jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hamza Moussa | Farid Dahmoune | Sabrina Lekmine | Amal Mameri | Hichem Tahraoui | Sarah Hamid | Nourelimane Benzitoune | Nassim Moula | Jie Zhang | Abdeltif Amrane
Source: Process Biochemistry (article, 2024-10-23)
Field: Chemistry — Analytical Chemistry

Optimization of ultrasound-assisted extraction of bioactive compounds from Carthamus caeruleus L. rhizome: Integrating central composite design, Gaussian process regression, and multi-objective Grey Wolf optimization approaches Rhizome ; Carthamus ; Central composite design ; Extraction (chemistry) ; Regression ; Kriging ; Composite number ; Gaussian process ; Process (computing) ; Computer science ; Gaussian ; Statistics ; Mathematics ; Chemistry ; Chromatography ; Biology ; Response surface methodology ; Traditional medicine ; Botany ; Medicine ; Algorithm Spectroscopy and Chemometric Analyses ; Field-Flow Fractionation Techniques ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Santiago Cañellas | Manuel Nuño | Elisabeth Speckmeier
Source: Nature Communications (article, 2024-01-05)
Field: Chemistry — Organic Chemistry

Improving reproducibility of photocatalytic reactions—how to facilitate broad application of new methods Photocatalysis, as a powerful tool for synthetic transformations, has the potential to impact industrial applications. In this commentary, we discuss the challenges and requirements with respect to reproducing published photocatalytic reactions in the (life science) industry. Photocatalysis ; Nanotechnology ; Computer science ; Reproducibility ; Biochemical engineering ; Process engineering ; Data science ; Materials science ; Chemistry ; Engineering ; Catalysis Radical Photochemical Reactions ; Advanced Photocatalysis Techniques ; Sulfur-Based Synthesis Techniques
Authors: Muhammad Haseeb Iqbal | Halima Kerdjoudj | Fouzia Boulmedais
Source: Chemical Science (article, 2024-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Protein-based layer-by-layer films for biomedical applications The surface engineering of biomaterials is crucial for their successful (bio)integration by the body, <i>i.e.</i> the colonization by the tissue-specific cell, and the prevention of fibrosis and/or bacterial colonization. Performed at room temperature in an aqueous medium, the layer-by-layer (LbL) coating method is based on the alternating deposition of macromolecules. Versatile and simple, this method allows the functionalization of surfaces with proteins, which play a crucial role in several biological mechanisms. Possessing intrinsic properties (cell adhesion, antibacterial, degradable, <i>etc.</i>), protein-based LbL films represent a powerful tool to control bacterial and mammalian cell fate. In this article, after a general introduction to the LbL technique, we will focus on protein-based LbL films addressing different biomedical issues/domains, such as bacterial infection, blood contacting surfaces, mammalian cell adhesion, drug and gene delivery, and bone and neural tissue engineering. We do not consider biosensing applications or electrochemical aspects using specific proteins such as enzymes. Layer by layer ; Layer (electronics) ; Macromolecule ; Surface modification ; Nanotechnology ; Deposition (geology) ; Materials science ; S-layer ; Chemistry ; Biophysics ; Biology ; Biochemistry Polymer Surface Interaction Studies ; Nanofabrication and Lithography Techniques ; Molecular Junctions and Nanostructures
Authors: Xinlei Huangfu | Zhongzhen Wang | Yu Chen | Junnian Wei | Wei Liu | Wen‐Xiong Zhang
Source: National Science Review (article, 2024-05-02)
Field: Chemistry — Inorganic Chemistry

Recent progress on the functionalization of white phosphorus in China Direct synthesis of organophosphorus compounds from white phosphorus represents a significant but challenging subject, especially in the context of ongoing efforts to comprehensively improve the phosphorus-derived chemical industry driven by sustainability and safety concerns. China is the world's largest producer of white phosphorus, creating a significant demand for the green transformation of this crucial feedstock. This review provides an overview of advancements in white phosphorus activation by Chinese research teams, focusing on the direct construction of P‒C/N/O/S/M bonds from white phosphorus. Additionally, we offer some insights into prospective directions for the activation and transformation of white phosphorus in the future. This review paper aims to attract more researchers to engage in this area, stimulating follow-up exploration and fostering enduring advances. White Phosphorus ; Context (archaeology) ; Phosphorus ; Sustainability ; White (mutation) ; White paper ; China ; Political science ; Chemistry ; Geography ; Biology ; Organic chemistry ; Ecology ; Law Asymmetric Hydrogenation and Catalysis ; Chemical Synthesis and Reactions ; Chemical Synthesis and Characterization
Authors: Karnatakam Paavani | Khushboo Agarwal | Shah Saud Alam | Srikanta Dinda | Iyman Abrar
Source: Sustainable Energy & Fuels (article, 2024-11-20)
Field: Materials Science — Materials Chemistry

Advances in plastic to fuel conversion: reactor design, operational optimization, and machine learning integration Plastic waste management is a pressing global problem that requires sustainable solutions to mitigate environmental harm. Plastic waste ; Harm ; Pyrolysis ; Waste management ; Pressing ; Manufacturing engineering ; Environmental science ; Engineering ; Mechanical engineering Graphite, nuclear technology, radiation studies ; Mineral Processing and Grinding ; Thermochemical Biomass Conversion Processes
Authors: Linxing Si | Qian Wu | Yulong Jin | Zhuo Wang
Source: Frontiers in Chemistry (article, 2024-05-28)
Field: Chemistry — Electrochemistry

Research progress in the detection of trace heavy metal ions in food samples Food safety is the basis for ensuring human survival and development. The threat of heavy metal ions to food safety has become a social concern with the rapid growth of the economy and the accompanying environmental pollution. Some heavy metal ions are highly toxic even at trace levels and pose significant health risks to humans. Therefore, ultrasensitive detection of heavy metal ions in food samples is important. In this mini-review, recent advances in the analytical methods based on nanomaterials for detecting trace heavy metal ions in food samples are summarized in three categories: electrochemical, colorimetric, and fluorescent methods. We present the features and sensing mechanisms of these three methods, along with typical examples to illustrate their application in the detection of heavy metal ions in foods. This mini-review ends with a discussion of current challenges and future prospects of these approaches for sensing heavy metal ions. The review will help readers understand the principles of these methods, thereby promoting the development of new analytical methods for the detection of heavy metal ions in food samples. Metal ions in aqueous solution ; Heavy metals ; Environmental chemistry ; TRACE (psycholinguistics) ; Human health ; Trace metal ; Nanotechnology ; Environmental science ; Food safety ; Metal ; Chemistry ; Materials science ; Metallurgy ; Environmental health ; Food science Electrochemical Analysis and Applications ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors
Authors: Saehwa Chong | Brian J. Riley | Xiaonan Lu | Jincheng Du | Thiruvillamalai Mahadevan | Vinay I. Hegde
Source: RSC Advances (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and properties of anhydrous rare-earth phosphates, monazite and xenotime: a review The synthesis methods, crystal structures, and properties of anhydrous monazite and xenotime (REPO<sub>4</sub>) crystalline materials are summarized within this review. For both monazite and xenotime, currently available Inorganic Crystal Structure Database data were used to study the effects of incorporating different RE cations on the unit cell parameters, cell volumes, densities, and bond lengths. Domains of monazite-type and xenotime-type structures and other AXO<sub>4</sub> compounds (A = RE; X = P, As, V) are discussed with respect to cation sizes. Reported chemical and radiation durabilities are summarized. Different synthesis conditions and chemicals used for single crystals and polycrystalline powders, as well as first-principles calculations of the structures and thermophysical properties of these minerals are also provided. Monazite ; Anhydrous ; Rare earth ; Lanthanide ; Mineralogy ; Materials science ; Crystal structure ; Inorganic chemistry ; Chemistry ; Geochemistry ; Geology ; Crystallography ; Zircon ; Organic chemistry ; Ion Nuclear materials and radiation effects ; Inorganic Chemistry and Materials ; Chemical Synthesis and Characterization
Authors: Mehdi Feizpour | Qing Liu | Tom Van der Donck | Hugo Thienpont | Wendy Meulebroeck | Heidi Ottevaere
Source: Journal of Physics Photonics (article, 2024-02-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Characterizing planar SERS substrates: unraveling the link between physical characteristics and performance metrics Abstract Surface-enhanced Raman spectroscopy (SERS) is a powerful optical sensing technique used in various applications, including medicine, microbiology, and environmental analysis. Planar SERS substrates are of particular interest due to their ease of integration in lab-on-chips and better reproducibility compared to colloidal SERS. The performance of these SERS substrates is quantified using metrics such as enhancement factor, sensitivity, and reproducibility. However, there is yet to be a consensus on how to practically compare and interpret such metrics in publications and experiments. These performance metrics are strongly influenced by the nanostructures’ material, architecture, element sizes, as well as the circumstances surrounding the experiments. Understanding the effect of these characteristics on the SERS substrates’ performance could not only enable a better performance but also direct their development for different applications. Thus, we prepared a planar SERS-substrate characterization methodology to explore the correlation between the nanostructures’ physical characteristics and the performance metrics through coordinate-transformed spectroscopic measurements over structure-characterized areas. Seven commercial SERS substrates, with various surface architectures fabricated using different fabrication technologies, were studied using this benchmarking methodology. The results demonstrated how this methodology can indicate a SERS substrate’s suitability for a specific application, thus, guiding the substrate’s further adaptations or development. Nanotechnology ; Substrate (aquarium) ; Surface-enhanced Raman spectroscopy ; Planar ; Materials science ; Raman spectroscopy ; Fabrication ; Nanostructure ; Reproducibility ; Computer science ; Benchmarking ; Raman scattering ; Chemistry ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Biosensors and Analytical Detection ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Ju Han | Sung Hyun Park | Ye Seul Jung | Yong Soo Cho
Source: Nature Communications (article, 2024-05-16)
Field: Materials Science — Materials Chemistry

High-performance piezoelectric energy harvesting in amorphous perovskite thin films deposited directly on a plastic substrate Most reported thin-film piezoelectric energy harvesters have been based on cantilever-type crystalline ferroelectric oxide thin films deposited on rigid substrates, which utilize vibrational input sources. Herein, we introduce flexible amorphous thin-film energy harvesters based on perovskite CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub> (CCTO) thin films on a plastic substrate for highly competitive electromechanical energy harvesting. The room-temperature sputtering of CCTO thin films enable the use of plastic substrates to secure reliable flexibility, which has not been available thus far. Surprisingly, the resultant amorphous nature of the films results in an output voltage and power density of ~38.7 V and ~2.8 × 10<sup>6</sup> μW cm<sup>-3</sup>, respectively, which break the previously reported record for typical polycrystalline ferroelectric oxide thin-film cantilevers. The origin of this excellent electromechanical energy conversion is systematically explored as being related to the localized permanent dipoles of TiO<sub>6</sub> octahedra and lowered dielectric constant in the amorphous state, depending on the stoichiometry and defect states. This is the leading example of a high-performance flexible piezoelectric energy harvester based on perovskite oxides not requiring a complex process for transferring films onto a plastic substrate. Materials science ; Substrate (aquarium) ; Energy harvesting ; Perovskite (structure) ; Piezoelectricity ; Amorphous solid ; Thin film ; Optoelectronics ; Composite material ; Nanotechnology ; Energy (signal processing) ; Chemical engineering ; Chemistry ; Crystallography ; Biology ; Physics Dielectric properties of ceramics ; Advanced Sensor and Energy Harvesting Materials ; Ferroelectric and Piezoelectric Materials
Authors: Giacomo Squeo | Jordi Cruz | Davide De Angelis | Francesco Caponio | José Manuel Amigo
Source: Current Opinion in Food Science (article, 2024-08-02)
Field: Chemistry — Analytical Chemistry

Considerations about the gap between research in near-infrared spectroscopy and official methods and recommendations of analysis in foods Near-infrared spectroscopy (NIR spectroscopy) is a powerful analytical technology for measuring food characteristics. More and more applications of NIR spectroscopy have been studied, and an increasing number of commercial solutions are available on the market. However, only 25 documents about NIR spectroscopy have been issued by international bodies, while the number of scientific papers published in recent years has always been higher than 60/year. Studies prove that NIR spectroscopy could boost the sustainability of the food system, the food quality, and the optimisation of production by real-time monitoring. Considering the technical, analytical, and environmental advantages of NIR spectroscopy, more efforts should be made to extend the applicability of NIR spectroscopy solutions and promote the development of more official methods based on NIR spectroscopy. Spectroscopy ; Near-infrared spectroscopy ; Infrared spectroscopy ; Environmental science ; Computer science ; Materials science ; Chemistry ; Physics ; Optics Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Jinwoong Hwang | Wei Ruan | Yi Chen | Shujie Tang | Michael F. Crommie | Zhi‐Xun Shen | Sung‐Kwan Mo
Source: Reports on Progress in Physics (article, 2024-03-22)
Field: Materials Science — Materials Chemistry

Charge density waves in two-dimensional transition metal dichalcogenides Charge density wave (CDW is one of the most ubiquitous electronic orders in quantum materials. While the essential ingredients of CDW order have been extensively studied, a comprehensive microscopic understanding is yet to be reached. Recent research efforts on the CDW phenomena in two-dimensional (2D) materials provide a new pathway toward a deeper understanding of its complexity. This review provides an overview of the CDW orders in 2D with atomically thin transition metal dichalcogenides (TMDCs) as the materials platform. We mainly focus on the electronic structure investigations on the epitaxially grown TMDC samples with angle-resolved photoemission spectroscopy and scanning tunneling microscopy/spectroscopy as complementary experimental tools. We discuss the possible origins of the 2D CDW, novel quantum states coexisting with them, and exotic types of charge orders that can only be realized in the 2D limit. Charge density wave ; Scanning tunneling microscope ; Physics ; Condensed matter physics ; Photoemission spectroscopy ; Spectroscopy ; Quantum tunnelling ; Charge ordering ; Scanning tunneling spectroscopy ; Quantum ; Charge (physics) ; Transition metal ; Electronic structure ; Nanotechnology ; Chemical physics ; X-ray photoelectron spectroscopy ; Quantum mechanics ; Materials science ; Chemistry ; Nuclear magnetic resonance 2D Materials and Applications ; Perovskite Materials and Applications ; Ga2O3 and related materials
Authors: Yuanpeng Bu | Jinxuan Hu | Cheng Chen | Songhang Bai | Zuohui Chen | Tianyu Hu | Guwen Zhang | Na Liu‎ | Chang Cai | Yuhao Li | Qi Xuan | Ye Wang | Zhongjing Su | Yun Xiang | Yaming Gong
Source: Scientific Reports (article, 2024-01-31)
Field: Chemistry — Analytical Chemistry

ResNet incorporating the fusion data of RGB &amp; hyperspectral images improves classification accuracy of vegetable soybean freshness The freshness of vegetable soybean (VS) is an important indicator for quality evaluation. Currently, deep learning-based image recognition technology provides a fast, efficient, and low-cost method for analyzing the freshness of food. The RGB (red, green, and blue) image recognition technology is widely used in the study of food appearance evaluation. In addition, the hyperspectral image has outstanding performance in predicting the nutrient content of samples. However, there are few reports on the research of classification models based on the fusion data of these two sources of images. We collected RGB and hyperspectral images at four different storage times of VS. The ENVI software was adopted to extract the hyperspectral information, and the RGB images were reconstructed based on the downsampling technology. Then, the one-dimensional hyperspectral data was transformed into a two-dimensional space, which allows it to be overlaid and concatenated with the RGB image data in the channel direction, thereby generating fused data. Compared with four commonly used machine learning models, the deep learning model ResNet18 has higher classification accuracy and computational efficiency. Based on the above results, a novel classification model named ResNet-R &H, which is based on the residual networks (ResNet) structure and incorporates the fusion data of RGB and hyperspectral images, was proposed. The ResNet-R &H can achieve a testing accuracy of 97.6%, which demonstrates a significant enhancement of 4.0% and 7.2% compared to the distinct utilization of hyperspectral data and RGB data, respectively. Overall, this research is significant in providing a unique, efficient, and more accurate classification approach in evaluating the freshness of vegetable soybean. The method proposed in this study can provide a theoretical reference for classifying the freshness of fruits and vegetables to improve classification accuracy and reduce human error and variability. Hyperspectral imaging ; RGB color model ; Artificial intelligence ; Computer science ; Pattern recognition (psychology) ; Sensor fusion ; Deep learning ; Remote sensing ; Computer vision ; Geography Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Smart Agriculture and AI
Authors: Jiayuan Yue | Qi Zheng | Shushu Ding | Yujian Yin | Xiaodan Zhang | Liyun Wang | Yipeng Gu | Jiejia Li | Yuhan Zhang | Yurou Shi | Yuetan Dong | Qing Zhu | Huixiao Duo
Source: Scientific Reports (article, 2024-07-30)
Field: Chemistry — Inorganic Chemistry

Cu–Co bimetallic organic framework as effective adsorbents for enhanced adsorptive removal of tetracycline antibiotics In this study, the removal effect of a new MOF-on MOF adsorbent based on Cu-Co bimetallic organic frameworks on tetracycline antibiotics (TCs) in water system was studied. The adsorbent (Cu-MOF@Co-MOF) were synthesized by solvothermal and self-assembly method at different concentrations of Co<sup>2+</sup>/Cu<sup>2+</sup>. The characterization results of SEM, XRD, XPS, FTIR and BET indicated that the MOF-on MOF structure of Cu-MOF@Co-MOF exhibited the best recombination and physicochemical properties when the molar ratio of Co<sup>2+</sup>: Cu<sup>2+</sup> is 5:1. In addition, the Cu-MOF@Co-MOF have a high specific surface area and bimetallic clusters, which can achieve multi-target synergistic adsorption of TCs. Based on above advantages, Cu-MOF@Co-MOF provided a strong affinity and could efficiently adsorb more than 80% of pollutants in just 5 to 15 min using only 10 mg of the adsorbent. The adsorption capacity of tetracycline and doxycycline was 434.78 and 476.19 mg/g, respectively, showing satisfactory adsorption performance. The fitting results of the experimental data were more consistent with the Langmuir isotherm model and pseudo-second-order kinetic model, indicating that the adsorption process of TC and DOX occurred at the homogeneous adsorption site and was mainly controlled by chemisorption. Thermodynamic experiments showed that Cu-MOF@Co-MOF was thermodynamically advantageous for the removal of TCs, and the whole process was spontaneous. The excellent adsorption capacity and rapid adsorption kinetics indicate the prepared MOF-on MOF adsorbent can adsorb TCs economically and quickly, and have satisfactory application prospects for removing TCs in practical environments. The results of the study pave a new way for preparing novel MOFs-based water treatment materials with great potential for efficient removal. Adsorption ; Bimetallic strip ; Langmuir adsorption model ; Chemistry ; Chemisorption ; Tetracycline antibiotics ; Fourier transform infrared spectroscopy ; Metal-organic framework ; Nuclear chemistry ; Chemical engineering ; Specific surface area ; Tetracycline ; Catalysis ; Organic chemistry ; Antibiotics Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Covalent Organic Framework Applications
Authors: Daniel Dinculescu | Manuela Rossemary Apetroaei | Cristiana Luminița Gîjiu | Mirela Anton | Laura Enache | Verginica Schröder | Raluca Isopescu | Ileana Rău
Source: Polymers (article, 2024-01-06)
Field: Materials Science — Biomaterials

Simultaneous Optimization of Deacetylation Degree and Molar Mass of Chitosan from Shrimp Waste Shrimp waste is a valuable source for chitin extraction and consequently for chitosan preparation. In the process of obtaining chitosan, a determining step is the chitin deacetylation. The main characteristic of chitosan is the degree of deacetylation, which must be as high as possible. The molar mass is another important parameter that defines its utilizations, and according to these, high or low molar masses are required. The present study is an attempt to optimize the deacetylation step to obtain chitosan with a high degree of deacetylation and high or low molar mass. The study was carried out based on experimental data obtained in the frame of a central composite design where three working parameters were considered: NaOH concentration, liquid:solid ratio, and process duration. The regression models defined for the degree of deacetylation (DD) and for the mean molar mass (MM) of chitosan powders were used in the formulation of optimization problems. The objectives considered were simultaneous maximum DD and maximum/minimum MM for the final chitosan samples. For these purposes, multiobjective optimization problems were formulated and solved using genetic algorithms implemented in Matlab<sup>®</sup>. The multiple optimal solutions represented by trade-offs between the two objectives are presented for each case. Chitosan ; Molar mass ; Chitin ; Molar ; Degree (music) ; Shrimp ; Materials science ; Computer science ; Mathematics ; Process engineering ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Polymer ; Engineering ; Physics ; Geology Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties ; Microencapsulation and Drying Processes