jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jikai Wang | Pengfei Zeng | Xilin Xiao | Cheng Zhou | Hua Wei | Cui‐Yun Yu
Source: Nanotechnology (review, 2023-05-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances in nanostructured substrates for surface-enhanced infrared absorption spectroscopy Surface-enhanced infrared absorption (SEIRA) spectroscopy is an emerging research field that has received much attention from the research community. Unlike conventional infrared absorption spectroscopy, SEIRA spectroscopy is a surface sensitive technique that exploits the electromagnetic properties of nanostructured substrates to amplify the vibrational signals of adsorbed molecules. Unique advantages like high sensitivity, wide adaptability, and convenient operation allow SEIRA spectroscopy to be applied in qualitative and quantitative analyses for traces of gases, biomolecules, polymers, and so on. In this review, we summarize recent advances in nanostructured substrates for SEIRA spectroscopy, including the developing history and widely accepted SEIRA mechanisms of SEIRA spectroscopy. Most importantly, characteristics and preparation methods of representative SEIRA-active substrates are introduced. In addition, current deficiencies and prospects in the field of SEIRA spectroscopy are discussed. Spectroscopy ; Infrared spectroscopy ; Materials science ; Biomolecule ; Absorption (acoustics) ; Nanotechnology ; Chemistry ; Organic chemistry ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Electrochemical Analysis and Applications
Authors: Pablo Albacete | Mehrdad Asgari | Yue Yang | Ali N. Al‐Shanks | David Fairen‐Jiménez
Source: Advanced Functional Materials (article, 2023-07-26)
Field: Materials Science — Materials Chemistry

Self‐Shaping Monolithic Reticular Materials: Ingredients for Success Abstract Reticular materials are one of the more promising tools that humankind has developed to address the required energy transition. Despite their great potential showcased in the last decade, their use is so far mainly confined to the laboratory bench due to drawbacks derived from their powdery morphology. Unlike zeolites and activated carbons, the challenges in shaping and densification of reticular materials hamper their full implementation in the industry. Hence, strategies for shaping and integrating these materials need to be prioritized. Most of the existing strategies rely on applying mechanical pressure and adding chemical binders, but these approaches, although useful for shaping, diminish their final adsorption capacities and do not bring their theoretical, predicted performance. On the other hand, obtaining self‐shaped, dense bodies—so‐called monoliths—arises as a very promising and scalable alternative. Sol–gel monoliths are still scarce in the scientific literature despite their outstanding performance, particularly in terms of volumetric adsorption capacity. This review intends to help expand this scope by offering a rational guide on the self‐shaping of dense monoliths for reticular materials, as well as a complete revision of the state‐of‐the‐art in the field. Reticular connective tissue ; Nanotechnology ; Scope (computer science) ; Materials science ; Scalability ; Biochemical engineering ; Computer science ; Process engineering ; Engineering Covalent Organic Framework Applications ; Mesoporous Materials and Catalysis ; Advanced Photocatalysis Techniques
Authors: Xudong Huai | T. Thao Tran
Source: Annual Review of Materials Research (article, 2023-07-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design Principles for Noncentrosymmetric Materials Noncentrosymmetric (NCS) materials feature an exciting array of functionalities such as nonlinear optical (NLO) responses and topological spin textures (skyrmions). While NLO materials and magnetic skyrmions display two different sets of physical properties, their design strategies are deeply connected in terms of atomic-scale precision, structural customization, and electronic tunability. Despite impressive progress in studying these systems separately, a joint road map for navigating the chemical principles for NCS materials remains elusive. This review unites two subtopics of NCS systems, NLO materials and magnetic skyrmions, offering a multifaceted narrative of how to translate the often-abstract fundamentals to the targeted functionalities while inviting innovative approaches from the community. We outline the design principles central to the desired properties by exemplifying relevant examples in the field. We supplement materials chemistry with pertinent electronic structures to demonstrate the power of the fundamentals to create systems integration relevant to foreseeable societal impacts in frequency-doubling instrumentation and spin-based electronics. Skyrmion ; Nanotechnology ; Electronics ; Nonlinear optical ; Personalization ; Materials science ; Field (mathematics) ; Computer science ; Engineering physics ; Nonlinear system ; Physics ; Electrical engineering ; Engineering ; Condensed matter physics Crystal Structures and Properties ; Advanced Condensed Matter Physics ; Magnetism in coordination complexes
Authors: Wafaa Atallah | Nihad AlFuraiji | Oday H Hussein
Source: Journal of Techniques (review, 2023-04-03)
Field: Materials Science — Biomaterials

Nanocomposites for Prosthetic Dental Technology: A Systemic Review In order to obtain the desired outcomes, nanotechnology employs approaches to control shape, size, and texture of elements in the necessary nano scale. It was previously used primarily in the areas of substance chemical productions and physics; however this has changed through the advancement of new technologies. Over time, biological scientists became aware of its numerous benefits and investigated them in their respective fields. To assess current knowledge about nanocomposites and their applications in prosthetic dental technology. On this topic, an electronic systematic review was conducted in various databases (Google Scholar research, Science Direct reports, PubMed studies, and Web of Science data), as well as a hand search of the scientific literature. From 2014 to 2022, published work was collected, analysed, and relevant articles were chosen for inclusion in this review. Nanocomposites and their applications in prosthetic dental technology have been reported in several studies. More than 36 papers were chosen for this review based on their applicability. The findings suggest that current knowledge was adequate to recommend nanocomposites and their applications in prosthetic dental technology for routine laboratory use, with improvements in each of the current nano materials and procedures for prosthetic dental technology. Because of their physical and chemical properties, polymer nanocomposites were suitable for prosthetic restorations; however, careful processing methods, nano materials, laboratory skill, and a strict protocol for prosthetic restoration are required to improve the mechanical and physical properties. Nanocomposite ; Protocol (science) ; Computer science ; Nanotechnology ; Scientific literature ; Web of science ; Inclusion (mineral) ; Dentistry ; Engineering ; MEDLINE ; Medicine ; Materials science ; Psychology ; Alternative medicine ; Chemistry Electrospun Nanofibers in Biomedical Applications ; Dental materials and restorations ; Scientific and Engineering Research Topics
Authors: Zhejian Cao | Xiaozhi Fu | Hao Li | Santosh Pandit | Francoise M. Amombo Noa | Lars Öhrström | Aleksej Zelezniak | Ivan Mijakovic̀
Source: ACS Sustainable Chemistry & Engineering (article, 2023-09-21)
Field: Chemistry — Inorganic Chemistry

Synthesis of Metal–Organic Frameworks through Enzymatically Recycled Polyethylene Terephthalate Polyethylene terephthalate (PET) as one of the most produced plastics contributes to global waste pollution. Upcycling PET into value-added products therefore is of environmental and economic interest. Terephthalic acid (TPA), the monomer of PET, is a common linker for metal–organic framework (MOF) synthesis; thus, PET-to-MOF upcycling raises much research attention. However, conventional PET-to-MOF upcycling often requires PET depolymerization with strong acids or bases and high temperatures, which can lead to environmental and energy penalties. As an alternative, PETase offers a sustainable approach to depolymerizing PET under mesophilic and mild pH conditions. Here we report UiO-66, MOF-5, and MIL-101 syntheses using enzymatically recycled TPA as linkers. The enzymatically recycled TPA demonstrated low impurity, and the obtained MOFs possessed comparable crystallinity, thermal stability, and surface area. These results reveal the feasibility of MOF synthesis by using enzymatically recycled PET. Terephthalic acid ; Polyethylene terephthalate ; Depolymerization ; Crystallinity ; Materials science ; Polyethylene ; Monomer ; Thermal stability ; Polyester ; Metal-organic framework ; Environmental pollution ; Organic chemistry ; Polymer ; Chemical engineering ; Polymer chemistry ; Chemistry ; Composite material ; Environmental science Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation Technologies ; Microplastics and Plastic Pollution
Authors: Francesco Frecentese | Federica Sodano | Angela Corvino | Marica Erminia Schiano | Elisa Magli | Stefania Albrizio | Rosa Sparaco | Giorgia Andreozzi | Maria Nieddu | Maria Grazia Rimoli
Source: International Journal of Molecular Sciences (review, 2023-06-27)
Field: Chemistry — Organic Chemistry

The Application of Microwaves, Ultrasounds, and Their Combination in the Synthesis of Nitrogen-Containing Bicyclic Heterocycles The use of alternative energy sources, such as microwaves (MW) or ultrasounds (US), and their mutual cross-combination have been widely described in the literature in the development of new synthetic methodologies in organic and medicinal chemistry. In this review, our attention is focused on representative examples, reported in the literature in the year range 2013–2023 of selected N-containing bicyclic heterocycles, with the aim to highlight the advantages of microwave- and ultrasound-assisted organic synthesis. Bicyclic molecule ; Microwave ; Organic synthesis ; Chemistry ; Nanotechnology ; Organic chemistry ; Biochemical engineering ; Combinatorial chemistry ; Materials science ; Computer science ; Engineering ; Telecommunications ; Catalysis Multicomponent Synthesis of Heterocycles ; Microwave-Assisted Synthesis and Applications ; Synthesis and biological activity
Authors: Agata Mlonka-Mędrala
Source: Energies (article, 2023-09-13)
Field: Chemistry — Inorganic Chemistry

Recent Findings on Fly Ash-Derived Zeolites Synthesis and Utilization According to the Circular Economy Concept The synthesis and utilization of zeolites derived from fly ash (FA) gained significant attention years ago due to their potential to address environmental challenges and promote sustainable practices subscribing to the circular economy concept. This paper highlights the recent findings regarding the synthesis and utilization of zeolites derived from FA. It begins with a discussion about the recent challenges regarding industrial waste management and statistics regarding its availability on the global market with a special insight into the situation in Poland. The characteristics of FA obtained from various fuels were presented and the main differences were highlighted. Then, different methods used for the synthesis of zeolites from FA were discussed in small and pilot scales taking into consideration the main challenges and problems. The analytical methods used in porous materials synthesis verification and properties determination were described. The sorption properties of FA-derived zeolites were presented and discussed. Finally, the paper emphasizes the potential applications of fly ash-derived zeolites in different fields. Their importance as sustainable alternatives to conventional materials in industry, construction, agriculture, power, medicine, and other industrial sectors was analyzed. Fly ash ; Circular economy ; Agriculture ; Sorption ; Waste management ; Environmental science ; Engineering ; Environmental economics ; Business ; Economics ; Chemistry Zeolite Catalysis and Synthesis ; Adsorption and biosorption for pollutant removal ; Thermochemical Biomass Conversion Processes
Authors: Soroush Aghaeian | F. Nourouzi | Willem G. Sloof | J.M.C. Mol | A. Böttger
Source: Corrosion Science (article, 2023-06-09)
Field: Materials Science — Metals and Alloys

Predicting the parabolic growth rate constant for high-temperature oxidation of steels using machine learning models The parabolic growth rate constant (kp) of high-temperature oxidation of steels is predicted via a data analytics approach. Four machine learning models including Artificial Neural Networks, Random Forest, k-Nearest Neighbors, and Support Vector Regression are trained to establish the relations between the input features (composition and temperature) and the target value (kp). The models are evaluated by the indices: Mean Absolute Error, Mean Squared Error, Root Mean Squared Error and Coefficient of Determination. The steel composition regarding Cr and Ni content and the temperature were the most significant input features controlling the oxidation kinetics. Support vector machine ; Mean squared error ; Constant (computer programming) ; Random forest ; Artificial neural network ; Regression ; Coefficient of determination ; Mean absolute error ; Root mean square ; Composition (language) ; Regression analysis ; Correlation coefficient ; Mathematics ; Materials science ; Artificial intelligence ; Statistics ; Computer science ; Engineering Hydrogen embrittlement and corrosion behaviors in metals ; Metallurgical Processes and Thermodynamics ; High-Temperature Coating Behaviors
Authors: Mahdiyeh Ghaffari | Mickey C. J. Lukkien | Nematollah Omidikia | Gerjen H. Tinnevelt | Marcel C. P. van Eijk | Stanislav Podchezertsev | Jeroen J. Jansen
Source: Scientific Reports (article, 2023-12-07)
Field: Chemistry — Analytical Chemistry

Systematic reduction of hyperspectral images for high-throughput plastic characterization Hyperspectral Imaging (HSI) combines microscopy and spectroscopy to assess the spatial distribution of spectroscopically active compounds in objects, and has diverse applications in food quality control, pharmaceutical processes, and waste sorting. However, due to the large size of HSI datasets, it can be challenging to analyze and store them within a reasonable digital infrastructure, especially in waste sorting where speed and data storage resources are limited. Additionally, as with most spectroscopic data, there is significant redundancy, making pixel and variable selection crucial for retaining chemical information. Recent high-tech developments in chemometrics enable automated and evidence-based data reduction, which can substantially enhance the speed and performance of Non-Negative Matrix Factorization (NMF), a widely used algorithm for chemical resolution of HSI data. By recovering the pure contribution maps and spectral profiles of distributed compounds, NMF can provide evidence-based sorting decisions for efficient waste management. To improve the quality and efficiency of data analysis on hyperspectral imaging (HSI) data, we apply a convex-hull method to select essential pixels and wavelengths and remove uninformative and redundant information. This process minimizes computational strain and effectively eliminates highly mixed pixels. By reducing data redundancy, data investigation and analysis become more straightforward, as demonstrated in both simulated and real HSI data for plastic sorting. Hyperspectral imaging ; Computer science ; Redundancy (engineering) ; Pixel ; Sorting ; Data redundancy ; Data quality ; Chemometrics ; Data mining ; Reduction (mathematics) ; Endmember ; Non-negative matrix factorization ; Dimensionality reduction ; Data reduction ; Artificial intelligence ; Pattern recognition (psychology) ; Matrix decomposition ; Machine learning ; Algorithm ; Mathematics Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Remote-Sensing Image Classification
Authors: Jiahao Yu | Yongman Zhao | Rongshun Pan | Xue Zhou | Zikai Wei
Source: ACS Omega (article, 2023-01-13)
Field: Materials Science — Materials Chemistry

Prediction of the Critical Temperature of Superconductors Based on Two-Layer Feature Selection and the Optuna-Stacking Ensemble Learning Model The study of superconductors' critical temperature (<i>T</i> <sub>c</sub>) has been a matter of interest. A method combining a two-layer feature selection (TL) and Optuna-Stacking ensemble learning model is proposed in the study for predicting <i>T</i> <sub>c</sub> from physicochemical components. Since most machine-learning models require a large amount of prior knowledge to construct the feature vectors associated with <i>T</i> <sub>c</sub> manually, they may contain redundant or invalid features that adversely affect the analysis and prediction of <i>T</i> <sub>c</sub>. The TL model combines the advantages of filtered and packed feature selection. In the first layer, feature importance is ranked by "SHapley Additive explain (SHAP)" in combination with CatBoost, followed by maximum mutual information coefficient (MIC) and distance correlation coefficient (DCC) for initial feature selection in terms of feature importance ranking. The second layer uses a cross-validation-based genetic algorithm (cv-GA) to eliminate the remaining redundant/invalid features. The selected features are fed into the Stacking integrated learning model to achieve prediction of Tc, and the multidimensional hyperparametric optimization of the metamodel is achieved by Optuna, an improved Bayesian hyperparametric optimization framework based on the Tree-structured Parzen Estimator (TPE) and pruning strategy. The model has obvious advantages and generality in terms of prediction performance and feature reduction rate, and it also proves to be suitable for high-temperature superconductor <i>T</i> <sub>c</sub> prediction. It provides an efficient and cost-effective method for data-driven superconductor research. Feature selection ; Feature (linguistics) ; Artificial intelligence ; Computer science ; Ensemble learning ; Machine learning ; Matthews correlation coefficient ; Ranking (information retrieval) ; Stacking ; Algorithm ; Data mining ; Pattern recognition (psychology) ; Support vector machine ; Chemistry Machine Learning in Materials Science ; Corrosion Behavior and Inhibition ; X-ray Diffraction in Crystallography
Authors: Zhao‐Fan Wu | Zhao‐Nan Sun | Huan‐Ming Xiong
Source: Chinese Journal of Chemistry (article, 2023-03-23)
Field: Materials Science — Biomaterials

Fluorescent Silk Obtained by Feeding Silkworms with Fluorescent Materials<sup>†</sup> Comprehensive Summary Fluorescent silk has potential application in many fields such as bioimaging, tissue engineering scaffolds, luminescent marks, and dazzling fabrics. Among the methods to endow natural silk with fluorescent properties, feeding silkworms with fluorescent additives is facile, low‐cost and environment friendly, which has the prospect of large‐scale production. In this paper, we reviewed the research progress for this aim in the past ten years, and summarized the unified characteristics for the substances that can enter the silk gland by digestive tract of silkworms. The advantages and disadvantages of various fluorescent materials for this application are compared in detail. And the future research directions are suggested to overcome the shortcomings of the present research. SILK ; Fluorescence ; Nanotechnology ; Chemistry ; Polymer science ; Biochemical engineering ; Materials science ; Engineering ; Composite material ; Optics Silk-based biomaterials and applications ; melanin and skin pigmentation ; Pineapple and bromelain studies
Authors: Yinlong Hou | Kai Ren | Yu Wei | Dan Yang | Zhen Cui | Ke Wang
Source: Molecules (article, 2023-05-18)
Field: Materials Science — Materials Chemistry

Opening a Band Gap in Biphenylene Monolayer via Strain: A First-Principles Study A biphenylene network is a novel 2D allotropy of carbon with periodic 4-6-8 rings, which was synthesized successfully in 2021. In recent years, although the mechanical properties and thermal transport received a lot of research attention, how to open the Dirac cone in the band structure of a biphenylene network is still a confused question. In this work, we utilized uniaxial and biaxial lattice strains to manipulate the electronic properties and phonon frequencies of biphenylene, and we found an indirect band gap under 10% biaxial strain through the first-principles calculations. This indirect band gap is caused by the competition between the band-edge state A and the Dirac cone for the conduction band minimum (CBM). Additionally, the lightest carrier's effective mass in biphenylene is 0.184 <i>m</i><sub>0</sub> for electrons along x (Γ→X) direction, while the effective mass for holes shows a remarkable anisotropy, suggesting the holes in the tensile biphenylene monolayer are confined within a one-dimensional chain along x direction. For phonon dispersion, we discovered that the Raman-active Ag3 phonon mode shows a robust single phonon mode character under both compressive and tensile strain, but its frequency is sensitive to lattice strain, suggesting the lattice strain in biphenylene can be identified by Raman spectroscopy. Biphenylene ; Raman spectroscopy ; Condensed matter physics ; Phonon ; Materials science ; Strain engineering ; Band gap ; Monolayer ; Electronic band structure ; Direct and indirect band gaps ; Effective mass (spring–mass system) ; Nanotechnology ; Physics ; Optics ; Composite material Graphene research and applications ; Thermal properties of materials ; 2D Materials and Applications