jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ling Zhu | Qi Liu | Yuqian Zhang | Hui Sun | Shuai Chen | Lishan Liang | Siying An | Xiaomei Yang | Ling Zang
Source: Molecules (review, 2025-01-04)
Field: Materials Science — Polymers and Plastics

Recent Advances in the Tunable Optoelectromagnetic Properties of PEDOTs Conducting polymers represent a crucial class of functional materials with widespread applications in diverse fields. Among these, poly(3,4-ethylenedioxythiophene) (PEDOT) and its derivatives have garnered significant attention due to their distinctive optical, electronic, and magnetic properties, as well as their exceptional tunability. These properties often exhibit intricate interdependencies, manifesting as synergistic, concomitant, or antagonistic relationships. In optics, PEDOTs are renowned for their high transparency and unique photoelectric responses. From an electrical perspective, they display exceptional conductivity, thermoelectric, and piezoelectric performance, along with notable electrochemical activity and stability, enabling a wide array of electronic applications. In terms of magnetic properties, PEDOTs demonstrate outstanding electromagnetic shielding efficiency and microwave absorption capabilities. Moreover, these properties can be precisely tailored through molecular structure modifications, chemical doping, and composite formation to suit various application requirements. This review systematically examines the mechanisms underlying the optoelectromagnetic properties of PEDOTs, highlights their tunability, and outlines prospective research directions. By providing critical theoretical insights and technical references, this review aims to advance the application landscape of PEDOTs. Transparency (behavior) ; Materials science ; Nanotechnology ; PEDOT:PSS ; Optical transparency ; Doping ; Conductive polymer ; Engineering physics ; Computer science ; Optoelectronics ; Polymer ; Physics Conducting polymers and applications ; Electromagnetic wave absorption materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Fang Yang | Juan Li | Tianxiang Chen | Wenzhi Ren | Changyong Gao | Jie Lin | Xu Chen | Xuehua Ma | Jie Xing | Hongying Bao | Bo Jiang | Lingchao Xiang | Aiguo Wu
Source: Fundamental Research (review, 2025-01-02)
Field: Materials Science — Biomaterials

Applications of magnetic nanoparticles for boundarics in biomedicine Accurate mapping of boundarics in biomedicine is crucial for improving early diagnosis, crafting individualized medical regimens, and evaluating therapeutic efficacy. Magnetic nanomaterials have attracted considerable attention in the diagnosis and treatment of disease lesions, due to their unique physicochemical properties (e.g., magnetically responsive performance and superparamagnetism). In recent years, the application of magnetic nanoparticles in disease imaging has advanced rapidly, showing significant advantages in the detection of tumors and other major diseases. Leveraging their strong magnetic properties, magnetic nanoparticles not only enable high-precision real-time detection of lesions but also possess potential for long-term monitoring. In this article, key aspects of magnetic nanomaterials applied for boundarics in biomedicine are discussed, including controllable material preparation, material performance optimization, and lesion boundary imaging. Furthermore, the prevailing strategies for magnetic nanomaterials and their successful implementation in multimodal imaging techniques are summarized, with particular emphasis on their significance in defining the boundaries of tumors and other major diseases. Ultimately, the challenges that persist in boundarics in biomedicine and the corresponding approaches are presented, providing insights to advance boundary imaging techniques. Biomedicine ; Nanotechnology ; Magnetic nanoparticles ; Nanoparticle ; Materials science ; Biology ; Bioinformatics Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Magnetic Properties and Synthesis of Ferrites
Authors: Pan Gao | Yi Ji | Guangjin Hou
Source: Journal of the American Chemical Society (review, 2025-01-14)
Field: Chemistry — Spectroscopy

Solid-State Nuclear Magnetic Resonance Spectroscopy for Surface Characterization of Metal Oxide Nanoparticles: State of the Art and Perspectives Metal oxide materials have found wide applications across diverse fields; in most cases, their functionalities are dictated by their surface structures and properties. A comprehensive understanding of the intricate surface features is critical for their further design, optimization, and applications, necessitating multi-faceted characterizations. Recent advances in solid-state nuclear magnetic resonance (ssNMR) spectroscopy have significantly extended its applications in the detailed analysis of multiple metal oxide nanoparticles, offering unparalleled atomic-level information on the surface structures, properties, and chemistries. Herein, we present an overview of the current state of the art from an NMR perspective. We begin with a brief introduction to contemporary ssNMR methodologies. Subsequently, we introduce and provide critical reviews on the applications of different ssNMR techniques in the detailed characterizations of the surface local structures, disorders, defects, active sites, and acidity on metal oxide nanoparticles, as well as the revelation of mechanisms behind some intriguing chemistries that occur on the surfaces, referencing representative recent studies. Finally, we address the challenges beyond the current status and provide perspectives on the future development and application of advanced ssNMR methodologies in this emerging field. Nanotechnology ; Characterization (materials science) ; Chemistry ; Nanoparticle ; Oxide ; Solid-state nuclear magnetic resonance ; Materials science ; Nuclear magnetic resonance ; Physics ; Organic chemistry Advanced NMR Techniques and Applications ; Advanced MRI Techniques and Applications ; NMR spectroscopy and applications
Authors: Emil I. Jaffal | Sangjoon Lee | Danila Shiryaev | Alex Vtorov | Nikhil K. Barua | Holger Kleinke | Anton O. Oliynyk
Source: Digital Discovery (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Composition and structure analyzer/featurizer for explainable machine-learning models to predict solid state structures User-friendly and accessible featurizers generate features from CIFs in a high-throughput way to create simple and explainable machine-learning models. Spectrum analyzer ; Computer science ; Solid-state ; Artificial intelligence ; Machine learning ; Chemistry ; Physical chemistry Machine Learning in Materials Science
Authors: Qi Yang | Jiawei Zhang | Yang Tang | Yan Jun Ju | Xuejiao J. Gao | Chaoyang Chu | Huimin Jia | Weiwei He
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Multi-site orbital coupling in Ru-based high-entropy alloy-enabled hydroxyl spillover for enhanced peroxidase-like activity Peroxidase (POD)-like nanozymes are attracting increasing attention in anti-tumor, antibacterial, disease diagnosis, and environmental applications. However, simultaneously improving the POD-like activity and stability of nanozymes remains a non-trivial challenge. Inspired by the excellent stability and multiple active sites of high-entropy alloys, we design a Ru-based (RuPtIrRhCu) high-entropy alloy nanozyme (HEAzyme) with improved catalytic activity and stability. Benefiting from the strong adsorption capacity of Ru toward hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>)/hydroxyl (OH) and the collaborative effect induced by the multiple elements, an interesting "hydroxyl spillover" route is triggered on the RuPtIrRhCu HEAzymes. The efficient dissociated adsorption of H<sub>2</sub>O<sub>2</sub> and fast transfer of adsorbed hydroxyl (*OH, * denotes the adsorbed state) is achieved, resulting in boosted POD-like activity. The POD-like activity of the HEAzyme remained unchanged for 6 months, exhibiting outstanding stability. A multi-channel colorimetric sensor array was developed to specifically identify eight biological antioxidants, especially for the chiral recognition of l-cysteine (l-Cys) and d-cysteine (d-Cys). This study not only provides an effective, multi-site collaborative mechanism for improving POD-like activity and stability but also extends the horizons and perspectives in nanozymes. Schematic ; Spillover effect ; Coupling (piping) ; Chemistry ; Alloy ; Peroxidase ; Materials science ; Engineering ; Metallurgy ; Organic chemistry ; Enzyme ; Electronic engineering Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Electrocatalysts for Energy Conversion
Authors: Lei Yang | Yan Xiao | Xiaolin Chen | Wentao Zhang | Xue Yang | Yang Hu | De Fang
Source: Catalysts (article, 2025-04-24)
Field: Chemistry — Inorganic Chemistry

Research Progress on CO2 Capture and Catalytic Conversion of Metal-Organic Frameworks Materials The increase in CO2 emissions has been identified as a core driving factor in the intensification of the greenhouse effect. In order to achieve the dual-carbon vision, research on CO2 capture and its catalytic conversion is receiving growing attention. Due to the high chemical stability of CO2 itself, traditional separation technologies find it difficult to capture it onto catalysts. Currently, using hydrocarbons as carriers for catalytic reactions is the most common and efficient method. In recent years, metal-organic frameworks (MOFs) have shown their irreplaceable importance in CO2 capture and catalytic conversion due to their unique adjustable and controllable pore structures and multiple active sites. This study integrates various classification criteria of MOFs, proposes a cooperative mechanism between metal doping and functional groups, and also reveals the CO2 capture and catalytic conversion processes. In addition, we have conducted an in-depth discussion on the future development of continuous-flow microreactor technology and provided performance and property relationship diagrams for multiple MOF series, offering valuable reference material for future research in related fields. Metal-organic framework ; Environmental science ; Materials science ; Chemistry ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Carbon dioxide utilization in catalysis ; Covalent Organic Framework Applications
Authors: Elaheh Janbezar | Hemayat Shekaari | Mohammad Bagheri
Source: Scientific Reports (article, 2025-05-14)
Field: Chemistry — Organic Chemistry

Gabapentin drug interactions in water and aqueous solutions of green betaine based compounds through volumetric, viscometric and interfacial properties Betaine as a bio-based surfac﻿tant, has been found in a variety of natural sources. Betaine improves drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products. To investigate the interactions between gabapentin (an antiepileptic drug) and betaine-based compounds, series of experiments were conducted at 298 K. These experiments involved volumetric, viscometric, and surface tension measurements of aqueous solutions containing gabapentin and various betaine-based compounds, including betaine, betaine octyl ester chloride ionic liquid and betaine-urea deep eutectic solvent (molar ratio of 1:2). Additionally, the Conductor like Screening Model (COSMO) method were employed to gain further insights into molecular interactions governing these systems. The volumetric studies revealed that the standard partial molar volumes V<sup>0</sup><sub>φ</sub> of the betaine-based compounds increased with increasing gabapentin concentration, suggesting significant solute-solvent interactions. The apparent specific volume (ASV) and the hydration number (n<sub>H</sub>) for gabapentin in the examined systems were calculated. The analysis of the obtained ASV and n<sub>H</sub> values indicated that gabapentin exhibits a bitter taste in aqueous deep eutectic solvent (DES) solutions and in the presence of betaine it gets most dehydrated. The viscosity measurements, analyzed using the Jones-Dole equation, yielded negative viscosity B-coefficient values for the betaine octyl ester chloride ionic liquid, suggesting its potential to enhance the drug-related properties of gabapentin. Surface tension measurements were used to determine the critical micelle concentration (CMC) of the betaine-based compounds and their related surface properties such as interface surface pressure (Π), and Gibbs maximum excess surface concentration ([Formula: see text]). The CMC values decreased with increasing gabapentin concentration, indicating enhanced micellization. The betaine octyl ester chloride ionic liquid exhibited the lowest CMC, suggesting its superior ability to form micelles. The results of this study suggested that the betaine-based compounds improve drug absorption, protect drugs from degradation, and enhance the performance of various therapeutic and hygiene products underscores their importance in both the pharmaceutical and industrial sectorsunds, particularly the betaine octyl ester chloride, may have the potential to improve the drug-related properties of gabapentin. Betaine ; Deep eutectic solvent ; Chemistry ; Aqueous solution ; Ionic liquid ; Surface tension ; Gabapentin ; Osmotic pressure ; Solvent ; Wilhelmy plate ; Eutectic system ; Organic chemistry ; Thermodynamics Surfactants and Colloidal Systems ; Chemical and Physical Properties in Aqueous Solutions ; Photochemistry and Electron Transfer Studies
Authors: Yuxin Zhang | Rui Wang
Source: Molecules (review, 2025-07-02)
Field: Materials Science — Materials Chemistry

Metal–Organic Framework (MOF)-Derived Metal Oxides for Selective Catalytic Reduction (SCR) of NOx Metal-organic frameworks (MOFs) are a novel type of porous crystalline materials assembled from metal ions and organic linkers. Their derivatives can inherit characteristics such as high specific surface area, tunable porosity, and unique topological structures, which make MOF-derived metal oxides ideal catalysts for the selective catalytic reduction (SCR) of NO<sub>x</sub>. This review focuses on the synthetic strategies of MOF-derived metal oxides and the latest progress of oxides derived from various typical MOFs materials (including MILs, ZIFs, UiO, BTC series, MOF-74, MOF-5, and Prussian blue analogs, etc.) in the catalytic reduction in NO<sub>x</sub>, and analyzes the mechanisms for the enhanced catalytic performance. In addition, the challenges and prospects of MOF derivatives in catalytic applications are discussed. It is hoped that this review will help researchers understand the latest research progress of MOF-derived metal oxide materials in the catalytic removal of NO<sub>x</sub> pollution. NOx ; Selective catalytic reduction ; Catalysis ; Metal-organic framework ; Metal ; Chemistry ; Selective reduction ; Reduction (mathematics) ; Inorganic chemistry ; Organic chemistry ; Combustion ; Adsorption Catalytic Processes in Materials Science ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Siddharth Prabhu | Nick Kosir | Mayuresh V. Kothare | Srinivas Rangarajan
Source: Industrial & Engineering Chemistry Research (article, 2025-01-27)
Field: Materials Science — Materials Chemistry

Derivative-Free Domain-Informed Data-Driven Discovery of Sparse Kinetic Models Developing data-driven kinetic models from reaction data is valuable for inferring the underlying reactions and designing reactive processes without needing first-principles models. However, recently developed techniques to learn interpretable dynamical models from data are susceptible to inherent experimental noise, especially in reaction kinetics data. Here, we address these issues by (1) employing a new derivative-free technique for sparse identification of dynamical equations that approximates the integral rather than the derivative (which we call as <i>DF-SINDy</i>) and (2) including domain information such as mass balance and chemistry information. We demonstrate this using retrospective examples to recover the true (known) governing equations from synthetic data under varying noise levels, sampling frequencies, and number of experiments. We observe that (1) models discovered from <i>DF-SINDy</i> have lower errors than those discovered from <i>SINDy</i> (Proc. Natl. Acad. Sci. U.S.A.2016, 113, 3932-3937, DOI: 10.1073/pnas.1517384113) and (2) adding domain knowledge further helps recover correct terms, thereby improving the reliability of the interpretations obtained from these models. This work is chemistry agnostic and represents a step toward developing domain-informed interpretable kinetic models for complex reaction networks. Domain (mathematical analysis) ; Derivative (finance) ; Computer science ; Kinetic energy ; Chemistry ; Physics ; Mathematics Machine Learning in Materials Science ; Model Reduction and Neural Networks ; Protein Structure and Dynamics
Authors: Xiaofeng Zhou | Siqiao Liu | Hongfa Xiang | Xiwang Li | Chunyan Wang | Yu Wu | Gen Li
Source: Biosensors (review, 2025-08-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Three-Dimensional SERS Substrates: Architectures, Hot Spot Engineering, and Biosensing Applications Three-dimensional (3D) surface-enhanced Raman scattering (SERS) substrates have demonstrated remarkable abilities of ultrasensitive and reproducible molecular detection. The combination of both electromagnetic and chemical enhancement processes, light trapping, and multiple scattering effects of 3D structures are what enhance their performance. The principles of underlying enhancements are summarized systematically, and the main types of 3D substrates-vertically aligned nanowires, dendritic and fractal nanostructures, porous frameworks and aerogels, core-shell and hollow nanospheres, and hierarchical hybrid structures-are categorized in this review. Advances in fabrication techniques, such as template-assisted growth, electrochemical and galvanic deposition, dealloying and freeze-drying, self-assembly, and hybrid integration, are critically evaluated in terms of structural tunability and scalability. Novel developments in the field of biosensing are also highlighted, including non-enzymatic glucose sensing, tumor biomarker sensing, and drug delivery. The remaining limitations, such as low reproducibility, mechanical stability, and substrate standardization, are also noted, and future directions, such as stimuli-responsive designs, multifunctional hybrid platforms, and data-driven optimization strategies of SERS technologies, are also included. Biosensor ; Nanotechnology ; Hot spot (computer programming) ; Materials science ; Computer science Gold and Silver Nanoparticles Synthesis and Applications ; Advanced biosensing and bioanalysis techniques ; Biosensors and Analytical Detection
Authors: Jinxia Zhou | Jie Wu | Shanshan Tang | Yanzhou Li
Source: Coatings (article, 2025-05-09)
Field: Materials Science — Surfaces, Coatings and Films

Review of Laser Texturing Technology for Surface Protection and Functional Regulation of Aluminum Alloys: Wettability, Anti-Icing, Corrosion Resistance, and Wear Resistance Laser surface texturing (LST) is a versatile method for enhancing material surface properties, offering high precision and flexibility for surface modification. This review comprehensively examines the application of laser texturing technology for surface protection and functional regulation of aluminum alloys, focusing on wettability, anti-icing, corrosion resistance, and wear resistance. It highlights recent progress in laser surface patterning techniques, describing the principles and attributes of methods such as direct laser writing, laser interference patterning, and laser shock treatment. The influence of laser intensity, scanning velocity, and texture spacing on surface topography is discussed thoroughly. Mechanisms of wettability control via laser surface texturing are summarized, emphasizing the key factors required to achieve superhydrophobic or hydrophilic properties through texture design. Advancements in enhancing anti-icing, anti-frost, anti-fouling, and anti-corrosion properties through multi-scale textures and their synergistic effects with functional coatings are analyzed. Additionally, the enhancement of wear resistance and friction performance under both dry and lubricated conditions is reviewed, with a focus on how the geometry and arrangement of textures affect the coefficient of friction and wear rate. Finally, the paper addresses challenges and future directions, including process optimization, scalability, and the integration of LST with advanced coatings to maximize its potential in aluminum alloy applications. Wetting ; Corrosion ; Icing ; Materials science ; Aluminium ; Metallurgy ; Wear resistance ; Laser ; Composite material ; Optics Surface Modification and Superhydrophobicity ; Tribology and Lubrication Engineering ; Adhesion, Friction, and Surface Interactions
Authors: Umer Ahsan | Ehsan Elahi | Abdul Sattar | Kalyan Jyoti Sarkar | Muhammad Asad | Hina Mustafa | Muhammad Irfan | Muhammad Ammar Sabar | Zdeněk Sofer
Source: Nanoscale (article, 2025-10-17)
Field: Materials Science — Materials Chemistry

Advances in visible and ultraviolet self-powered photodetectors: exploring 2D materials and Janus heterostructures Self-powered photodetectors (SPPDs) are becoming crucial in energy-efficient optoelectronics. They operate wi.thout any external power, utilizing built-in electric fields and photovoltaic effects. Their applications range from wearable sensors to optical communication. Recent advancements in 2D materials, perovskites, Janus heterostructures, Schottky junctions, and flexible substrates have significantly improved their responsivity, broadband absorption, and mechanical flexibility. However, challenges in stability, large-scale fabrication, and charge transport efficiency remain, hindering their commercial adoption. This review critically examines the recent progress in heterostructure-based SPPDs, addressing key challenges in their device performance, material integration, and scalability. While previous researches have explored individual material platforms, gaps remain in long-term stability, interface defects, and large-area processing. This study highlights the potential of novel fabrication techniques and doping strategies to enhance the detection performance by analyzing advances in interface engineering, band alignment, and hybrid material systems. Results highlight the promise of self-driven optimization, flexible electronics, and photodetectors based on quantum materials, offering valuable insights into the future trajectory of self-powered optoelectronics. This review highlights the existing challenges and opportunities, offering insights for future advancements in high-performance, self-sustaining photodetection technologies. Photodetection ; Photodetector ; Janus ; Heterojunction ; Interface (matter) ; Schottky diode ; Broadband ; Photovoltaic system 2D Materials and Applications ; Nanowire Synthesis and Applications