jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiangdong Xu | Dimitrios Valavanis | Paolo Ciocci | Samuel Confederat | Fabio Marcuccio | Jean‐François Lemineur | Paolo Actis | Frédéric Kanoufi | Patrick R. Unwin
Source: Analytical Chemistry (review, 2023-01-10)
Field: Chemistry — Electrochemistry

The New Era of High-Throughput Nanoelectrochemistry International audience Biography ; Library science ; Art history ; Chemistry ; Art ; Computer science Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Biao Qin | Muhammad Zeeshan Saeed | Qiuqiu Li | Manli Zhu | Ya Feng | Ziqi Zhou | Jingzhi Fang | Mongur Hossain | Zucheng Zhang | Yucheng Zhou | Ying Huangfu | Rong Song | Jingmei Tang | Bailing Li | Jialing Liu | Di Wang | Kun He | Hongmei Zhang | Ruixia Wu | Bei Zhao | Jia Li | Lei Liao | Zhongming Wei | Bo Li | Xiangfeng Duan | Xidong Duan
Source: Nature Communications (article, 2023-01-19)
Field: Materials Science — Materials Chemistry

General low-temperature growth of two-dimensional nanosheets from layered and nonlayered materials Most of the current methods for the synthesis of two-dimensional materials (2DMs) require temperatures not compatible with traditional back-end-of-line (BEOL) processes in semiconductor industry (450 °C). Here, we report a general BiOCl-assisted chemical vapor deposition (CVD) approach for the low-temperature synthesis of 27 ultrathin 2DMs. In particular, by mixing BiOCl with selected metal powders to produce volatile intermediates, we show that ultrathin 2DMs can be produced at 280-500 °C, which are ~200-300 °C lower than the temperatures required for salt-assisted CVD processes. In-depth characterizations and theoretical calculations reveal the low-temperature processes promoting 2D growth and the oxygen-inhibited synthetic mechanism ensuring the formation of ultrathin nonlayered 2DMs. We demonstrate that the resulting 2DMs exhibit electrical, magnetic and optoelectronic properties comparable to those of 2DMs grown at much higher temperatures. The general low-temperature preparation of ultrathin 2DMs defines a rich material platform for exploring exotic physics and facile BEOL integration in semiconductor industry. Chemical vapor deposition ; Materials science ; Semiconductor ; Nanotechnology ; Mixing (physics) ; Chemical engineering ; Optoelectronics 2D Materials and Applications ; Graphene research and applications ; Electronic and Structural Properties of Oxides
Authors: Walaa Fawaz | Jameela Hasian | Ibrahim Alghoraibi
Source: Scientific Reports (article, 2023-10-30)
Field: Materials Science — Materials Chemistry

Synthesis and physicochemical characterization of carbon quantum dots produced from folic acid The rising interest in carbon dots (c-dots) is driven by their remarkable potential in the field of biomedical applications. This is due to their distinctive and adjustable photoluminescence characteristics, outstanding physicochemical properties, excellent photostability, and biocompatibility. Herein, carbon dots were successfully produced via the heat synthesis method and characterization for physical and chemical properties using UV-Vis spectrophotometer, photoluminescence spectroscopy, Fourier Transform Infrared and Raman spectroscopy, Energy-dispersive X-ray analysis, and quantum yield. The resulting carbon dots exhibited a distinct blue fluorescence upon exposure to ultraviolet radiation with a 366 nm wavelength. The photoluminescence spectrum of carbon dots displayed a fluorescence peak around 470 nm when excited with a 325 nm wavelength. The synthesized carbon dots demonstrated thermal stability and maintained photoluminescence intensity under different pH conditions, including neutral and alkaline mediums, and good salt resistance ability. Raman spectroscopy confirmed the presence of structural defects within the carbon dots, which are associated with the presence of hybrid groups on their surface. Fourier-transform infrared analysis detected various carbon-bonded, nitrogen-bonded, and oxygen-bonded units. The quantum yield was around 8.9%. These findings from our experiments indicate that the manufactured carbon dots possess substantial promise for a wide range of applications within the biotechnology field. Photoluminescence ; Raman spectroscopy ; Materials science ; Fourier transform infrared spectroscopy ; Quantum yield ; Carbon fibers ; Quantum dot ; Fluorescence ; Spectroscopy ; Analytical Chemistry (journal) ; Biocompatibility ; Ultraviolet ; Photochemistry ; Nanotechnology ; Chemistry ; Optoelectronics ; Chemical engineering ; Organic chemistry ; Optics ; Composite material Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Xuemei Wang | Aitang Zhang | Minghui Chen | Moaaz K. Seliem | Mohamed Mobarak | Zhiquan Diao | Zichao Li
Source: Chemical Engineering Journal (article, 2023-08-14)
Field: Materials Science — Materials Chemistry

Adsorption of azo dyes and Naproxen by few-layer MXene immobilized with dialdehyde starch nanoparticles: Adsorption properties and statistical physics modeling Adsorption ; Langmuir adsorption model ; Monolayer ; Chemical engineering ; Langmuir ; Chemistry ; Materials science ; Organic chemistry ; Nuclear chemistry ; Nanotechnology MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: Mandana Saebi | Bozhao Nan | John E. Herr | Jessica Wahlers | Zhichun Guo | A. Zuranski | Thierry Kogej | Per‐Ola Norrby | Abigail G. Doyle | Nitesh V. Chawla | Olaf Wiest
Source: Chemical Science (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

On the use of real-world datasets for reaction yield prediction The lack of publicly available, large, and unbiased datasets is a key bottleneck for the application of machine learning (ML) methods in synthetic chemistry. Data from electronic laboratory notebooks (ELNs) could provide less biased, large datasets, but no such datasets have been made publicly available. The first real-world dataset from the ELNs of a large pharmaceutical company is disclosed and its relationship to high-throughput experimentation (HTE) datasets is described. For chemical yield predictions, a key task in chemical synthesis, an attributed graph neural network (AGNN) performs as well as or better than the best previous models on two HTE datasets for the Suzuki-Miyaura and Buchwald-Hartwig reactions. However, training the AGNN on an ELN dataset does not lead to a predictive model. The implications of using ELN data for training ML-based models are discussed in the context of yield predictions. Bottleneck ; Computer science ; Yield (engineering) ; Key (lock) ; Task (project management) ; Machine learning ; Context (archaeology) ; Artificial intelligence ; Graph ; Training set ; Data mining ; Theoretical computer science Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Metabolomics and Mass Spectrometry Studies
Authors: Hanxun Jin | Enrui Zhang | Horacio D. Espinosa
Source: Applied Mechanics Reviews (review, 2023-07-17)
Field: Materials Science — Materials Chemistry

Recent Advances and Applications of Machine Learning in Experimental Solid Mechanics: A Review Abstract For many decades, experimental solid mechanics has played a crucial role in characterizing and understanding the mechanical properties of natural and novel artificial materials. Recent advances in machine learning (ML) provide new opportunities for the field, including experimental design, data analysis, uncertainty quantification, and inverse problems. As the number of papers published in recent years in this emerging field is growing exponentially, it is timely to conduct a comprehensive and up-to-date review of recent ML applications in experimental solid mechanics. Here, we first provide an overview of common ML algorithms and terminologies that are pertinent to this review, with emphasis placed on physics-informed and physics-based ML methods. Then, we provide thorough coverage of recent ML applications in traditional and emerging areas of experimental mechanics, including fracture mechanics, biomechanics, nano- and micromechanics, architected materials, and two-dimensional materials. Finally, we highlight some current challenges of applying ML to multimodality and multifidelity experimental datasets, quantifying the uncertainty of ML predictions, and proposing several future research directions. This review aims to provide valuable insights into the use of ML methods and a variety of examples for researchers in solid mechanics to integrate into their experiments. Micromechanics ; Solid mechanics ; Computer science ; Field (mathematics) ; Variety (cybernetics) ; Management science ; Data science ; Artificial intelligence ; Engineering ; Physics ; Mathematics ; Algorithm Machine Learning in Materials Science ; Model Reduction and Neural Networks ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Xiaolei Hu | Grzegorz Szczepaniak | Anna Lewandowska-Andrałojć | Jaepil Jeong | Bingda Li | Hironobu Murata | Rongguan Yin | Arman Moini Jazani | Subha R. Das | Krzysztof Matyjaszewski
Source: Journal of the American Chemical Society (article, 2023-10-25)
Field: Chemistry — Organic Chemistry

Red-Light-Driven Atom Transfer Radical Polymerization for High-Throughput Polymer Synthesis in Open Air Photoinduced reversible-deactivation radical polymerization (photo-RDRP) techniques offer exceptional control over polymerization, providing access to well-defined polymers and hybrid materials with complex architectures. However, most photo-RDRP methods rely on UV/visible light or photoredox catalysts (PCs), which require complex multistep synthesis. Herein, we present the first example of fully oxygen-tolerant red/NIR-light-mediated photoinduced atom transfer radical polymerization (photo-ATRP) in a high-throughput manner under biologically relevant conditions. The method uses commercially available methylene blue (MB<sup>+</sup>) as the PC and [X-Cu<sup>II</sup>/TPMA]<sup>+</sup> (TPMA = tris(2-pyridylmethyl)amine) complex as the deactivator. The mechanistic study revealed that MB<sup>+</sup> undergoes a reductive quenching cycle in the presence of the TPMA ligand used in excess. The formed semireduced MB (MB<sup>•</sup>) sustains polymerization by regenerating the [Cu<sup>I</sup>/TPMA]<sup>+</sup> activator and together with [X-Cu<sup>II</sup>/TPMA]<sup>+</sup> provides control over the polymerization. This dual catalytic system exhibited excellent oxygen tolerance, enabling polymerizations with high monomer conversions (>90%) in less than 60 min at low volumes (50-250 μL) and high-throughput synthesis of a library of well-defined polymers and DNA-polymer bioconjugates with narrow molecular weight distributions (<i>Đ</i> < 1.30) in an open-air 96-well plate. In addition, the broad absorption spectrum of MB<sup>+</sup> allowed ATRP to be triggered under UV to NIR irradiation (395-730 nm). This opens avenues for the integration of orthogonal photoinduced reactions. Finally, the MB<sup>+</sup>/Cu catalysis showed good biocompatibility during polymerization in the presence of cells, which expands the potential applications of this method. Polymerization ; Chemistry ; Atom-transfer radical-polymerization ; Photochemistry ; Polymer ; Photoredox catalysis ; Monomer ; Radical polymerization ; Catalysis ; Photocatalysis ; Combinatorial chemistry ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Click Chemistry and Applications ; Radical Photochemical Reactions
Authors: Jin‐Cheng Shu | Mao‐Sheng Cao | Yan‐Lan Zhang | Yuze Wang | Quanliang Zhao | Xiao‐Yong Fang | Shuhui Yang | Yong Qin | Jie Yuan
Source: Advanced Functional Materials (article, 2023-01-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Atomic‐Molecular Engineering Tailoring Graphene Microlaminates to Tune Multifunctional Antennas Abstract Atomic‐molecular engineering is an effective way to accurately tailor the microstructures and components of materials at the micro‐nano scale, which can be applied to flexibly manipulate their electromagnetic (EM) response. Herein, graphene microlaminates with multi‐layer structure are fabricated by atomic cluster engineering and oxidative molecular layer deposition for the first time. The microlaminates enable a tunable EM loss (from 0.93 to 3.94 for imaginary permittivity and from 0.17 to 0.25 for imaginary permeability) by changing poly(3,4‐ethylenedioxythiophene) cycles, and the attenuation constant reaches 160. On this basis, multifunctional antennas are conceived, achieving frequency‐selective response that enables steady harvest of &gt; 90% of EM energy from signal source, and tactfully recycling waste heat energy and mechanical energy. This study will furnish a new horizon for information transmission and artificial intelligence in the future. Materials science ; Graphene ; Permittivity ; Metamaterial ; Nanotechnology ; Atomic layer deposition ; Optoelectronics ; Layer (electronics) ; Dielectric Electromagnetic wave absorption materials ; Metamaterials and Metasurfaces Applications ; MXene and MAX Phase Materials
Authors: Jonathan Tersur Orasugh | Suprakas Sinha Ray
Source: ACS Omega (review, 2023-02-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Functional and Structural Facts of Effective Electromagnetic Interference Shielding Materials: A Review Electromagnetic interference (EMI) shielding effectiveness (SE) systems have received immense attention from researchers owing to the rapid development in electronics and telecommunications, which is an alarming matter in our modern society. This radiation can damage the performance of EM devices and may harmfully affect animal/human health. The harmonious utilization of magnetic alloys and conducting but nonmagnetic materials (such as carbon/graphene) is a practical approach toward EMI SE. This review is not exhaustive, although it is comprehensive and aimed at all materials for EMI SE especially graphene-based polymeric composites. It encompasses multifunctional and functional structural EMI shields. These materials comprise polymers, carbons, ceramics, metals, cement composites/nanocomposites, and hybrids. The accessibility of abundant categories of carbon-based materials in their microscale, nanoscale, and quantum forms as EMI shields as polymer-carbon, cement-carbon, ceramic-carbon, metal-carbon, and their hybrids, makes them receive much attention, as a result of their unique amalgamation of electrical, magnetic, dielectric, thermal, and/or mechanical properties. Herewith, we have discussed the principles of EMI shields along with their design and state of the art basis and material architecture along with the drawbacks in research on EMI shields. EMI ; Electromagnetic interference ; Materials science ; Shields ; Graphene ; Electromagnetic shielding ; Electronics ; Ceramic ; Nanotechnology ; Nanocomposite ; Carbon fibers ; Composite material ; Mechanical engineering ; Composite number ; Electrical engineering ; Engineering Electromagnetic wave absorption materials
Authors: Sander Vandenhaute | Maarten Cools‐Ceuppens | Simon DeKeyser | Toon Verstraelen | Véronique Van Speybroeck
Source: npj Computational Materials (article, 2023-02-06)
Field: Chemistry — Inorganic Chemistry

Machine learning potentials for metal-organic frameworks using an incremental learning approach Abstract Computational modeling of physical processes in metal-organic frameworks (MOFs) is highly challenging due to the presence of spatial heterogeneities and complex operating conditions which affect their behavior. Density functional theory (DFT) may describe interatomic interactions at the quantum mechanical level, but is computationally too expensive for systems beyond the nanometer and picosecond range. Herein, we propose an incremental learning scheme to construct accurate and data-efficient machine learning potentials for MOFs. The scheme builds on the power of equivariant neural network potentials in combination with parallelized enhanced sampling and on-the-fly training to simultaneously explore and learn the phase space in an iterative manner. With only a few hundred single-point DFT evaluations per material, accurate and transferable potentials are obtained, even for flexible frameworks with multiple structurally different phases. The incremental learning scheme is universally applicable and may pave the way to model framework materials in larger spatiotemporal windows with higher accuracy. Computer science ; Scheme (mathematics) ; Artificial intelligence ; Artificial neural network ; Construct (python library) ; Machine learning ; Theoretical computer science ; Mathematics Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; Crystallography and molecular interactions
Authors: Bhuvi Sachdeva | Punya Sachdeva | Arvind Negi | Shampa Ghosh | Sung Soo Han | Saikat Dewanjee | Saurabh Kumar Jha | Rakesh Bhaskar | Jitendra Kumar Sinha | Ana Cláudia Paiva‐Santos | Niraj Kumar Jha | Kavindra Kumar Kesari
Source: Marine Drugs (review, 2023-03-28)
Field: Materials Science — Biomaterials

Chitosan Nanoparticles-Based Cancer Drug Delivery: Application and Challenges Chitin is the second most abundant biopolymer consisting of <i>N</i>-acetylglucosamine units and is primarily derived from the shells of marine crustaceans and the cell walls of organisms (such as bacteria, fungi, and algae). Being a biopolymer, its materialistic properties, such as biodegradability, and biocompatibility, make it a suitable choice for biomedical applications. Similarly, its deacetylated derivative, chitosan, exhibits similar biocompatibility and biodegradability properties, making it a suitable support material for biomedical applications. Furthermore, it has intrinsic material properties such as antioxidant, antibacterial, and antitumor. Population studies have projected nearly 12 million cancer patients across the globe, where most will be suffering from solid tumors. One of the shortcomings of potent anticancer drugs is finding a suitable cellular delivery material or system. Therefore, identifying new drug carriers to achieve effective anticancer therapy is becoming essential. This paper focuses on the strategies implemented using chitin and chitosan biopolymers in drug delivery for cancer treatment. Biocompatibility ; Chitosan ; Biopolymer ; Chitin ; Drug delivery ; Nanotechnology ; Targeted drug delivery ; Population ; Biodegradation ; Drug carrier ; Drug ; Materials science ; Chemistry ; Pharmacology ; Biology ; Organic chemistry ; Medicine ; Polymer Nanocomposite Films for Food Packaging ; Advanced Drug Delivery Systems ; Electrospun Nanofibers in Biomedical Applications
Authors: Yijia Huang | Tianxiao Xiao | Shuai Chen | Zhengwei Xie | Jie Zheng | Jianqi Zhu | Yarong Su | Weidong Chen | Ke Liu | Mingjun Tang | Peter Müller‐Buschbaum | Ling Li
Source: Opto-Electronic Advances (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All-optical controlled-NOT logic gate achieving directional asymmetric transmission based on metasurface doublet Optical logic gates play important roles in all-optical logic circuits, which lie at the heart of the next-generation optical computing technology. However, the intrinsic contradiction between compactness and robustness hinders the development in this field. Here, we propose a simple design principle that can possess multiple-input-output states according to the incident circular polarization and direction based on the metasurface doublet, which enables controlled-NOT logic gates in infrared region. Therefore, the directional asymmetric electromagnetic transmission can be achieved. As a proof of concept, a spin-dependent Janus metasurface is designed and experimentally verified that four distinct images corresponding to four input states can be captured in the far-field. In addition, since the design method is derived from geometric optics, it can be easily applied to other spectra. We believe that the proposed metasurface doublet may empower many potential applications in chiral imaging, chiroptical spectroscopy and optical computing. Logic gate ; Robustness (evolution) ; Polarization (electrochemistry) ; Physics ; Proof of concept ; Electronic circuit ; Optical computing ; AND gate ; Optics ; Computer science ; Algorithm ; Quantum mechanics Metamaterials and Metasurfaces Applications ; Random lasers and scattering media ; Neural Networks and Reservoir Computing
Authors: Paras Mani Giri | Anurag Banerjee | Buddhadev Layek
Source: Cancers (review, 2023-04-12)
Field: Materials Science — Biomaterials

A Recent Review on Cancer Nanomedicine Cancer is one of the most prevalent diseases globally and is the second major cause of death in the United States. Despite the continuous efforts to understand tumor mechanisms and various approaches taken for treatment over decades, no significant improvements have been observed in cancer therapy. Lack of tumor specificity, dose-related toxicity, low bioavailability, and lack of stability of chemotherapeutics are major hindrances to cancer treatment. Nanomedicine has drawn the attention of many researchers due to its potential for tumor-specific delivery while minimizing unwanted side effects. The application of these nanoparticles is not limited to just therapeutic uses; some of them have shown to have extremely promising diagnostic potential. In this review, we describe and compare various types of nanoparticles and their role in advancing cancer treatment. We further highlight various nanoformulations currently approved for cancer therapy as well as under different phases of clinical trials. Finally, we discuss the prospect of nanomedicine in cancer management. Nanomedicine ; Cancer ; Medicine ; Cancer therapy ; Clinical trial ; Cancer treatment ; Intensive care medicine ; Nanotechnology ; Internal medicine ; Nanoparticle Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; RNA Interference and Gene Delivery
Authors: Vinayak G. Parale | Taehee Kim | Haryeong Choi | Varsha D. Phadtare | Rushikesh P. Dhavale | Kazuyoshi Kanamori | Hyung‐Ho Park
Source: Advanced Materials (review, 2023-11-02)
Field: Chemistry — Spectroscopy

Mechanically Strengthened Aerogels through Multiscale, Multicompositional, and Multidimensional Approaches: A Review In recent decades, aerogels have attracted tremendous attention in academia and industry as a class of lightweight and porous multifunctional nanomaterial. Despite their wide application range, the low mechanical durability hinders their processing and handling, particularly in applications requiring complex physical structures. "Mechanically strengthened aerogels" have emerged as a potential solution to address this drawback. Since the first report on aerogels in 1931, various modified synthesis processes have been introduced in the last few decades to enhance the aerogel mechanical strength, further advancing their multifunctional scope. This review summarizes the state-of-the-art developments of mechanically strengthened aerogels through multicompositional and multidimensional approaches. Furthermore, new trends and future directions for as prevailed commercialization of aerogels as plastic materials are discussed. Materials science ; Nanotechnology Aerogels and thermal insulation ; Advanced Cellulose Research Studies ; Advanced Sensor and Energy Harvesting Materials