jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaomei Shen | Zhenzhen Wang | Xuejiao J. Gao | Xingfa Gao
Source: Advanced Materials (review, 2023-01-15)
Field: Materials Science — Materials Chemistry

Reaction Mechanisms and Kinetics of Nanozymes: Insights from Theory and Computation "Nanozymes" usually refers to inorganic nanomaterials with enzyme-like catalytic activities. The research into nanozymes is one of the hot topics on the horizon of interdisciplinary science involving materials, chemistry, and biology. Although great progress has been made in the design, synthesis, characterization, and application of nanozymes, the study of the underlying microscopic mechanisms and kinetics is still not straightforward. Density functional theory (DFT) calculations compute the potential energy surfaces along the reaction coordinates for chemical reactions, which can give atomistic-level insights into the micro-mechanisms and kinetics for nanozymes. Therefore, DFT calculations have been playing an increasingly important role in exploring the mechanisms and kinetics for nanozymes in the past years. The calculations either predict the microscopic details for the catalytic processes to complement the experiments or further develop theoretical models to depict the physicochemical rules. In this review, the corresponding research progress is summarized. Particularly, the review focuses on the computational studies that closely interplay with the experiments. The relevant experimental results without DFT calculations will be also briefly discussed to offer a historic overview of how the computations promote the understanding of the microscopic mechanisms and kinetics of nanozymes. Materials science ; Kinetics ; Computation ; Nanotechnology ; Computer science ; Physics ; Classical mechanics ; Algorithm Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoparticles: synthesis and applications
Authors: Da Chen | Zhaoming Xia | Guo Zhixiong | Wangyan Gou | Junlong Zhao | Xuemei Zhou | Xiaohe Tan | Wenbin Li | Shoujie Zhao | Zhimin Tian | Yongquan Qu
Source: Nature Communications (article, 2023-11-06)
Field: Materials Science — Materials Chemistry

Bioinspired porous three-coordinated single-atom Fe nanozyme with oxidase-like activity for tumor visual identification via glutathione Inspired by structures of natural metalloenzymes, a biomimetic synthetic strategy is developed for scalable synthesis of porous Fe-N<sub>3</sub> single atom nanozymes (pFeSAN) using hemoglobin as Fe-source and template. pFeSAN delivers 3.3- and 8791-fold higher oxidase-like activity than Fe-N<sub>4</sub> and Fe<sub>3</sub>O<sub>4</sub> nanozymes. The high catalytic performance is attributed to (1) the suppressed aggregation of atomically dispersed Fe; (2) facilitated mass transfer and maximized exposure of active sites for the created mesopores by thermal removal of hemoglobin (2 ~ 3 nm); and (3) unique electronic configuration of Fe-N<sub>3</sub> for the oxygen-to-water oxidation pathway (analogy with natural cytochrome c oxidase). The pFeSAN is successfully demonstrated for the rapid colorimetric detection of glutathione with a low limit of detection (2.4 nM) and wide range (50 nM-1 mM), and further developed as a real-time, facile, rapid (~6 min) and precise visualization analysis methodology of tumors via glutathione level, showing its potentials for diagnostic and clinic applications. Glutathione ; Catalysis ; Detection limit ; Chemistry ; Porosity ; Electrochemistry ; Combinatorial chemistry ; Materials science ; Nanotechnology ; Electrode ; Physical chemistry ; Chromatography ; Enzyme ; Biochemistry ; Organic chemistry Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanocluster Synthesis and Applications
Authors: Amruta Shelar | Shivraj Hariram Nile | Ajay Vikram Singh | Dirk Rothenstein | Joachim Bill | Jianbo Xiao | Manohar G. Chaskar | Guoyin Kai | Rajendra Patil
Source: Nano-Micro Letters (review, 2023-02-16)
Field: Materials Science — Materials Chemistry

Recent Advances in Nano-Enabled Seed Treatment Strategies for Sustainable Agriculture: Challenges, Risk Assessment, and Future Perspectives Agro seeds are vulnerable to environmental stressors, adversely affecting seed vigor, crop growth, and crop productivity. Different agrochemical-based seed treatments enhance seed germination, but they can also cause damage to the environment; therefore, sustainable technologies such as nano-based agrochemicals are urgently needed. Nanoagrochemicals can reduce the dose-dependent toxicity of seed treatment, thereby improving seed viability and ensuring the controlled release of nanoagrochemical active ingredients However, the applications of nanoagrochemicals to plants in the field raise concerns about nanomaterial safety, exposure levels, and toxicological implications to the environment and human health. In the present comprehensive review, the development, scope, challenges, and risk assessments of nanoagrochemicals on seed treatment are discussed. Moreover, the implementation obstacles for nanoagrochemicals use in seed treatments, their commercialization potential, and the need for policy regulations to assess possible risks are also discussed. Based on our knowledge, this is the first time that we have presented legendary literature to readers in order to help them gain a deeper understanding of upcoming nanotechnologies that may enable the development of future generation seed treatment agrochemical formulations, their scope, and potential risks associated with seed treatment. Agrochemical ; Commercialization ; Scope (computer science) ; Biotechnology ; Business ; Agriculture ; Crop productivity ; Productivity ; Risk analysis (engineering) ; Biology ; Computer science ; Marketing ; Economics Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Seed Germination and Physiology
Authors: Jakob M. Bader | Vincent Albrecht | Matthias Mann
Source: Molecular & Cellular Proteomics (article, 2023-05-19)
Field: Chemistry — Spectroscopy

MS-Based Proteomics of Body Fluids: The End of the Beginning Accurate biomarkers are a crucial and necessary precondition for precision medicine, yet existing ones are often unspecific and new ones have been very slow to enter the clinic. Mass spectrometry (MS)-based proteomics excels by its untargeted nature, specificity of identification, and quantification, making it an ideal technology for biomarker discovery and routine measurement. It has unique attributes compared to affinity binder technologies, such as OLINK Proximity Extension Assay and SOMAscan. In in a previous review in 2017, we described technological and conceptual limitations that had held back success. We proposed a 'rectangular strategy' to better separate true biomarkers by minimizing cohort-specific effects. Today, this has converged with advances in MS-based proteomics technology, such as increased sample throughput, depth of identification, and quantification. As a result, biomarker discovery studies have become more successful, producing biomarker candidates that withstand independent verification and, in some cases, already outperform state-of-the-art clinical assays. We summarize developments over the last years, including the benefits of large and independent cohorts, which are necessary for clinical acceptance. Shorter gradients, new scan modes, and multiplexing are about to drastically increase throughput, cross-study integration, and quantification, including proxies for absolute levels. We have found that multiprotein panels are inherently more robust than current single analyte tests and better capture the complexity of human phenotypes. Routine MS measurement in the clinic is fast becoming a viable option. The full set of proteins in a body fluid (global proteome) is the most important reference and the best process control. Additionally, it increasingly has all the information that could be obtained from targeted analysis although the latter may be the most straightforward way to enter regular use. Many challenges remain, not least of a regulatory and ethical nature, but the outlook for MS-based clinical applications has never been brighter. Proteomics ; Computational biology ; Chemistry ; Biology ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Yunjia Jiang | Yongqi Hu | Binquan Luan | Lingyao Wang | Rajamani Krishna | Hao‐Fei Ni | Xin Hu | Yuanbin Zhang
Source: Nature Communications (article, 2023-01-25)
Field: Chemistry — Inorganic Chemistry

Benchmark single-step ethylene purification from ternary mixtures by a customized fluorinated anion-embedded MOF Ethylene (C<sub>2</sub>H<sub>4</sub>) purification from multi-component mixtures by physical adsorption is a great challenge in the chemical industry. Herein, we report a GeF<sub>6</sub><sup>2-</sup> anion embedded MOF (ZNU-6) with customized pore structure and pore chemistry for benchmark one-step C<sub>2</sub>H<sub>4</sub> recovery from C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub>. ZNU-6 exhibits significantly high C<sub>2</sub>H<sub>2</sub> (1.53 mmol/g) and CO<sub>2</sub> (1.46 mmol/g) capacity at 0.01 bar. Record high C<sub>2</sub>H<sub>4</sub> productivity is achieved from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> mixtures in a single adsorption process under various conditions. The separation performance is retained over multiple cycles and under humid conditions. The potential gas binding sites are investigated by density functional theory (DFT) calculations, which suggest that C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> are preferably adsorbed in the interlaced narrow channel with high aff0inity. In-situ single crystal structures with the dose of C<sub>2</sub>H<sub>2</sub>, CO<sub>2</sub> or C<sub>2</sub>H<sub>4</sub> further reveal the realistic host-guest interactions. Notably, rare C<sub>2</sub>H<sub>2</sub> clusters are formed in the narrow channel while two distinct CO<sub>2</sub> adsorption locations are observed in the narrow channel and the large cavity with a ratio of 1:2, which accurately account for the distinct adsorption heat curves. Ternary operation ; Ethylene ; Benchmark (surveying) ; Ion ; Materials science ; Chemistry ; Combinatorial chemistry ; Computer science ; Organic chemistry ; Catalysis ; Geology Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Gas Sensing Nanomaterials and Sensors
Authors: Md Hosne Mobarak | Mariam Akter Mimona | Md. Aminul Islam | Nayem Hossain | Fatema Tuz Zohura | Ibnul Imtiaz | Md Israfil Hossain Rimon
Source: Applied Surface Science Advances (article, 2023-11-28)
Field: Materials Science — Materials Chemistry

Scope of machine learning in materials research—A review This comprehensive review investigates the multifaceted applications of machine learning in materials research across six key dimensions, redefining the field's boundaries. It explains various knowledge acquisition mechanisms starting with supervised, unsupervised, reinforcement, and deep learning techniques. These techniques are transformative tools for transforming unactionable data into insightful actions. Moving on to the materials synthesis, the review emphasizes the profound influence of machine learning, as demonstrated by predictive models that speed up material selection, structure-property relationships that reveal crucial connections, and data-driven discovery that fosters innovation. Machine learning reshapes our comprehension and manipulation of materials by accelerating discovery and enabling tailored design through property prediction models and structure-property relationships. Machine learning extends its influence to image processing, improving object detection, classification, and segmentation precision and enabling methods like image generation, revolutionizing the potential of image processing in materials research. The most recent developments show how machine learning can have a transformative impact at the atomic level by enabling precise property prediction and intricate data extraction, representing significant advancements in material understanding and innovation. The review highlights how machine learning has the potential to revolutionize materials research by accelerating discovery, improving performance, and stimulating innovation. It does so while acknowledging obstacles like poor data quality and complicated algorithms. Machine learning offers a wide range of exciting prospects for scientific investigation and technological advancement, positioning it as a powerful force for influencing the future of materials research. Artificial intelligence ; Transformative learning ; Machine learning ; Computer science ; Property (philosophy) ; Data science ; Field (mathematics) ; Scope (computer science) Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Electron and X-Ray Spectroscopy Techniques
Authors: Doksoo Lee | Wei Chen | Liwei Wang | Yu‐Chin Chan
Source: Advanced Materials (review, 2023-12-05)
Field: Materials Science — Materials Chemistry

Data‐Driven Design for Metamaterials and Multiscale Systems: A Review Metamaterials are artificial materials designed to exhibit effective material parameters that go beyond those found in nature. Composed of unit cells with rich designability that are assembled into multiscale systems, they hold great promise for realizing next-generation devices with exceptional, often exotic, functionalities. However, the vast design space and intricate structure-property relationships pose significant challenges in their design. A compelling paradigm that could bring the full potential of metamaterials to fruition is emerging: data-driven design. This review provides a holistic overview of this rapidly evolving field, emphasizing the general methodology instead of specific domains and deployment contexts. Existing research is organized into data-driven modules, encompassing data acquisition, machine learning-based unit cell design, and data-driven multiscale optimization. The approaches are further categorized within each module based on shared principles, analyze and compare strengths and applicability, explore connections between different modules, and identify open research questions and opportunities. Metamaterial ; Computer science ; Field (mathematics) ; Material Design ; Software deployment ; Systems engineering ; Data-driven ; Data science ; Nanotechnology ; Artificial intelligence ; Materials science ; Software engineering ; Engineering ; World Wide Web Anodic Oxide Films and Nanostructures ; Topology Optimization in Engineering ; Acoustic Wave Phenomena Research
Authors: Dongming Cai | Zhuxian Yang | Rui Tong | Haiming Huang | Chuankun Zhang | Yongde Xia
Source: Small (review, 2023-11-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Binder‐Free MOF‐Based and MOF‐Derived Nanoarrays for Flexible Electrochemical Energy Storage: Progress and Perspectives The fast development of Internet of Things and the rapid advent of next-generation versatile wearable electronics require cost-effective and highly-efficient electroactive materials for flexible electrochemical energy storage devices. Among various electroactive materials, binder-free nanostructured arrays have attracted widespread attention. Featured with growing on a conductive and flexible substrate without using inactive and insulating binders, binder-free 3D nanoarray electrodes facilitate fast electron/ion transportation and rapid reaction kinetics with more exposed active sites, maintain structure integrity of electrodes even under bending or twisted conditions, readily release generated joule heat during charge/discharge cycles and achieve enhanced gravimetric capacity of the whole device. Binder-free metal-organic framework (MOF) nanoarrays and/or MOF-derived nanoarrays with high surface area and unique porous structure have emerged with great potential in energy storage field and been extensively exploited in recent years. In this review, common substrates used for binder-free nanoarrays are compared and discussed. Various MOF-based and MOF-derived nanoarrays, including metal oxides, sulfides, selenides, nitrides, phosphides and nitrogen-doped carbons, are surveyed and their electrochemical performance along with their applications in flexible energy storage are analyzed and overviewed. In addition, key technical issues and outlooks on future development of MOF-based and MOF-derived nanoarrays toward flexible energy storage are also offered. Electrochemical energy storage ; Energy storage ; Nanotechnology ; Materials science ; Electrochemistry ; Supercapacitor ; Chemistry ; Electrode Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced battery technologies research
Authors: Peter J. Gawne | Miguel Ferreira | Marisa Papaluca | Jan Grimm | Paolo Decuzzi
Source: Nature Reviews Materials (review, 2023-07-26)
Field: Materials Science — Biomaterials

New opportunities and old challenges in the clinical translation of nanotheranostics Translation (biology) ; Business ; Psychology ; Chemistry Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; RNA Interference and Gene Delivery
Authors: Ahmed Barhoum | Selma Hamimed | Hamda Slimi | Amina Othmani | Fatehy M. Abdel‐Haleem | Mikhaël Bechelany
Source: Trends in Environmental Analytical Chemistry (article, 2023-02-11)
Field: Chemistry — Electrochemistry

Modern designs of electrochemical sensor platforms for environmental analyses: Principles, nanofabrication opportunities, and challenges In recent decades, much attention has been paid to using nanomaterials in the development of highly-sensitive sensors for environmental monitoring. This review describes how nanomaterials are being used to develop electrochemical sensing platforms for environmental analysis (air pollution, water quality, soil nutrients, and soil pathogens). In particular, we discuss the use of nanofabrication techniques (e.g., monolayer self-assembly, drop-casting, molecular imprinting, electrodeposition, in situ polymerization, hydrogenation, and 3D printing) in the fabrication of high-sensitive electrodes is addressed. The potential use of carbon, organic, inorganic, and hybrid nanomaterials in electrochemical sensing platforms and to enable automation, real-time detection, and multiplexed test development are also addressed. Recent applications of mobile, disposable, wearable, implantable, and self-powered electrochemical sensors for monitoring ions, particles, compounds, nutrients, microorganisms, and contaminants in real environmental samples are covered. Finally, the opportunities and challenges in nanofabrication high-performance electrochemical sensors and optimizing their performance in testing real samples are highlighted. All data used are only avilable in this article Nanotechnology ; Nanomaterials ; Nanolithography ; Materials science ; Environmental analysis ; Computer science ; Environmental science ; Fabrication ; Chemistry Electrochemical Analysis and Applications ; Advanced Chemical Sensor Technologies ; Analytical Chemistry and Sensors
Authors: Hui Li | Rangrang Fan | Bingwen Zou | Jiazhen Yan | Qi Shi | Gang Guo
Source: Journal of Nanobiotechnology (review, 2023-03-02)
Field: Materials Science — Materials Chemistry

Roles of MXenes in biomedical applications: recent developments and prospects ....With the development of nanomedical technology, the application of various novel nanomaterials in the biomedical field has been greatly developed in recent years. MXenes, which are new inorganic nanomaterials with ultrathin atomic thickness, consist of layered transition metal carbides and nitrides or carbonitrides and have the general structural formula M<sub>n+1</sub>X<sub>n</sub>T<sub>x</sub> (n = 1-3). Based on the unique structural features of MXenes, such as ultrathin atomic thickness and high specific surface area, and their excellent physicochemical properties, such as high photothermal conversion efficiency and antibacterial properties, MXenes have been widely applied in the biomedical field. This review systematically summarizes the application of MXene-based materials in biomedicine. The first section is a brief summary of their synthesis methods and surface modification strategies, which is followed by a focused overview and analysis of MXenes applications in biosensors, diagnosis, therapy, antibacterial agents, and implants, among other areas. We also review two popular research areas: wearable devices and immunotherapy. Finally, the difficulties and research progress in the clinical translation of MXene-based materials in biomedical applications are briefly discussed. MXenes ; Nanotechnology ; Nanomaterials ; Materials science ; Biomedicine ; Bioinformatics ; Biology MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced Photocatalysis Techniques
Authors: Ji‐Hoon Kang | Heechang Shin | Ki Seok Kim | Min‐Kyu Song | Doyoon Lee | Yuan Meng | Chanyeol Choi | Jun Min Suh | B. Kim | Hyunseok Kim | Anh Tuấn Hoàng | Bo‐In Park | Guanyu Zhou | Suresh Sundaram | Phuong Vuong | Jiho Shin | Jinyeong Choe | Zhihao Xu | Rehan Younas | Justin S. Kim | Sangmoon Han | Sangho Lee | Sun Ok Kim | Beomseok Kang | Seungju Seo | Hyojung Ahn | Seunghwan Seo | Kate Reidy | Eugene Park | Sungchul Mun | Min‐Chul Park | Suyoun Lee | Hyung-jun Kim | Hyun S. Kum | Peng Lin | Christopher L. Hinkle | A. Ougazzaden | Jong‐Hyun Ahn | Jeehwan Kim | Sang‐Hoon Bae
Source: Nature Materials (article, 2023-11-27)
Field: Materials Science — Materials Chemistry

Monolithic 3D integration of 2D materials-based electronics towards ultimate edge computing solutions Electronics ; Materials science ; Enhanced Data Rates for GSM Evolution ; Nanotechnology ; Computer science ; Engineering physics ; Engineering ; Electrical engineering ; Telecommunications 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Memory and Neural Computing
Authors: Gul Awiaz | Jie Lin | Aiguo Wu
Source: Exploration (review, 2023-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances of Au@Ag core–shell SERS‐based biosensors The methodological advancements in surface-enhanced Raman scattering (SERS) technique with nanoscale materials based on noble metals, Au, Ag, and their bimetallic alloy Au-Ag, has enabled the highly efficient sensing of chemical and biological molecules at very low concentration values. By employing the innovative various type of Au, Ag nanoparticles and especially, high efficiency Au@Ag alloy nanomaterials as substrate in SERS based biosensors have revolutionized the detection of biological components including; proteins, antigens antibodies complex, circulating tumor cells, DNA, and RNA (miRNA), etc. This review is about SERS-based Au/Ag bimetallic biosensors and their Raman enhanced activity by focusing on different factors related to them. The emphasis of this research is to describe the recent developments in this field and conceptual advancements behind them. Furthermore, in this article we apex the understanding of impact by variation in basic features like effects of size, shape varying lengths, thickness of core-shell and their influence of large-scale magnitude and morphology. Moreover, the detailed information about recent biological applications based on these core-shell noble metals, importantly detection of receptor binding domain (RBD) protein of COVID-19 is provided. Bimetallic strip ; Biosensor ; Nanotechnology ; Raman scattering ; Materials science ; Nanomaterials ; Nanoscopic scale ; Nanoparticle ; Raman spectroscopy ; Metal ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques