jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Hao‐Wen Cheng
Source: AI (article, 2023-05-04)
Field: Materials Science — Materials Chemistry

Challenges and Limitations of ChatGPT and Artificial Intelligence for Scientific Research: A Perspective from Organic Materials Artificial Intelligence (AI) has emerged as a transformative technology in the scientific community with the potential to accelerate and enhance research in various fields. ChatGPT, a popular language model, is one such AI-based system that is increasingly being discussed and being adapted in scientific research. However, as with any technology, there are challenges and limitations that need to be addressed. This paper focuses on the challenges and limitations that ChatGPT faces in the domain of organic materials research. This paper will take organic materials as examples in the use of ChatGPT. Overall, this paper aims to provide insights into the challenges and limitations of researchers working in the field of organic materials. Perspective (graphical) ; Transformative learning ; Field (mathematics) ; Computer science ; Engineering ethics ; Domain (mathematical analysis) ; Management science ; Data science ; Artificial intelligence ; Engineering ; Sociology Machine Learning in Materials Science ; Ferroelectric and Negative Capacitance Devices ; Organic Electronics and Photovoltaics
Authors: Yongsheng Hong | Songchao Chen | Bifeng Hu | Nan Wang | Jie Xue | Zhiqing Zhuo | Yuanyuan Yang | Yiyun Chen | Jie Peng | Yaolin Liu | Abdul Mounem Mouazen | Zhou Shi
Source: Geoderma (article, 2023-06-29)
Field: Chemistry — Analytical Chemistry

Spectral fusion modeling for soil organic carbon by a parallel input-convolutional neural network Visible-to-near-infrared (vis–NIR) and mid-infrared (MIR) spectroscopy have been widely utilized for the quantitative estimation of soil organic carbon (SOC). The fusion of vis–NIR and MIR data can be hypothesized to provide accurate and reliable prediction for SOC because spectral data within a specific range of each individual sensor may lack important absorptive features associated with SOC. In this study, six data fusion strategies, principally direct concatenation-partial least squares regression (DC-PLSR), outer product analysis-PLSR (OPA-PLSR), OPA-competitive adaptive reweighted sampling-PLSR (OPA-CARS-PLSR), sequentially orthogonalized-PLSR (SO-PLSR), DC-convolutional neural network (DC-CNN), and parallel input-CNN (PI-CNN), were compared for the spectral estimations of SOC. The data fusion and individual sensor models were developed using soil samples collected from Zhejiang Province, East China, and scanned under laboratory conditions with both vis–NIR and MIR spectrophotometers. The validation results of vis–NIR (validation coefficient of determination [R2] = 0.63–0.73) were generally better than those of MIR (validation R2 = 0.45–0.59). For data fusion, the best validation accuracy was achieved by the PI-CNN (validation R2 = 0.84), followed in descending order by DC-CNN (validation R2 = 0.78), SO-PLSR (validation R2 = 0.73), OPA-CARS-PLSR (validation R2 = 0.69), OPA-PLSR (validation R2 = 0.66), and DC-PLSR (validation R2 = 0.64). The better performance of PI-CNN over DC-CNN demonstrates the necessity of using different sizes of convolutional kernels before feeding into the fully connected layers in the CNN network for fusing vis–NIR and MIR spectral data. The deep-learning fusion method based on PI-CNN can be considered an efficient tool for integrating data from multiple sensors for estimating soil properties in the field of soil spectral modeling. Partial least squares regression ; Convolutional neural network ; Near-infrared spectroscopy ; Pattern recognition (psychology) ; Artificial intelligence ; Sensor fusion ; Concatenation (mathematics) ; Computer science ; Fusion ; Remote sensing ; Mathematics ; Statistics ; Physics Spectroscopy and Chemometric Analyses ; Geochemistry and Geologic Mapping ; Soil Geostatistics and Mapping
Authors: Xiujuan Zou | Ruoyu Lin | Yunlai Fu | Guangxing Gong | Xuxi Zhou | Shuming Wang | Shining Zhu | Zhenlin Wang
Source: Advanced Optical Materials (article, 2023-06-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advanced Optical Imaging Based on Metasurfaces Abstract Recently, metasurfaces have arisen as next‐generation optics with various merits, such as being ultrathin and lightweight with multi‐function integration. Numerous applications of metasurfaces have been demonstrated up to now, including wavefront shaping, optical imaging, hologram display, structured light generation, polarization detection, and so on. Among them, optical imaging components and techniques have been substantially promoted with the advent of metasurfaces due to their superior spatial modulation properties over electromagnetic waves. Here, the forward and reverse design approaches of metasurface and recent advances in various imaging applications based on them are reviewed. Due to the ability of arbitrary wavefront encoding, metasurfaces have been widely applied to numerous imaging applications, including diffraction‐limited imaging with aberration correction, polarization‐related imaging, high‐resolution spectral imaging, three‐dimentional (3D) imaging, and even algorithm‐assisted imaging, etc. Optical imaging applications combined with novel metasurfaces can make breakthroughs with the development of nanofabrication technologies and the improvement of computer algorithms. Wavefront ; Holography ; Optics ; Polarization (electrochemistry) ; Imaging science ; Medical imaging ; Computer science ; Spectral imaging ; Optical imaging ; Materials science ; Physics ; Computer vision ; Artificial intelligence Metamaterials and Metasurfaces Applications ; Random lasers and scattering media ; Advanced Optical Imaging Technologies
Authors: James Dolgin | Samerender Nagam Hanumantharao | Stephen L. Farias | Carl G. Simon | Smitha Rao
Source: Fibers (article, 2023-04-29)
Field: Materials Science — Biomaterials

Mechanical Properties and Morphological Alterations in Fiber-Based Scaffolds Affecting Tissue Engineering Outcomes Electrospinning is a versatile tool used to produce highly customizable nonwoven nanofiber mats of various fiber diameters, pore sizes, and alignment. It is possible to create electrospun mats from synthetic polymers, biobased polymers, and combinations thereof. The post-processing of the end products can occur in many ways, such as cross-linking, enzyme linking, and thermal curing, to achieve enhanced chemical and physical properties. Such multi-factor tunability is very promising in applications such as tissue engineering, 3D organs/organoids, and cell differentiation. While the established methods involve the use of soluble small molecules, growth factors, stereolithography, and micro-patterning, electrospinning involves an inexpensive, labor un-intensive, and highly scalable approach to using environmental cues, to promote and guide cell proliferation, migration, and differentiation. By influencing cell morphology, mechanosensing, and intracellular communication, nanofibers can affect the fate of cells in a multitude of ways. Ultimately, nanofibers may have the potential to precisely form whole organs for tissue engineering, regenerative medicine, and cellular agriculture, as well as to create in vitro microenvironments. In this review, the focus will be on the mechanical and physical characteristics such as porosity, fiber diameter, crystallinity, mechanical strength, alignment, and topography of the nanofiber scaffolds, and the impact on cell proliferation, migration, and differentiation. Tissue engineering ; Nanofiber ; Materials science ; Electrospinning ; Nanotechnology ; Regenerative medicine ; Fiber ; Interconnectivity ; Scaffold ; Polymer ; Stem cell ; Biomedical engineering ; Composite material ; Cell biology ; Computer science Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials ; Tissue Engineering and Regenerative Medicine
Authors: Ibrahim Dubdub
Source: Materials (article, 2023-01-06)
Field: Materials Science — Materials Chemistry

Kinetics Study of Polypropylene Pyrolysis by Non-Isothermal Thermogravimetric Analysis Polypropylene (PP) is considered as one of six polymers representative of plastic wastes. This paper attempts to obtain information on PP polymer pyrolysis kinetics with the help of thermogravimetric analysis (TGA). TGA is used to measure the weight of the sample with temperature increases at different heating rates-5, 10, 20, 30, and 40 K min<sup>-1</sup>-in inert nitrogen. The pyrolytic kinetics have been analyzed by four model-free methods-Friedman (FR), Flynn-Wall-Qzawa (FWO), Kissinger-Akahira-Sunose (KAS) and Starnik (STK)-and by two model-fitting methods-Coats-Redfern (CR) and Criado methods. The values of activation energies of PP polymer pyrolysis at different conversions are in good agreement with the average of (141, 112, 106, 108 kJ mol<sup>-1</sup>) for FR, FWO, KAS and STK, respectively. Criado methods have been implemented with the CR method to obtain the reaction mechanism model. As per Criado's method, the most controlling reaction mechanism has been identified as the geometrical contraction models-cylinder model. Thermogravimetric analysis ; Pyrolysis ; Polypropylene ; Kinetics ; Materials science ; Pyrolytic carbon ; Isothermal process ; Polymer ; Activation energy ; Polymer chemistry ; Thermodynamics ; Physical chemistry ; Composite material ; Chemistry ; Organic chemistry ; Physics Thermal and Kinetic Analysis ; Polymer crystallization and properties ; Thermochemical Biomass Conversion Processes
Authors: Tian Xia | Feng Zhou | Donghui Zhang | Xue Jin | Hengxue Shi | Hang Yin | Yanqing Gong | Yu Xia
Source: Nature Communications (article, 2023-07-17)
Field: Chemistry — Spectroscopy

Deep-profiling of phospholipidome via rapid orthogonal separations and isomer-resolved mass spectrometry A lipidome comprises thousands of lipid species, many of which are isomers and isobars. Liquid chromatography-tandem mass spectrometry (LC-MS/MS), although widely used for lipidomic profiling, faces challenges in differentiating lipid isomers. Herein, we address this issue by leveraging the orthogonal separation capabilities of hydrophilic interaction liquid chromatography (HILIC) and trapped ion mobility spectrometry (TIMS). We further integrate isomer-resolved MS/MS methods onto HILIC-TIMS, which enable pinpointing double bond locations in phospholipids and sn-positions in phosphatidylcholine. This system profiles phospholipids at multiple structural levels with short analysis time (<10 min per LC run), high sensitivity (nM detection limit), and wide coverage, while data analysis is streamlined using a home-developed software, LipidNovelist. Notably, compared to our previous report, the system doubles the coverage of phospholipids in bovine liver and reveals uncanonical desaturation pathways in RAW 264.7 macrophages. Relative quantitation of the double bond location isomers of phospholipids and the sn-position isomers of phosphatidylcholine enables the phenotyping of human bladder cancer tissue relative to normal control, which would be otherwise indistinguishable by traditional profiling methods. Our research offers a comprehensive solution for lipidomic profiling and highlights the critical role of isomer analysis in studying lipid metabolism in both healthy and diseased states. Lipidome ; Lipidomics ; Chemistry ; Mass spectrometry ; Phosphatidylcholine ; Hydrophilic interaction chromatography ; Chromatography ; Liquid chromatography–mass spectrometry ; Tandem mass spectrometry ; Ion-mobility spectrometry ; Structural isomer ; Profiling (computer programming) ; Phospholipid ; High-performance liquid chromatography ; Biochemistry ; Stereochemistry ; Computer science Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Analytical Chemistry and Chromatography
Authors: Shenmao Lin | Geyang Zhang | Qinglin Lai | Jun Fu | Wenguang Zhu | Hualing Zeng
Source: Advanced Functional Materials (article, 2023-06-20)
Field: Materials Science — Materials Chemistry

Recent Advances in Layered Two‐Dimensional Ferroelectrics from Material to Device Abstract With the advent of the post Moore era, modern electronics require further device miniaturization of all electronic components, particularly ferroelectric memories, due to the need for massive data storage. This demand stimulates the exploration of robust switchable ferroelectric polarizations at the atomic scale. In this scenario, van der Waals ferroelectrics have recently gained increasing attention because of their stable layered structure at nanometer thickness, offering the opportunity to realize two‐dimensional ferroelectricity that is long‐sought in conventional thin film ferroelectrics. In this review, recent advancements are summarized in layered ferroelectrics with highlights of the fundamentals of intrinsic two‐dimensional ferroelectricity, the emergence of artificial stacking ferroelectricity, and related protype devices with exotic functions. In addition, the unique polarization control in van der Waals ferroelectrics is discussed. Although great challenges remain unsolved, these studies undoubtedly advance the integration of 2D ferroelectrics in electronics. Ferroelectricity ; Materials science ; van der Waals force ; Nanotechnology ; Miniaturization ; Electronics ; Polarization (electrochemistry) ; Nanometre ; Engineering physics ; Stacking ; Optoelectronics ; Electrical engineering ; Physics ; Engineering ; Dielectric ; Chemistry Ferroelectric and Piezoelectric Materials ; Ferroelectric and Negative Capacitance Devices ; Multiferroics and related materials
Authors: Hyo In Yoon | Hyein Lee | Jung‐Seok Yang | Jae-Hyeong Choi | Dae-Hyun Jung | Yun Ji Park | Jai-Eok Park | Sang Min Kim | Soo Hyun Park
Source: Agriculture (article, 2023-07-26)
Field: Chemistry — Analytical Chemistry

Predicting Models for Plant Metabolites Based on PLSR, AdaBoost, XGBoost, and LightGBM Algorithms Using Hyperspectral Imaging of Brassica juncea The integration of hyperspectral imaging with machine learning algorithms has presented a promising strategy for the non-invasive and rapid detection of plant metabolites. For this study, we developed prediction models using partial least squares regression (PLSR) and boosting algo-rithms (such as AdaBoost, XGBoost, and LightGBM) for five metabolites in Brassica juncea leaves: total chlorophyll, phenolics, flavonoids, glucosinolates, and anthocyanins. To enhance the model performance, we employed several spectral data preprocessing methods and feature-selection al-gorithms. Our results showed that the boosting algorithms generally outperformed the PLSR models in terms of prediction accuracy. In particular, the LightGBM model for chlorophyll and the AdaBoost model for flavonoids improved the prediction performance, with R2p = 0.71–0.74, com-pared to the PLSR models (R2p = 0.53–0.58). The final models for the glucosinolates and anthocya-nins performed sufficiently for practical uses such as screening, with R2p = 0.82–0.85 and RPD = 2.4–2.6. Our findings indicate that the application of a single preprocessing method is more effective than utilizing multiple techniques. Additionally, the boosting algorithms with feature selection ex-hibited superior performance compared to the PLSR models in the majority of cases. These results highlight the potential of hyperspectral imaging and machine learning algorithms for the non-destructive and rapid detection of plant metabolites, which could have significant implications for the field of smart agriculture. Hyperspectral imaging ; Partial least squares regression ; AdaBoost ; Boosting (machine learning) ; Artificial intelligence ; Feature selection ; Preprocessor ; Pattern recognition (psychology) ; Machine learning ; Computer science ; Algorithm ; Mathematics ; Support vector machine Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Remote Sensing in Agriculture
Authors: Lisa Claeys | Liesbet Deconinck | Kim Verbeken | Tom Depover
Source: International Journal of Hydrogen Energy (article, 2023-06-17)
Field: Materials Science — Metals and Alloys

Effect of additive manufacturing and subsequent heat and/or surface treatment on the hydrogen embrittlement sensitivity of 316L austenitic stainless steel Materials science ; Hydrogen ; Hydrogen embrittlement ; Thermal diffusivity ; Metallurgy ; Austenite ; Embrittlement ; Solubility ; Oxide ; Surface roughness ; Microstructure ; Hydrogen production ; Composite material ; Thermodynamics ; Corrosion ; Chemistry Hydrogen embrittlement and corrosion behaviors in metals ; Additive Manufacturing Materials and Processes ; Welding Techniques and Residual Stresses
Authors: Bingqing Zhang | Qiang Li | Qinglin Xu | Baochao Li | Heng Dong | Yongbin Mou
Source: International Journal of Nanomedicine (article, 2023-08-01)
Field: Materials Science — Materials Chemistry

Polydopamine Modified Ceria Nanorods Alleviate Inflammation in Colitis by Scavenging ROS and Regulating Macrophage M2 Polarization The nanoplatform CeO<sub>2</sub>@PP possessed excellent antioxidant and anti-inflammatory properties for scavenging ROS and modulating macrophage polarization, which is beneficial for efficient colitis therapy. Nanorod ; Inflammation ; Macrophage polarization ; Materials science ; Colitis ; Macrophage ; Scavenging ; Nanotechnology ; Polarization (electrochemistry) ; Immunology ; Chemistry ; Medicine ; Biochemistry ; In vitro ; Antioxidant Advanced Nanomaterials in Catalysis ; Nanoparticles: synthesis and applications ; Nanocluster Synthesis and Applications
Authors: Vadim G. Kessler | Gulaim A. Seisenbaeva
Source: Journal of Sol-Gel Science and Technology (article, 2023-05-10)
Field: Materials Science — Materials Chemistry

Molecular mechanisms of the metal oxide sol-gel process and their application in approaches to thermodynamically challenging complex oxide materials Abstract This review presents a brief overview of recent insights into general reaction pathways in sol-gel synthesis of metal oxides. Metal-based sol-gel precursors display kinetically unhindered reactivity, combining high reaction speed with reversibility on a molecular level. The process producing metal oxide sols can thus be described as nucleation of an oxide phase with growth option efficiently precluded by extremely low solubility. The emerging nuclei are essentially Polyoxometalate (POM) species, with sizes in the colloid range starting from about 2 nm. They are stabilized in solution by colloid forces (charge interactions, hydrogen bonding, van der Waals forces), defined by the nature and arrangement of species on their surface, which permits them to be denoted as Micelles Templated by Self-Assembly of Ligands (MTSALs). The sol-gel transition occurs on aggregation of particles resulting in percolation. Exploiting this mechanism, it is possible to produce materials with controlled porosity, biocompatibility, and even to access thermodynamically challenging phases that cannot be produced by conventional synthetic techniques. Graphical Abstract Oxide ; Nucleation ; van der Waals force ; Colloid ; Materials science ; Sol-gel ; Chemical engineering ; Micelle ; Porosity ; Percolation (cognitive psychology) ; Nanotechnology ; Metal ; Polyoxometalate ; Chemistry ; Chemical physics ; Aqueous solution ; Catalysis ; Molecule ; Physical chemistry ; Organic chemistry ; Composite material Polyoxometalates: Synthesis and Applications ; Catalytic Processes in Materials Science ; Mesoporous Materials and Catalysis
Authors: Simon Kolb | Daniel B. Werz
Source: Chemistry - A European Journal (article, 2023-03-27)
Field: Chemistry — Organic Chemistry

Site‐selective Hydrogenation/Deuteration of Benzylic Olefins Enabled by Electroreduction Using Water We describe an operationally simple and user-friendly protocol that allows the site-selective hydrogenation and deuteration of di-, tri- and tetrasubstituted benzylic olefins by electroreduction while other groups prone to hydrogenation are present. The radical anionic intermediates react with the most inexpensive hydrogen/deuterium source H<sub>2</sub> O/D<sub>2</sub> O. Our method overcomes many limitations that arise from previously reported electroreductive hydrogenations. The applicability of this reaction is demonstrated by a broad substrate scope (>50 examples) that focuses on functional group tolerance and sites that are affected by metal-catalyzed hydrogenation (alkenes, alkynes, protecting groups). Chemistry ; Substrate (aquarium) ; Deuterium ; Catalysis ; Combinatorial chemistry ; Hydrogen ; Metal ; Functional group ; Organic chemistry Radical Photochemical Reactions ; Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods
Authors: Yuqing Liang | Hao Jian | Chao Deng | Junxian Xu | Yang Liu | Heejun Park | Mingyu Wen | Sun YaoXing
Source: Polymers (review, 2023-02-15)
Field: Materials Science — Polymers and Plastics

Research and Application of Biomass-Based Wood Flame Retardants: A Review Wood is widely used as a construction material due to its many advantages, such as good mechanical properties, low production costs, and renewability. However, its flammability limits its use in construction. To solve the problem of wood flammability, the most common method to improve the fire safety of wood is to modify the wood by deep impregnation or surface coating with flame retardants. Therefore, many researchers have found that environmentally friendly and low-cost biomass materials can be used as a source of green flame retardants. Two aspects of biomass-based intumescent flame retardants are summarized in this paper. On the one hand, biomass is used as one of the three sources or as a flame-retardant synergist in combination with other flame retardants, which are called composite biomass intumescent flame retardants. On the other hand, biomass is used alone as a feedstock to produce all-biomass intumescent flame retardants. In addition, the potential of biomass-based materials as an environmentally friendly and low-cost FR source to produce high-performance biomass-based flame retardants with improved technology was also discussed in detail. The development of biomass-based intumescent flame retardants represents a viable and promising approach for the efficient and environmentally friendly production of biomass-based flame retardants. Fire retardant ; Flammability ; Biomass (ecology) ; Intumescent ; Environmentally friendly ; Raw material ; Environmental science ; Materials science ; Waste management ; Pulp and paper industry ; Composite material ; Engineering ; Chemistry ; Organic chemistry Flame retardant materials and properties ; Fire dynamics and safety research ; Lignin and Wood Chemistry