jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaodong Cai | Rong Tang | Haoyang Zhou | Qiushi Li | Shaojie Ma | Dongyi Wang | Tong Liu | Xiaohui Ling | Wei Tan | Qiong He | Shiyi Xiao | Lei Zhou
Source: Advanced Photonics (article, 2021-06-26)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dynamically controlling terahertz wavefronts with cascaded metasurfaces Dynamically controlling terahertz (THz) wavefronts in a designable fashion is highly desired in practice. However, available methods working at microwave frequencies do not work well in the THz regime due to lacking suitable tunable elements with submicrometer sizes. Here, instead of locally controlling individual meta-atoms in a THz metasurface, we show that rotating different layers (each exhibiting a particular phase profile) in a cascaded metadevice at different speeds can dynamically change the effective Jonesmatrix property of the whole device, thus enabling extraordinary manipulations on the wavefront and polarization characteristics of a THz beam impinging on the device. After illustrating our strategy based on model calculations, we experimentally demonstrate two proof-of-concept metadevices, each consisting of two carefully designed all-silicon transmissive metasurfaces exhibiting different phase profiles. Rotating two metasurfaces inside the fabricated devices at different speeds, we experimentally demonstrate that the first metadevice can efficiently redirect a normally incident THz beam to scan over a wide solid-angle range, while the second one can dynamically manipulate both the wavefront and polarization of a THz beam. Our results pave the way to achieving dynamic control of THz beams, which is useful in many applications, such as THz radar, and bio-and chemical sensing and imaging. Terahertz radiation ; Wavefront ; Polarization (electrochemistry) ; Optics ; Optoelectronics ; Microwave ; Materials science ; Beam (structure) ; Beam steering ; Physics Metamaterials and Metasurfaces Applications ; Antenna Design and Analysis ; Plasmonic and Surface Plasmon Research
Authors: Kaushik Kumar Bharadwaj | Bijuli Rabha | Siddhartha Pati | Tanmay Sarkar | Bhabesh Kumar Choudhury | Arpita Barman | Dorothy Bhattacharjya | Ankit Srivastava | Debabrat Baishya | Hisham Atan Edinur | Zulhisyam Abdul Kari | Noor Haslina Mohd Noor
Source: Molecules (review, 2021-10-22)
Field: Materials Science — Materials Chemistry

Green Synthesis of Gold Nanoparticles Using Plant Extracts as Beneficial Prospect for Cancer Theranostics Gold nanoparticles (AuNPs) have been widely explored and are well-known for their medical applications. Chemical and physical synthesis methods are a way to make AuNPs. In any case, the hunt for other more ecologically friendly and cost-effective large-scale technologies, such as environmentally friendly biological processes known as green synthesis, has been gaining interest by worldwide researchers. The international focus on green nanotechnology research has resulted in various nanomaterials being used in environmentally and physiologically acceptable applications. Several advantages over conventional physical and chemical synthesis (simple, one-step approach to synthesize, cost-effectiveness, energy efficiency, and biocompatibility) have drawn scientists' attention to exploring the green synthesis of AuNPs by exploiting plants' secondary metabolites. Biogenic approaches, mainly the plant-based synthesis of metal nanoparticles, have been chosen as the ideal strategy due to their environmental and in vivo safety, as well as their ease of synthesis. In this review, we reviewed the use of green synthesized AuNPs in the treatment of cancer by utilizing phytochemicals found in plant extracts. This article reviews plant-based methods for producing AuNPs, characterization methods of synthesized AuNPs, and discusses their physiochemical properties. This study also discusses recent breakthroughs and achievements in using green synthesized AuNPs in cancer treatment and different mechanisms of action, such as reactive oxygen species (ROS), mediated mitochondrial dysfunction and caspase activation, leading to apoptosis, etc., for their anticancer and cytotoxic effects. Understanding the mechanisms underlying AuNPs therapeutic efficacy will aid in developing personalized medicines and treatments for cancer as a potential cancer therapeutic strategy. Colloidal gold ; Nanotechnology ; Nanoparticle ; Cancer ; Materials science ; Chemistry ; Medicine ; Internal medicine Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Nanoparticle-Based Drug Delivery
Authors: Paulina D. Rakowska | Mariavitalia Tiddia | Nilofar Faruqui | Claire Bankier | Yiwen Pei | Andrew J. Pollard | Junting Zhang | Ian S. Gilmore
Source: Communications Materials (article, 2021-05-28)
Field: Chemistry — Organic Chemistry

Antiviral surfaces and coatings and their mechanisms of action Abstract Viral infections are a serious health challenge, and the COVID-19 pandemic has increased the demand for antiviral measures and treatments for clean surfaces, especially in public places. Here, we review a range of natural and synthetic surface materials and coatings with antiviral properties, including metals, polymers and biopolymers, graphene and antimicrobial peptides, and their underpinning antiviral mechanisms. We also discuss the physico-chemical properties of surfaces which influence virus attachment and persistence on surfaces. Finally, an overview is given of the current practices and applications of antiviral and virucidal materials and coatings in consumer products, personal protective equipment, healthcare and public settings. Underpinning ; Nanotechnology ; Coronavirus disease 2019 (COVID-19) ; Pandemic ; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ; Antiviral therapy ; Antimicrobial ; Materials science ; Virus ; Chemistry ; Virology ; Medicine ; Engineering ; Infectious disease (medical specialty) ; Disease ; Organic chemistry Polydiacetylene-based materials and applications ; Biosensors and Analytical Detection ; Dental Research and COVID-19
Authors: Ady Suwardi | Fuke Wang | Kun Xue | Ming‐Yong Han | Peili Teo | Pei Wang | Shijie Wang | Ye Liu | Enyi Ye | Li Zibiao | Xian Jun Loh
Source: Advanced Materials (review, 2021-10-07)
Field: Materials Science — Materials Chemistry

Machine Learning‐Driven Biomaterials Evolution Biomaterials is an exciting and dynamic field, which uses a collection of diverse materials to achieve desired biological responses. While there is constant evolution and innovation in materials with time, biomaterials research has been hampered by the relatively long development period required. In recent years, driven by the need to accelerate materials development, the applications of machine learning in materials science has progressed in leaps and bounds. The combination of machine learning with high-throughput theoretical predictions and high-throughput experiments (HTE) has shifted the traditional Edisonian (trial and error) paradigm to a data-driven paradigm. In this review, each type of biomaterial and their key properties and use cases are systematically discussed, followed by how machine learning can be applied in the development and design process. The discussions are classified according to various types of materials used including polymers, metals, ceramics, and nanomaterials, and implants using additive manufacturing. Last, the current gaps and potential of machine learning to further aid biomaterials discovery and application are also discussed. Nanotechnology ; Materials science ; Biomaterial ; LEAPS ; Throughput ; Computer science ; Biochemical engineering ; Artificial intelligence ; Engineering Machine Learning in Materials Science ; Bone Tissue Engineering Materials ; Additive Manufacturing and 3D Printing Technologies
Authors: Priyanka Makkar | Narendra Nath Ghosh
Source: RSC Advances (review, 2021-01-01)
Field: Materials Science — Materials Chemistry

A review on the use of DFT for the prediction of the properties of nanomaterials Nanostructured materials have gained immense attraction because of their extraordinary properties compared to the bulk materials to be used in a plethora of applications in myriad fields. In this review article, we have discussed how the Density Functional Theory (DFT) calculation can be used to explain some of the properties of nanomaterials. With some specific examples here, it has been shown that how closely the different properties of nanomaterials (such as optical, optoelectronics, catalytic and magnetic) predicted by DFT calculations match well with the experimentally determined values. Some examples were discussed in detail to inspire the experimental scientists to conduct DFT-based calculations along with the experiments to derive a better understanding of the experimentally obtained results as well as to predict the properties of the nanomaterial. We have pointed out the challenges associated with DFT, and potential future perspectives of this new exciting field. Nanomaterials ; Density functional theory ; Nanotechnology ; Materials science ; Field (mathematics) ; Computational chemistry ; Chemistry ; Mathematics Copper-based nanomaterials and applications ; Advanced Chemical Physics Studies ; nanoparticles nucleation surface interactions
Authors: Artur M. Schweidtmann | Erik Esche | Asja Fischer | Marius Kloft | Jens‐Uwe Repke | Sebastian Säger | Alexander Mitsos
Source: Chemie Ingenieur Technik (article, 2021-10-22)
Field: Materials Science — Materials Chemistry

Machine Learning in Chemical Engineering: A Perspective Abstract The transformation of the chemical industry to renewable energy and feedstock supply requires new paradigms for the design of flexible plants, (bio‐)catalysts, and functional materials. Recent breakthroughs in machine learning (ML) provide unique opportunities, but only joint interdisciplinary research between the ML and chemical engineering (CE) communities will unfold the full potential. We identify six challenges that will open new methods for CE and formulate new types of problems for ML: (1) optimal decision making, (2) introducing and enforcing physics in ML, (3) information and knowledge representation, (4) heterogeneity of data, (5) safety and trust in ML applications, and (6) creativity. Under the umbrella of these challenges, we discuss perspectives for future interdisciplinary research that will enable the transformation of CE. Perspective (graphical) ; Creativity ; Computer science ; Representation (politics) ; Renewable energy ; Raw data ; Management science ; Knowledge management ; Data science ; Biochemical engineering ; Artificial intelligence ; Engineering Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Process Optimization and Integration
Authors: Biao Zhao | Zhan’ao Tan
Source: Advanced Science (review, 2021-02-10)
Field: Materials Science — Materials Chemistry

Fluorescent Carbon Dots: Fantastic Electroluminescent Materials for Light‐Emitting Diodes Fluorescent carbon dots (CDs) have emerged as fantastic luminescent nanomaterials with significant potentials on account of their unique photoluminescence properties, high stability, and low toxicity. The application of CDs in electroluminescent light-emitting diodes (LEDs) have aroused much interest in recent years. Herein, the state-of-the-art advances of CD-based electroluminescent LEDs are summarized, in which CDs act as active emission layer and interface transport layer materials is discussed and highlighted. Besides, the device structure of CD-based LEDs and preparation methods of CDs are also introduced. Furthermore, the opportunities and challenges for achieving high performance CD-based electroluminescent LED devices are presented. This review article is expected to stimulate more unprecedented achievements derived from CDs and CD-based electroluminescent LEDs, thus further promoting their practical applications in future solid-state lighting and flat-panel displays. Electroluminescence ; Fluorescence ; Materials science ; Optoelectronics ; Light-emitting diode ; Carbon fibers ; Diode ; Nanotechnology ; Quantum dot ; Optics ; Physics ; Composite material Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Bilal Mughal | Syed Zohaib Javaid Zaidi | Xunli Zhang | Sammer-ul Hassan
Source: Applied Sciences (article, 2021-03-15)
Field: Materials Science — Materials Chemistry

Biogenic Nanoparticles: Synthesis, Characterisation and Applications Nanotechnology plays a big part in our modern daily lives, ranging from the biomedical sector to the energy sector. There are different physicochemical and biological methods to synthesise nanoparticles towards multiple applications. Biogenic production of nanoparticles through the utilisation of microorganisms provides great advantages over other techniques and is increasingly being explored. This review examines the process of the biogenic synthesis of nanoparticles mediated by microorganisms such as bacteria, fungi and algae, and their applications. Microorganisms offer a disparate environment for nanoparticle synthesis. Optimum production and minimum time to obtain the desired size and shape, to improve the stability of nanoparticles and to optimise specific microorganisms for specific applications are the challenges to address, however. Numerous applications of biogenic nanoparticles in medicine, environment, drug delivery and biochemical sensors are discussed. Nanotechnology ; Nanoparticle ; Microorganism ; Biochemical engineering ; Materials science ; Bacteria ; Engineering ; Biology Nanoparticles: synthesis and applications ; Nanotechnology research and applications
Authors: Muhammad Yaseen | Muhammad Arif Khan Khattak | Muhammad Humayun | Muhammad Usman | Syed Shaheen Shah | Shaista Bibi | Syed ul Hasnain Bakhtiar | Shah Masood Ahmad | Abbas Khan | Nasrullah Shah | Asif Ali Tahir | Habib Ullah
Source: Energies (review, 2021-11-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A Review of Supercapacitors: Materials Design, Modification, and Applications Supercapacitors (SCs) have received much interest due to their enhanced electrochemical performance, superior cycling life, excellent specific power, and fast charging–discharging rate. The energy density of SCs is comparable to batteries; however, their power density and cyclability are higher by several orders of magnitude relative to batteries, making them a flexible and compromising energy storage alternative, provided a proper design and efficient materials are used. This review emphasizes various types of SCs, such as electrochemical double-layer capacitors, hybrid supercapacitors, and pseudo-supercapacitors. Furthermore, various synthesis strategies, including sol-gel, electro-polymerization, hydrothermal, co-precipitation, chemical vapor deposition, direct coating, vacuum filtration, de-alloying, microwave auxiliary, in situ polymerization, electro-spinning, silar, carbonization, dipping, and drying methods, are discussed. Furthermore, various functionalizations of SC electrode materials are summarized. In addition to their potential applications, brief insights into the recent advances and associated problems are provided, along with conclusions. This review is a noteworthy addition because of its simplicity and conciseness with regard to SCs, which can be helpful for researchers who are not directly involved in electrochemical energy storage. Supercapacitor ; Materials science ; Nanotechnology ; Energy storage ; Power density ; Coating ; Electrochemistry ; Electrode ; Power (physics) ; Chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advanced battery technologies research
Authors: A. N. Vereshchagin | Nikita A. Frolov | Ksenia S. Egorova | Marina M. Seitkalieva | Valentine P. Ananikov
Source: International Journal of Molecular Sciences (review, 2021-06-24)
Field: Chemistry — Organic Chemistry

Quaternary Ammonium Compounds (QACs) and Ionic Liquids (ILs) as Biocides: From Simple Antiseptics to Tunable Antimicrobials Quaternary ammonium compounds (QACs) belong to a well-known class of cationic biocides with a broad spectrum of antimicrobial activity. They are used as essential components in surfactants, personal hygiene products, cosmetics, softeners, dyes, biological dyes, antiseptics, and disinfectants. Simple but varied in their structure, QACs are divided into several subclasses: Mono-, bis-, multi-, and poly-derivatives. Since the beginning of the 20th century, a significant amount of work has been dedicated to the advancement of this class of biocides. Thus, more than 700 articles on QACs were published only in 2020, according to the modern literature. The structural variability and diverse biological activity of ionic liquids (ILs) make them highly prospective for developing new types of biocides. QACs and ILs bear a common key element in the molecular structure-quaternary positively charged nitrogen atoms within a cyclic or acyclic structural framework. The state-of-the-art research level and paramount demand in modern society recall the rapid development of a new generation of tunable antimicrobials. This review focuses on the main QACs exhibiting antimicrobial and antifungal properties, commercial products based on QACs, and the latest discoveries in QACs and ILs connected with biocide development. Biocide ; Antimicrobial ; Ionic liquid ; Ammonium ; Triclosan ; Cosmetics ; Antifungal ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Microbiology ; Biology ; Medicine Antimicrobial agents and applications ; Ionic liquids properties and applications ; Environmental Chemistry and Analysis
Authors: Gim Pao Lim | Chin Fhong Soon | Nyuk Ling | Marlia Morsin | Nafarizal Nayan | Mohd Khairul Ahmad | Kian Sek Tee
Source: Environmental Research (review, 2021-06-25)
Field: Materials Science — Materials Chemistry

Cytotoxicity of MXene-based nanomaterials for biomedical applications: A mini review MXenes ; Biocompatibility ; Cytotoxicity ; Nanotechnology ; In vivo ; Biomedicine ; Drug delivery ; Materials science ; Chemistry ; In vitro ; Biology ; Bioinformatics ; Biotechnology ; Biochemistry MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: Mian Zahid Hussain | Zhuxian Yang | Zheng Huang | Quanli Jia | Yanqiu Zhu | Yongde Xia
Source: Advanced Science (review, 2021-05-24)
Field: Chemistry — Inorganic Chemistry

Recent Advances in Metal–Organic Frameworks Derived Nanocomposites for Photocatalytic Applications in Energy and Environment Solar energy is a key sustainable energy resource, and materials with optimal properties are essential for efficient solar energy-driven applications in photocatalysis. Metal-organic frameworks (MOFs) are excellent platforms to generate different nanocomposites comprising metals, oxides, chalcogenides, phosphides, or carbides embedded in porous carbon matrix. These MOF derived nanocomposites offer symbiosis of properties like high crystallinities, inherited morphologies, controllable dimensions, and tunable textural properties. Particularly, adjustable energy band positions achieved by in situ tailored self/external doping and controllable surface functionalities make these nanocomposites promising photocatalysts. Despite some progress in this field, fundamental questions remain to be addressed to further understand the relationship between the structures, properties, and photocatalytic performance of nanocomposites. In this review, different synthesis approaches including self-template and external-template methods to produce MOF derived nanocomposites with various dimensions (0D, 1D, 2D, or 3D), morphologies, chemical compositions, energy bandgaps, and surface functionalities are comprehensively summarized and analyzed. The state-of-the-art progress in the applications of MOF derived nanocomposites in photocatalytic water splitting for H<sub>2</sub> generation, photodegradation of organic pollutants, and photocatalytic CO<sub>2</sub> reduction are systemically reviewed. The relationships between the nanocomposite properties and their photocatalytic performance are highlighted, and the perspectives of MOF derived nanocomposites for photocatalytic applications are also discussed. Photocatalysis ; Nanocomposite ; Metal-organic framework ; Materials science ; Nanotechnology ; Metal ; Environmental science ; Chemical engineering ; Chemistry ; Metallurgy ; Engineering ; Catalysis ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Advanced Nanomaterials in Catalysis
Authors: Robbin Bouwmeester | Ralf Gabriels | Niels Hulstaert | Lennart Martens | Sven Degroeve
Source: Nature Methods (article, 2021-10-28)
Field: Chemistry — Spectroscopy

DeepLC can predict retention times for peptides that carry as-yet unseen modifications The inclusion of peptide retention time prediction promises to remove peptide identification ambiguity in complex liquid chromatography-mass spectrometry identification workflows. However, due to the way peptides are encoded in current prediction models, accurate retention times cannot be predicted for modified peptides. This is especially problematic for fledgling open searches, which will benefit from accurate retention time prediction for modified peptides to reduce identification ambiguity. We present DeepLC, a deep learning peptide retention time predictor using peptide encoding based on atomic composition that allows the retention time of (previously unseen) modified peptides to be predicted accurately. We show that DeepLC performs similarly to current state-of-the-art approaches for unmodified peptides and, more importantly, accurately predicts retention times for modifications not seen during training. Moreover, we show that DeepLC's ability to predict retention times for any modification enables potentially incorrect identifications to be flagged in an open search of a wide variety of proteome data. Carry (investment) ; Computational biology ; Computer science ; Chemistry ; Biology ; Business Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Advanced biosensing and bioanalysis techniques