jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alireza Tabrizikahou | Mieczysław Kuczma | Piotr Nowotarski | Małgorzata Kwiatek | Ahad Javanmardi
Source: Materials (review, 2021-08-25)
Field: Materials Science — Materials Chemistry

Sustainability of Civil Structures through the Application of Smart Materials: A Review Every year, structural flaws or breakdowns cause thousands of people to be harmed and cost billions of dollars owing to the limitations of design methods and materials to withstand extreme earthquakes. Since earthquakes have a significant effect on sustainability factors, there is a contradiction between these constraints and the growing need for more sustainable structures. There has been a significant attempt to circumvent these constraints by developing various techniques and materials. One of these viable possibilities is the application of smart structures and materials such as shape memory and piezoelectric materials. Many scholars have examined the use of these materials and their structural characteristics up to this point, but the relationship between sustainability considerations and the deployment of smart materials has received little attention. Therefore, through a review of previous experimental, numerical, and conceptual studies, this paper attempts to draw a more significant relationship between smart materials and structural sustainability. First, the significant impact of seismic events on structural sustainability and its major aspects are described. It is then followed by an overview of the fundamentals of smart material's behaviour and properties. Finally, after a comprehensive review of the most recent applications of smart materials in structures, the influence of their deployment on sustainability issues is discussed. The findings of this study are intended to assist researchers in properly addressing sustainability considerations in any research and implementation of smart materials by establishing a more explicit relationship between these two concepts. Sustainability ; Construction engineering ; Engineering ; Smart material ; Architectural engineering ; Civil engineering ; Materials science ; Nanotechnology Shape Memory Alloy Transformations ; Architecture and Cultural Influences ; Masonry and Concrete Structural Analysis
Authors: Yan Hu | Lijia Xu | Peng Huang | Xiong Luo | Peng Wang | Zhiliang Kang
Source: Agriculture (article, 2021-11-06)
Field: Chemistry — Analytical Chemistry

Reliable Identification of Oolong Tea Species: Nondestructive Testing Classification Based on Fluorescence Hyperspectral Technology and Machine Learning A rapid and nondestructive tea classification method is of great significance in today’s research. This study uses fluorescence hyperspectral technology and machine learning to distinguish Oolong tea by analyzing the spectral features of tea in the wavelength ranging from 475 to 1100 nm. The spectral data are preprocessed by multivariate scattering correction (MSC) and standard normal variable (SNV), which can effectively reduce the impact of baseline drift and tilt. Then principal component analysis (PCA) and t-distribution random neighborhood embedding (t-SNE) are adopted for feature dimensionality reduction and visual display. Random Forest-Recursive Feature Elimination (RF-RFE) is used for feature selection. Decision Tree (DT), Random Forest Classification (RFC), K-Nearest Neighbor (KNN) and Support Vector Machine (SVM) are used to establish the classification model. The results show that MSC-RF-RFE-SVM is the best model for the classification of Oolong tea in which the accuracy of the training set and test set is 100% and 98.73%, respectively. It can be concluded that fluorescence hyperspectral technology and machine learning are feasible to classify Oolong tea. Hyperspectral imaging ; Random forest ; Artificial intelligence ; Support vector machine ; Feature selection ; Pattern recognition (psychology) ; Principal component analysis ; Feature (linguistics) ; Computer science ; Dimensionality reduction ; k-nearest neighbors algorithm ; Feature vector ; Spectral signature ; Mathematics ; Remote sensing ; Geography Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Tea Polyphenols and Effects
Authors: Susana I.L. Gomes | Janeck J. Scott‐Fordsmand | Mónica J.B. Amorim
Source: Nano Today (article, 2021-07-14)
Field: Materials Science — Materials Chemistry

Alternative test methods for (nano)materials hazards assessment: Challenges and recommendations for regulatory preparedness The outstanding work performed by standardization organizations for guidelines to assess hazards, e.g., OECD (Organisation for Economic Co-operation and Development), is clearly visible by the currently available number and broad coverage, from aquatic to terrestrial organisms dealing with environmental relevant issues. Nevertheless, novel materials challenge the adequateness and fit-for-purpose of such standards, as the standards were developed to assess hazards of “conventional” chemical substances and not advanced materials (e.g. materials that may deliberately change behaviour). While standardization is a well-known process that requires extended time before reaching implementation stage, there is strong support from regulatory bodies for the development of New Approach Methodologies (NAMs) (e.g., updating of current guidelines, development of novel omics-, in vitro-, and in silico- tests including modelling and read-across) that meet regulatory preparedness (i.e. have considered issues important for regulatory testing). There are currently several NAMs available, complying with high quality standards and relevancy, which should be adopted. In the current review, we collected the available literature on NAMs to assess hazards of Nanomaterials (NMs), focusing on the terrestrial environment, and critically discuss the advantages, challenges and gaps. Tests were grouped into 1) Standard tests (OECD/ISO), 2) Standard tests (OECD/ISO) extensions: time course or prolonged exposures and/or multigenerational, and 3) Alternative tests, beyond current OECD/ISO: omics, biomarkers, in vitro, in silico and modelling. The goal is to provide guidance on the best practices and test designs focusing on the specificities of testing NMs, outlining recommendations and way forward. Preparedness ; Test (biology) ; Nano- ; Engineering ; Risk analysis (engineering) ; Business ; Biology ; Chemical engineering ; Economics ; Ecology ; Management Nanoparticles: synthesis and applications ; Nanotechnology research and applications
Authors: Theodora Christoforidou | Dimitra Giasafaki | Eleftherios G. Andriotis | Nikolaos Bouropoulos | Nikoleta F. Theodoroula | Ioannis S. Vizirianakis | Theodore Steriotis | Georgia Charalambopoulou | Dimitrios G. Fatouros
Source: International Journal of Molecular Sciences (article, 2021-02-14)
Field: Materials Science — Materials Chemistry

Oral Drug Delivery Systems Based on Ordered Mesoporous Silica Nanoparticles for Modulating the Release of Aprepitant Two different types of ordered mesoporous nanoparticles, namely MCM-41 and MCM-48, with similar pore sizes but different pore connectivity, were loaded with aprepitant via a passive diffusion method. The percentage of the loaded active agent, along with the encapsulation efficiency, was evaluated using High-performance Liquid Chromatography (HPLC) analysis complemented by Thermogravimetric Analysis (TGA). The determination of the pore properties of the mesoporous particles before and after the drug loading revealed the presence of confined aprepitant in the pore structure of the particles, while Powder X-ray Diffractometry(pXRD), Differential Scanning Calorimetry (DSC), and FTIR experiments indicated that the drug is in an amorphous state. The release profiles of the drug from the two different mesoporous materials were studied in various release media and revealed an aprepitant release up to 45% when sink conditions are applied. The cytocompatibility of the silica nanoparticles was assessed in Caco-2 cell monolayers, in the presence and absence of the active agent, suggesting that they can be used as carriers of aprepitant without presenting any toxicity in vitro. Aprepitant ; Thermogravimetric analysis ; Mesoporous material ; Differential scanning calorimetry ; Mesoporous silica ; Nanoparticle ; Materials science ; Chemical engineering ; Drug delivery ; MCM-41 ; Drug carrier ; Fourier transform infrared spectroscopy ; Chromatography ; Chemistry ; Nuclear chemistry ; Nanotechnology ; Organic chemistry ; Medicine ; Anesthesia Mesoporous Materials and Catalysis ; Nanoparticle-Based Drug Delivery ; Drug Solubulity and Delivery Systems
Authors: Claire McVey | Una Gordon | Simon A. Haughey | Christopher T. Elliott
Source: Foods (article, 2021-04-27)
Field: Chemistry — Analytical Chemistry

Assessment of the Analytical Performance of Three Near-Infrared Spectroscopy Instruments (Benchtop, Handheld and Portable) through the Investigation of Coriander Seed Authenticity The performance of three near-infrared spectroscopy (NIRS) instruments was compared through the investigation of coriander seed authenticity. The Thermo Fisher iS50 NIRS benchtop instrument, the portable Ocean Insights Flame-NIR and the Consumer Physics handheld SCiO device were assessed in conjunction with chemometric modelling in order to determine their predictive capabilities and use as quantitative tools through regression analysis. Two hundred authentic coriander seed samples and ninety adulterated samples were analysed on each device. Prediction models were developed and validated using SIMCA 15 chemometric software. All instruments correctly predicted 100% of the adulterated samples. The best models resulted in correct predictions of 100%, 98.5% and 95.6% for authentic coriander samples using spectra from the iS50, Flame-NIR and SCiO, respectively. The development of regression models highlighted the limitations of the Flame-NIR and SCiO for quantitative analysis, compared to the iS50. However, the results indicate their use as screening tools for on-site analysis of food, at various stages of the food supply chain. Chemometrics ; Near-infrared spectroscopy ; Mobile device ; Partial least squares regression ; Chromatography ; Mathematics ; Chemistry ; Computer science ; Process engineering ; Analytical Chemistry (journal) ; Statistics ; Engineering ; Biology Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Advanced Chemical Sensor Technologies
Authors: Andréas Flaureau | Alicia Weibel | Geoffroy Chevallier | Claude Estournès
Source: Journal of the European Ceramic Society (article, 2021-01-22)
Field: Materials Science — Ceramics and Composites

Study of the densification and grain growth mechanisms occurring during spark plasma sintering of different submicronic yttria-stabilized zirconia powders Materials science ; Spark plasma sintering ; Grain growth ; Sintering ; Cubic zirconia ; Yttria-stabilized zirconia ; Grain boundary ; Ceramic ; Grain Boundary Sliding ; Grain size ; Grain boundary diffusion coefficient ; Composite material ; Metallurgy ; Microstructure Advanced ceramic materials synthesis ; Advanced materials and composites ; High-Temperature Coating Behaviors
Authors: Robert J. Falconer | Boelo Schuur | Anthony Mittermaier
Source: Journal of Molecular Recognition (review, 2021-05-11)
Field: Chemistry — Physical and Theoretical Chemistry

Applications of isothermal titration calorimetry in pure and applied research from 2016 to 2020 The last 5 years have seen a series of advances in the application of isothermal titration microcalorimetry (ITC) and interpretation of ITC data. ITC has played an invaluable role in understanding multiprotein complex formation including proteolysis-targeting chimeras (PROTACS), and mitochondrial autophagy receptor Nix interaction with LC3 and GABARAP. It has also helped elucidate complex allosteric communication in protein complexes like trp RNA-binding attenuation protein (TRAP) complex. Advances in kinetics analysis have enabled the calculation of kinetic rate constants from pre-existing ITC data sets. Diverse strategies have also been developed to study enzyme kinetics and enzyme-inhibitor interactions. ITC has also been applied to study small molecule solvent and solute interactions involved in extraction, separation, and purification applications including liquid-liquid separation and extractive distillation. Diverse applications of ITC have been developed from the analysis of protein instability at different temperatures, determination of enzyme kinetics in suspensions of living cells to the adsorption of uremic toxins from aqueous streams. Isothermal titration calorimetry ; Chemistry ; Isothermal microcalorimetry ; Kinetics ; Enzyme kinetics ; Chromatography ; Enzyme ; Biochemistry ; Active site ; Thermodynamics thermodynamics and calorimetric analyses ; Electrochemical sensors and biosensors ; Lipid Membrane Structure and Behavior
Authors: M. Chadili | M. M. Rguiti | Brahim El Ibrahimi | Rachid Oukhrib | Aaziz Jmiai | M. Beelkhaouda | L. Bammou | Mustapha Hilali | L. Bazzi
Source: International Journal of Corrosion (article, 2021-01-27)
Field: Materials Science — Materials Chemistry

Corrosion Inhibition of 3003 Aluminum Alloy in Molar Hydrochloric Acid Solution by Olive Oil Mill Liquid By-Product According to the literature, the works on the inhibition of aluminum alloy corrosion using naturally occurring compounds are limited. For this, the inhibiting effect of oil mill liquid by-product (OMW) on the corrosion of 3003 aluminum alloy (AA3003) in molar hydrochloric acid solution was evaluated using electrochemical techniques. In parallel, a computational approach based on DFT/B3LYP and Monte Carlo methods was used to understand the inhibition process under electronic and atomic scales, respectively. The experimental results reveal that OMW has a good inhibiting effect on the corrosion of AA3003 alloy in the tested solution and acts as a cathodic inhibitor. The inhibitory efficiency increases by increasing OMW concentration to attain 89% at 6.0 ppm. The effect of temperature shows that the inhibition efficiency of OMW decreases with temperature rising. Nevertheless, a good prevention capacity of 83% is obtained at 338 K. Such interesting achieved protection property was attributed to the adsorption of OMW constituents onto the alloy surface via a mixed physichemisorption process. This process is found to obey the Langmuir adsorption isotherm. Furthermore, the activation thermodynamic parameters of the corrosion process of AA3003 alloy were also determined and discussed. The computational outcomes outlined the ability of the OMW components to interact favorably with the metal surface, hence the formation of a protective layer, which justified the observed inhibition behaviors. Conferring to the present study, OMW can be used as a good green corrosion inhibitor for AA3003 alloy in the acidic medium. Corrosion ; Hydrochloric acid ; Alloy ; Adsorption ; Materials science ; Langmuir adsorption model ; Electrochemistry ; Metallurgy ; Corrosion inhibitor ; Aluminium ; Chemical engineering ; Chemistry ; Organic chemistry ; Physical chemistry Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Metal Extraction and Bioleaching
Authors: Nana Yang | Hanzhou Wu | Shidong Wang | Guoliang Yuan | Ji Zhang | Oleg Sokolov | М. И. Бичурин | Ke Wang | Yaojin Wang
Source: APL Materials (article, 2021-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ultrasensitive flexible magnetoelectric sensor Ever-evolving advances in flexible magnetic sensors are promising to fuel technological developments in the fields of touchless human–machine interaction, implantable medical diagnosis, and magnetoreception for artificial intelligence. However, the realization of highly flexible and extremely sensitive magnetic sensors remains a challenge. Here, we report a cost-effective, flexible, and ultra-sensitive heterostructural magnetoelectric (ME) sensor consisting of piezoelectric Pb(Zr0.52Ti0.48)O3 (PZT) thick films and Metglas foils. The flexible sensor exhibits a strong ME coefficient of 19.3 V cm−1 Oe−1 at low frequencies and 280.5 V cm−1 Oe−1 at resonance due to the exceptionally high piezoelectric coefficient d33 ∼ 72 pC N−1 of the constituent PZT thick films. The flexible ME sensor possesses not only ultrahigh sensitivities of 200 nT at low frequencies and 200 pT at resonance but also shows an excellent mechanical endurance. Through 5000 bending cycles (radii of ∼1 cm), the sensors showed no fatigue-induced performance degradation. This ultrasensitive flexible sensor provides a platform capable of sensing and responding to external magnetic fields and will find applications in soft robotics, wearable healthcare monitoring, and consumer electronics. Metglas ; Materials science ; Magnetostriction ; Piezoelectricity ; Electronics ; Wearable computer ; Optoelectronics ; Magnetic field ; Nanotechnology ; Electrical engineering ; Computer science ; Composite material ; Embedded system Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Magnetic and transport properties of perovskites and related materials
Authors: Soon‐Hyeok Hwang | Hongsik Kim | Hanseul Ryu | Illia E. Serdiuk | Dongwhan Lee | Tae‐Lim Choi
Source: Journal of the American Chemical Society (article, 2021-12-30)
Field: Materials Science — Materials Chemistry

Powerful Direct C–H Amidation Polymerization Affords Single-Fluorophore-Based White-Light-Emitting Polysulfonamides by Fine-Tuning Hydrogen Bonds The development of white-light-emitting polymers has been actively pursued because of the importance of such polymers in various applications, such as lighting sources and displays. To generate white-light, numerous research efforts have focused on synthesizing multifluorophore-based random copolymers to effectively cover the entire visible region. However, due to their intrinsic synthetic and structural features, this strategy has limitations in securing color reproducibility and stability. Herein, we report the development of single-fluorophore-based white-light-emitting homopolymers with excellent color reproducibility. A powerful direct C-H amidation polymerization (DCAP) strategy enabled the synthesis of defect-free polysulfonamides that emit white-light via excited-state intramolecular proton-transfer (ESIPT). To gain structural insights for designing such polymers, we conducted detailed model studies by varying the electronic nature of substituents that allow facile tuning of the emission colors. Further analysis revealed precise control of the thermodynamics of the ESIPT process by fine-tuning the strength of the intramolecular hydrogen bond. By applying this design principle to polymerization, we successfully produced a series of well-defined polysulfonamides with single-fluorophore emitting white-light. The resulting polymers emitted consistent fluorescence, regardless of their molecular weights or phases (i.e., solution, powder, or thin film), guaranteeing excellent color reproducibility. With these advantages in hand, we also demonstrated practical use of our DCAP system by fabricating a white-light-emitting coated LED. Fluorophore ; Chemistry ; Polymerization ; Polymer ; Intramolecular force ; Hydrogen bond ; Photochemistry ; Fluorescence ; Nanotechnology ; Molecule ; Materials science ; Optics ; Organic chemistry Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Radical Photochemical Reactions
Authors: Chia‐Hsin Lin | Jiahui Lin | Chien‐Fu Chen | Yoshihiro Ito | Shyh‐Chyang Luo
Source: Journal of Food and Drug Analysis (review, 2021-12-14)
Field: Materials Science — Polymers and Plastics

Conducting polymer-based sensors for food and drug analysis Conducting polymers (CPs) are a category of polymeric materials with conjugated main chains. The characteristic electrical and optical properties of CPs can be fine-tuned through controlling the doping states of CPs. Because of their long-term stability in water, CPs have been demonstrated as electroactive biointerfaces and electrode materials especially in aqueous environments. Serving as multifunctional interfaces and organic electrodes for the integration bioelectronics and devices, CPs have been studied and applied in various biological applications. This paper provides a review of conducting polymer-based electrochemical sensors, particularly those used in biological fields. General conducting polymers and derivatives and their main electrochemical sensing platforms with different design of devices are introduced. Cyclic voltammetry, differential pulse voltammetry, chronoamperometry, electrochemical impedance spectroscopy, and quartz crystal microbalance methods and their features are then explored as detection methods for the analysis of drugs and food. To enhance the sensitivity and lower the detection limit of sensing platforms, various CP-based nanocomposites have been designed and developed. Although the electrodes made of CP-based nanocomposites usually outperform those made of pristine CPs, more systematic studies are required to provide insights into the design of nanocomposite-based electrodes. More applications of CP-based sensors for advanced food and drug analyses are expected. Bioelectronics ; Chronoamperometry ; Materials science ; Cyclic voltammetry ; Nanotechnology ; Conductive polymer ; Quartz crystal microbalance ; Electrode ; Dielectric spectroscopy ; Nanocomposite ; Polymer ; Differential pulse voltammetry ; Biosensor ; Electrochemistry ; Chemistry ; Composite material ; Organic chemistry Conducting polymers and applications ; Electrochemical sensors and biosensors ; Electrochemical Analysis and Applications