jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Francesco Gagliani | Tiziano Di Giulio | Muhammad Ibrar Asif | Cosimino Malitesta | Elisabetta Mazzotta
Source: Biosensors (review, 2024-07-22)
Field: Chemistry — Analytical Chemistry

Boosting Electrochemical Sensing Performances Using Molecularly Imprinted Nanoparticles Nanoparticles of molecularly imprinted polymers (nanoMIPs) combine the excellent recognition ability of imprinted polymers with specific properties related to the nanosize, such as a high surface-to-volume ratio, resulting in highly performing recognition elements with surface-exposed binding sites that promote the interaction with the target and, in turn, binding kinetics. Different synthetic strategies are currently available to produce nanoMIPs, with the possibility to select specific conditions in relation to the nature of monomers/templates and, importantly, to tune the nanoparticle size. The excellent sensing properties, combined with the size, tunability, and flexibility of synthetic protocols applicable to different targets, have enabled the widespread use of nanoMIPs in several applications, including sensors, imaging, and drug delivery. The present review summarizes nanoMIPs applications in sensors, specifically focusing on electrochemical detection, for which nanoMIPs have been mostly applied. After a general survey of the most widely adopted nanoMIP synthetic approaches, the integration of imprinted nanoparticles with electrochemical transducers will be discussed, representing a key step for enabling a reliable and stable sensor response. The mechanisms for electrochemical signal generation will also be compared, followed by an illustration of nanoMIP-based electrochemical sensor employment in several application fields. The high potentialities of nanoMIP-based electrochemical sensors are presented, and possible reasons that still limit their commercialization and issues to be resolved for coupling electrochemical sensing and nanoMIPs in an increasingly widespread daily-use technology are discussed. Molecularly imprinted polymer ; Materials science ; Nanotechnology ; Electrochemical gas sensor ; Nanoparticle ; Molecular imprinting ; Computer science ; Electrochemistry ; Electrode ; Chemistry ; Selectivity Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors
Authors: Erkan Tur | Fahrettin Öztürk
Source: Kocaeli Journal of Science and Engineering (review, 2024-11-30)
Field: Materials Science — Biomaterials

AZ31 Magnesium Alloy in the Aerospace Industry: A Review on the Effect of Composition, Microstructure, and Mechanical Properties on Alloy Performance This comprehensive review article overviews AZ31, a highly researched magnesium alloy known for its exceptional mechanical properties, lightweight nature, and corrosion resistance. It covers the alloy's composition, microstructure, mechanical properties, applications, and prospects. AZ31's microstructure is influenced by its aluminum (Al) and zinc (Zn) composition, resulting in significant magnesium-aluminum intermetallic phase formation, critical for tailoring the alloy's properties to meet specific application needs. AZ31 exhibits impressive specific strength, excellent castability, and favorable ductility influenced by alloying elements, microstructure, and processing methods. The article discusses manufacturing processes like casting, rolling, and extrusion, which impact the alloy's microstructure and mechanical properties. It also explores the corrosion behavior of AZ31, emphasizing factors affecting corrosion resistance and strategies for improvement. Due to its lightweight properties, high strength-to-weight ratio, and electromagnetic shielding capabilities, AZ31 is widely used in various industries, including automotive, aerospace, electronics, and biomedical. Ongoing research focuses on alloy modifications, surface treatments, and additive manufacturing to enhance AZ31's properties and address challenges like limited formability and corrosion resistance. This review article is a valuable resource for researchers, engineers, and professionals exploring AZ31's potential for lightweight materials and diverse applications in different industries. Microstructure ; Materials science ; Corrosion ; Castability ; Metallurgy ; Alloy ; Specific strength ; Casting ; Extrusion ; Formability ; Ductility (Earth science) ; Magnesium alloy ; Intermetallic ; Composite material ; Creep ; Composite number Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Aluminum Alloy Microstructure Properties
Authors: Zarina Shulgau | Ирина В. Паламарчук | Shynggys Sergazy | Assel Urazbayeva | Yerlan Ramankulov | И. В. Кулаков
Source: Pharmaceuticals (article, 2024-03-15)
Field: Chemistry — Organic Chemistry

Synthesis, Computational Study, and In Vitro α-Glucosidase Inhibitory Action of 1,3,4-Thiadiazole Derivatives of 3-Aminopyridin-2(1H)-ones This article reports on the synthesis of nine promising new 1,3,4-thiadiazole derivatives based on 3-aminopyridones, containing various acidic linkers. The synthesis was carried out by cyclizing the corresponding thiohydrazides <b>4a</b>-<b>c</b> and anhydrides of glutaric, maleic, and phthalic acids upon heating in acetic acid solution. The conducted bio-screening of the synthesized new 1,3,4-thiadiazole derivatives containing different acidic linkers (butanoic, acrylic, and benzoic acids) showed that they have significant inhibitory activity against <i>α</i>-glucosidase (up to 95.0%), which is 1.9 times higher than the value for the reference drug acarbose (49.5%). Moreover, one of the 1,3,4-thiadiazole derivatives with a benzoic acid linker-2-(5-((6-Methyl-2-oxo-4-(thiophen-2-yl)-1,2-dihydropyridin-3-yl)carbamoyl)-1,3,4-thiadiazol-2-yl)benzoic acid (<b>9'b</b>)-showed an IC<sub>50</sub> value of 3.66 mM, nearly 3.7 times lower than that of acarbose (IC<sub>50</sub> = 13.88 mM). High inhibitory activity was also shown by 1,3,4-thiadiazole derivatives with a butanoic acid linker (compounds <b>7b</b>, <b>7c</b>)-with IC<sub>50</sub> values of 6.70 and 8.42 mM, respectively. A correlation between the structure of the compounds and their activity was also established. The results of molecular docking correlated well with the bioanalytical data. In particular, the presence of a butanoic acid linker and a benzoic fragment in compounds <b>7b</b>, <b>7c</b>, and <b>9b</b> increased their binding affinity with selected target proteins compared to other derivatives <b>3</b>-<b>6</b> (<b>a</b>-<b>c</b>). Calculations according to Lipinski's rule of five also showed that the synthesized compounds <b>7b</b>, <b>7c</b>, and <b>9b</b> fully comply with Ro5 and meet all criteria for good permeability and acceptable oral bioavailability of potential drugs. These positive bioanalytical results will stimulate further in-depth studies, including in vivo models. In vitro ; Inhibitory postsynaptic potential ; Action (physics) ; Pharmacology ; Chemistry ; Combinatorial chemistry ; Computational biology ; Stereochemistry ; Biochemistry ; Medicine ; Biology ; Neuroscience ; Physics Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Bioactive Compounds and Antitumor Agents
Authors: Matej Sebek | Zeng Wang | Norton G. West | Ming Yang | Darren C. J. Neo | Xiaodi Su | Shijie Wang | Jisheng Pan | Nguyễn Thị Kim Thanh | Jinghua Teng
Source: npj 2D Materials and Applications (article, 2024-02-08)
Field: Materials Science — Materials Chemistry

Van der Waals enabled formation and integration of ultrathin high-κ dielectrics on 2D semiconductors Abstract A thin dielectric layer is an important constituent element in 2D materials-based electronics and photonics. Current methods of using hexagonal boron nitride (hBN) and direct deposition of dielectric layer induce either high leakage current or unintentional doping and defect. Here we report a technique for damaging free integration of dielectric layer to form high-quality van der Waals (vdW) heterostructure. The dielectric layer is grown by atomic layer deposition (ALD) on 2D materials and then deterministically transferred on the target 2D material. The much weaker binding energy between the ALD dielectric and the 2D materials enables the growth and exfoliation of the atomically thin dielectrics, which is confirmed by the X-ray photoelectron spectroscopy analyses and the density function theory calculations. The effectiveness of the technology is proven by the Raman and photoluminescence measurement on WS 2 monolayer protected by the dielectric film through harsh plasma treatment. Furthermore, a 2D materials-based MOSFET is constructed as a demonstration of the viability of the technology for electronic device applications. The method produces flat surfaces and clean interfaces and would greatly benefit electronic and photonic applications as encapsulation or high- κ gate dielectric. van der Waals force ; Semiconductor ; Dielectric ; Materials science ; Nanotechnology ; Engineering physics ; Condensed matter physics ; Optoelectronics ; Physics ; Quantum mechanics ; Molecule Graphene research and applications ; 2D Materials and Applications ; Semiconductor materials and devices
Authors: Asmaa Atallah El-Sawah | Noura El‐Ahmady El‐Naggar | Heba Eldegla | Hoda M. Soliman
Source: Scientific Reports (article, 2024-02-08)
Field: Materials Science — Biomaterials

Green synthesis of collagen nanoparticles by Streptomyces xinghaiensis NEAA-1, statistical optimization, characterization, and evaluation of their anticancer potential Collagen nanoparticles (collagen-NPs) are promising biopolymeric nanoparticles due to their superior biodegradability and biocompatibility. The low immunogenicity and non-toxicity of collagen-NPs makes it preferable for a wide range of applications. A total of eight morphologically distinct actinomycetes strains were newly isolated from various soil samples in Egypt. The cell-free supernatants of these strains were tested for their ability. These strains' cell-free supernatants were tested for their ability to synthesize collagen-NPs. Five isolates had the ability to biosynthesize collagen-NPs. Among these, a potential culture, Streptomyces sp. NEAA-1, was chosen and identified as Streptomyces xinghaiensis NEAA-1 based on 16S rRNA sequence analysis as well as morphological, cultural and physiological properties. The sequence data has been deposited at the GenBank database under the accession No. OQ652077.1. Face-centered central composite design (FCCD) has been conducted to maximize collagen-NPs biosynthesis. Maximum collagen-NPs was 8.92 mg/mL under the condition of 10 mg/mL of collagen concentration, initial pH 7, incubation time of 48 h and temperature of 35 °C. The yield of collagen-NPs obtained via FCCD optimization (8.92 mg/mL) was 3.32-fold compared to the yield obtained under non-optimized conditions (2.5 mg/mL). TEM analysis of collagen-NPs showed hollow sphere nanoscale particles with mean of 32.63 ± 14.59 nm in diameter. FTIR spectra showed major peaks of amide I, amide II and amide III of collagen and also the cell-free supernatant involved in effective capping of collagen-NPs. The biosynthesized collagen-NPs exhibited anti-hemolytic, antioxidant and cytotoxic activities. The inhibitory concentrations (IC<sub>50</sub>) against MCF-7, HeP-G2 and HCT116 cell lines were 11.62 ± 0.8, 19.60 ± 1.2 and 41.67 ± 2.2 µg/mL; respectively. The in-vivo investigation showed that collagen-NPs can suppress Ehrlich ascites carcinoma (EAC) growth in mice. The collagen-NPs/DOX combination treatment showed considerable tumor growth suppression (95.58%). Collagen-NPs evaluated as nanocarrier with a chemotherapeutic agent, methotrexate (MTX). The average size of MTX loaded collagen-NPs was 42.73 ± 3.5 nm. Encapsulation efficiency percentage (EE %) was 48.91% and drug loading percentage (DL %) was 24.45%. Chemistry ; Biocompatibility ; Amide ; Nanoparticle ; Nuclear chemistry ; Gelatin ; Immunogenicity ; Type I collagen ; Biochemistry ; Nanotechnology ; Materials science ; Biology ; Antibody ; Organic chemistry Collagen: Extraction and Characterization ; Bone Tissue Engineering Materials ; Tannin, Tannase and Anticancer Activities
Authors: Robin Schiemer | Matthias Rüdt | Jürgen Hubbuch
Source: Frontiers in Bioengineering and Biotechnology (article, 2024-01-31)
Field: Chemistry — Analytical Chemistry

Generative data augmentation and automated optimization of convolutional neural networks for process monitoring Chemometric modeling for spectral data is considered a key technology in biopharmaceutical processing to realize real-time process control and release testing. Machine learning (ML) models have been shown to increase the accuracy of various spectral regression and classification tasks, remove challenging preprocessing steps for spectral data, and promise to improve the transferability of models when compared to commonly applied, linear methods. The training and optimization of ML models require large data sets which are not available in the context of biopharmaceutical processing. Generative methods to extend data sets with realistic <i>in silico</i> samples, so-called data augmentation, may provide the means to alleviate this challenge. In this study, we develop and implement a novel data augmentation method for generating <i>in silico</i> spectral data based on local estimation of pure component profiles for training convolutional neural network (CNN) models using four data sets. We simultaneously tune hyperparameters associated with data augmentation and the neural network architecture using Bayesian optimization. Finally, we compare the optimized CNN models with partial least-squares regression models (PLS) in terms of accuracy, robustness, and interpretability. The proposed data augmentation method is shown to produce highly realistic spectral data by adapting the estimates of the pure component profiles to the sampled concentration regimes. Augmenting CNNs with the <i>in silico</i> spectral data is shown to improve the prediction accuracy for the quantification of monoclonal antibody (mAb) size variants by up to 50% in comparison to single-response PLS models. Bayesian structure optimization suggests that multiple convolutional blocks are beneficial for model accuracy and enable transfer across different data sets. Model-agnostic feature importance methods and synthetic noise perturbation are used to directly compare the optimized CNNs with PLS models. This enables the identification of wavelength regions critical for model performance and suggests increased robustness against Gaussian white noise and wavelength shifts of the CNNs compared to the PLS models. Computer science ; Convolutional neural network ; Artificial intelligence ; Robustness (evolution) ; Machine learning ; Hyperparameter ; Preprocessor ; Context (archaeology) ; Interpretability ; Partial least squares regression ; Artificial neural network ; Pattern recognition (psychology) ; Data mining Spectroscopy and Chemometric Analyses ; Fault Detection and Control Systems ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Zhen Meng | Dongqing Liu | Yongqiang Pang | Jiafu Wang | Tianwen Liu | Yan Jia | Haifeng Cheng
Source: Nanophotonics (article, 2024-05-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multispectral metal‐based electro‐optical metadevices with infrared reversible tunability and microwave scattering reduction The demand for advanced camouflage technology is increasing in modern military warfare. Multispectral compatibility and adaptive capabilities are increasingly desired features in camouflage materials. However, due to the strong wavelength dependence and limited tunability of electromagnetic wave responses, achieving simultaneous multispectral compatibility and adaptive capability in a single structure or device remains a challenge. By integrating coding metamaterials with infrared (IR) electrochromic devices, we demonstrate a highly integrated multispectral metal-based electro-optical metadevice. The fabricated metadevices enable the reversible tunability of IR emissivity (0.58 at 3-5 µm, 0.50 at 7.5-13 µm) and wideband microwave scattering reduction (>10 dB at 10-20 GHz). The excellent integration performance is attributed to the remarkable electromagnetic control capabilities of the coding metamaterials in a chessboard-like configuration and the IR electrochromic devices based on metal reversible electrodeposition. Furthermore, the monolithic integrated design with shared barium fluoride substrate and electrodes allows the metadevices to have a simple architecture, and the careful design avoids coupling between functions. Our approach is general enough for the design of various electrochromic devices and metamaterials for multispectral camouflage, offering valuable insights for the development of advanced adaptive multispectral camouflage systems. Multispectral image ; Metamaterial ; Camouflage ; Electrochromism ; Materials science ; Microwave ; Optoelectronics ; Infrared ; Cloaking ; Emissivity ; Optics ; Computer science ; Telecommunications ; Physics ; Electrode Metamaterials and Metasurfaces Applications ; Thermal Radiation and Cooling Technologies ; Advanced Antenna and Metasurface Technologies
Authors: Arslan Khan | Salman Raza Naqvi | Antonis A. Zorpas | Dagmar Juchelková | Imtiaz Ali
Source: Sustainable Chemistry and Pharmacy (article, 2024-07-28)
Field: Materials Science — Materials Chemistry

Thermokinetic study of tannery sludge using combustion and pyrolysis process through non-isothermal thermogravimetric analysis Sludge from the tannery is produced in enormous amount. This work has investigated the thermal analysis behaviour of the tannery sludge by use of the thermogravimetric analysis (TGA). The TGA experiments is carried out in both air and nitrogen environment at the varied heating rates of 5, 10, 20 and 40 °C/min from the temperature range of 30–900 °C. In the assessment of kinetic parameters, the model fitting (Combined kinetics) method was employed. It was investigated that thermal degradation of the tannery sludge sample occurred in three stages. Majorly the conversions were observed in stage II for both in air and nitrogen environment. The activation energy (Ea) value for the combustion is 165.9 kJ/mol while for the pyrolysis the Ea value is obtained as 65.2 kJ/mol from the conversion range between 0.2 and 0.8 which is a promising approximation supported by a strong R2 value of 0.9719 and 0.93 for combustion and pyrolysis respectively. It is estimated from the master plots that six ideal models A1/2, A1/3, A1/4, F3, F4 and D5 were probably in approximation with the linear fitted data for both air and nitrogen. Various thermodynamic parameters which include the ΔH, ΔG and ΔS are also complimented that indicates the formation of activated complex and non-spontaneity of the reaction. The detailed thermokinetic study of the tannery sludge in combustion and pyrolysis offers a novel approach to understanding how this waste material decomposes under different temperature conditions. This holistic perspective contributes valuable insights into waste management practices, environmental impacts, resource recovery, and process optimization within the leather industry. Furthermore, the optimization of leather production processes on a large scale can minimize waste generation and enhance energy efficiency, strengthening the competitiveness and sustainability of the leather industry. Thermogravimetric analysis ; Pyrolysis ; Combustion ; Isothermal process ; Nitrogen ; Heat of combustion ; Activation energy ; Materials science ; Chemical engineering ; Thermal analysis ; Kinetic energy ; Atmospheric temperature range ; Waste management ; Chemistry ; Thermodynamics ; Pulp and paper industry ; Environmental chemistry ; Thermal ; Organic chemistry ; Physics Thermal and Kinetic Analysis ; Thermochemical Biomass Conversion Processes ; Chemical Thermodynamics and Molecular Structure
Authors: Namjung Kim | Dongseok Lee | Chanyoung Kim | Dosung Lee | Youngjoon Hong
Source: npj Computational Materials (article, 2024-10-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Simple arithmetic operation in latent space can generate a novel three-dimensional graph metamaterials Recent advancements in artificial intelligence (AI)-based design strategies for metamaterials have revolutionized the creation of customizable architectures spanning nano- to macro-scale dimensions. However, their increasing complexity poses challenges in generating diverse metamaterials, hindering widespread adoption. Here, we introduce an innovative design strategy for three-dimensional graph metamaterials through simple arithmetic operations within the latent space. By leveraging carefully designed hidden representations of disentangled latent space and diffusion processes, our method unravels design space complexity, generating diverse graph metamaterials with comprehensive understanding. This versatile methodology facilitates the creation of graph metamaterials ranging from repetitive lattices to functionally graded materials. We believe that this methodology represents a foundational step in advancing our comprehension of the intricate latent design space, offering the potential to establish a unified model for various traditional generative models in the realm of graph metamaterials. Simple (philosophy) ; Arithmetic ; Computer science ; Graph ; Space (punctuation) ; Mathematics ; Theoretical computer science ; Algorithm Metamaterials and Metasurfaces Applications ; Advanced Materials and Mechanics ; Interactive and Immersive Displays