect detection system for PET preforms production. For this purpose, it is necessary to consider the machine vision method, which has hardware and software structures that include many technical components. The software in turn includes two parts: one is used in the computer for image processing and the other for controlling the mechanical components of the system. However, this is a very expensive and time-consuming process due to the collection of large amounts of information with labeled defect samples. As shown, this technology can improve the scope, efficiency, quality and reliability of industrial inspection, which in turn leads to a number of advances in modern industry. Also, the company is able to increase its productivity, reduce the cost of defect controllers’ salaries, increase profits, and avoid creating situations in which equipment will be idle. Computer science ; Reliability (semiconductor) ; Software ; Scope (computer science) ; Process (computing) ; Reliability engineering ; Productivity ; Idle ; Quality (philosophy) ; Production (economics) ; Real-time computing ; Engineering ; Operating system Material Properties and Applications ; Engineering Technology and Methodologies ; Industrial Vision Systems and Defect Detection
Authors: Federica Mancini | Arianna Menichetti | Lorenzo Degli Esposti | Monica Montesi | Silvia Panseri | Giada Bassi | Marco Montalti | L. Lazzarini | Alessio Adamiano | Michele Iafisco
Source: Journal of Functional Biomaterials (article, 2023-02-07)
Field: Materials Science — Materials Chemistry

Fluorescent Carbon Dots from Food Industry By-Products for Cell Imaging Herein, following a circular economy approach, we present the synthesis of luminescent carbon dots via the thermal treatment of chestnut and peanut shells, which are abundant carbon-rich food industry by-products. As-synthesized carbon dots have excellent water dispersibility thanks to their negative surface groups, good luminescence, and photo-stability. The excitation-emission behaviour as well as the surface functionalization of these carbon dots can be tuned by changing the carbon source (chestnuts or peanuts) and the dispersing medium (water or ammonium hydroxide solution). Preliminary in vitro biological data proved that the samples are not cytotoxic to fibroblasts and can act as luminescent probes for cellular imaging. In addition, these carbon dots have a pH-dependent luminescence and may, therefore, serve as cellular pH sensors. This work paves the way towards the development of more sustainable carbon dot production for biomedical applications. Luminescence ; Materials science ; Carbon fibers ; Ammonium hydroxide ; Surface modification ; Nanotechnology ; Fluorescence ; Quantum dot ; Chemical engineering ; Optoelectronics ; Composite material Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; Luminescence and Fluorescent Materials
Authors: Abolfazl Dashti | Judith Müller-Maatsch | Emma Roetgerink | Michiel Wijtten | Yannick Weesepoel | Hadi Parastar | Hassan Yazdanpanah
Source: Food Chemistry X (article, 2023-04-03)
Field: Chemistry — Analytical Chemistry

Comparison of a portable Vis-NIR hyperspectral imaging and a snapscan SWIR hyperspectral imaging for evaluation of meat authenticity The performance of visible-near infrared hyperspectral imaging (Vis-NIR-HSI) (400-1000 nm) and shortwave infrared hyperspectral imaging (SWIR-HSI) (1116-1670 nm) combined with different classification and regression (linear and non-linear) multivariate methods were assessed for meat authentication. In Vis-NIR-HSI, total accuracies in the prediction set for SVM and ANN-BPN (the best classification models) were 96 and 94 % surpassing the performance of SWIR-HSI with 88 and 89 % accuracy, respectively. In Vis-NIR-HSI, the best-obtained coefficient of determinations for the prediction set (R<sup>2</sup><sub>p</sub>) were 0.99, 0.88, and 0.99 with root mean square error in prediction (RMSEP) of 9, 24 and 4 (%w/w) for pork in beef, pork in lamb and pork in chicken, respectively. In SWIR-HSI, the best-obtained R<sup>2</sup><sub>p</sub> were 0.86, 0.77, and 0.89 with RMSEP of 16, 23 and 15 (%w/w) for pork in beef, pork in lamb and pork in chicken, respectively. The results ascertain that Vis-NIR-HSI coupled with multivariate data analysis has better performance rather than SWIR-HIS. Hyperspectral imaging ; Near-infrared spectroscopy ; Remote sensing ; Mean squared error ; Partial least squares regression ; Coefficient of determination ; Data set ; Environmental science ; Mathematics ; Artificial intelligence ; Computer science ; Statistics ; Geology ; Optics ; Physics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Identification and Quantification in Food
Authors: M. Shiga | Akihiko Hirata | Yohei Onodera | Hirokazu Masai
Source: Communications Materials (article, 2023-11-03)
Field: Materials Science — Ceramics and Composites

Ring-originated anisotropy of local structural ordering in amorphous and crystalline silicon dioxide Abstract Rings comprising chemically bonded atoms are essential topological motifs for the structural ordering of network-forming materials. Quantification of such larger motifs beyond short-range pair correlation is essential for understanding the linkages between the orderings and macroscopic behaviors. Here, we propose two quantitative analysis methods based on rings. The first method quantifies rings by two geometric indicators: roundness and roughness. These indicators reveal the linkages between highly symmetric rings and crystal symmetry in silica and that the structure of amorphous silica mainly consists of distorted rings. The second method quantifies a spatial correlation function that describes three-dimensional atomic densities around rings. A comparative analysis among the functions for different degrees of ring symmetries reveals that symmetric rings contribute to the local structural order in amorphous silica. Another analysis of amorphous models with different orderings reveals anisotropy of the local structural ordering around rings; this contributes to building the intermediate-range ordering. Amorphous solid ; Anisotropy ; Materials science ; Amorphous silica ; Homogeneous space ; Ring (chemistry) ; Crystallography ; Crystal structure ; Topology (electrical circuits) ; Geometry ; Physics ; Optics ; Chemistry ; Mathematics ; Combinatorics Glass properties and applications ; Material Dynamics and Properties ; Catalysis and Oxidation Reactions