jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yun Xiang | Qijun Chen | Zhongjing Su | Lu Zhang | Zuohui Chen | Guozhi Zhou | Zhuping Yao | Qi Xuan | Yuan Cheng
Source: Frontiers in Plant Science (article, 2022-05-02)
Field: Chemistry — Analytical Chemistry

Deep Learning and Hyperspectral Images Based Tomato Soluble Solids Content and Firmness Estimation Cherry tomato (<i>Solanum lycopersicum</i>) is popular with consumers over the world due to its special flavor. Soluble solids content (SSC) and firmness are two key metrics for evaluating the product qualities. In this work, we develop non-destructive testing techniques for SSC and fruit firmness based on hyperspectral images and the corresponding deep learning regression model. Hyperspectral reflectance images of over 200 tomato fruits are derived with the spectrum ranging from 400 to 1,000 nm. The acquired hyperspectral images are corrected and the spectral information are extracted. A novel one-dimensional (1D) convolutional ResNet (Con1dResNet) based regression model is proposed and compared with the state of art techniques. Experimental results show that, with a relatively large number of samples our technique is 26.4% better than state of art technique for SSC and 33.7% for firmness. The results of this study indicate the application potential of hyperspectral imaging technique in the SSC and firmness detection, which provides a new option for non-destructive testing of cherry tomato fruit quality in the future. Hyperspectral imaging ; Artificial intelligence ; Solanum ; Mathematics ; Flavor ; Pattern recognition (psychology) ; Deep learning ; Computer science ; Horticulture ; Food science ; Chemistry ; Biology Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Advanced Chemical Sensor Technologies
Authors: Bart Van Puyvelde | Simon Daled | Sander Willems | Ralf Gabriels | Anne Gonzalez de Peredo | Karima Chaoui | Emmanuelle Mouton‐Barbosa | David Bouyssié | Kurt Boonen | Christopher J. Hughes | Lee A. Gethings | Yasset Pérez‐Riverol | Nic Bloomfield | Stephen Tate | Odile Burlet‐Schiltz | Lennart Martens | Dieter Deforce | Maarten Dhaenens
Source: Scientific Data (article, 2022-03-30)
Field: Chemistry — Spectroscopy

A comprehensive LFQ benchmark dataset on modern day acquisition strategies in proteomics In the last decade, a revolution in liquid chromatography-mass spectrometry (LC-MS) based proteomics was unfolded with the introduction of dozens of novel instruments that incorporate additional data dimensions through innovative acquisition methodologies, in turn inspiring specialized data analysis pipelines. Simultaneously, a growing number of proteomics datasets have been made publicly available through data repositories such as ProteomeXchange, Zenodo and Skyline Panorama. However, developing algorithms to mine this data and assessing the performance on different platforms is currently hampered by the lack of a single benchmark experimental design. Therefore, we acquired a hybrid proteome mixture on different instrument platforms and in all currently available families of data acquisition. Here, we present a comprehensive Data-Dependent and Data-Independent Acquisition (DDA/DIA) dataset acquired using several of the most commonly used current day instrumental platforms. The dataset consists of over 700 LC-MS runs, including adequate replicates allowing robust statistics and covering over nearly 10 different data formats, including scanning quadrupole and ion mobility enabled acquisitions. Datasets are available via ProteomeXchange (PXD028735). Computer science ; Data acquisition ; Benchmark (surveying) ; Data mining ; Proteomics ; Data science ; Biology Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Dongliang Tang | Zhenglong Shao | Xin Xie | Yingjie Zhou | Xiaohu Zhang | Fan Fan | Shuangchun Wen
Source: Opto-Electronic Advances (article, 2022-10-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Flat multifunctional liquid crystal elements through multi-dimensional information multiplexing Flat optical elements have attracted enormous attentions and act as promising candidates for the next generation of optical components. As one of the most outstanding representatives, liquid crystal (LC) has been widely applied in flat panel display industries and inspires the wavefront modulation with the development of LC alignment techniques. However, most LC elements perform only one type of optical manipulation and are difficult to realize the multifunctionality and light integration. Here, flat multifunctional liquid crystal elements (FMLCEs), merely composed of anisotropic LC molecules with space-variant orientations, are presented for multichannel information manipulation by means of polarization, space and wavelength multiplexing. Specifically, benefiting from the unique light response with the change of the incident polarization, observation plane, and working wavelength, a series of FMLCEs are demonstrated to achieve distinct near- and far-field display functions. The proposed strategy takes full advantage of basic optical parameters as the decrypted keys to improve the information capacity and security, and we expect it to find potential applications in information encryption, optical anti-counterfeiting, virtual/augmented reality, etc. Multiplexing ; Wavefront ; Polarization (electrochemistry) ; Encryption ; Optics ; Liquid crystal ; Materials science ; Computer science ; Ray ; Wavelength ; Optoelectronics ; Physics ; Telecommunications ; Chemistry Liquid Crystal Research Advancements ; Orbital Angular Momentum in Optics ; Optical Polarization and Ellipsometry
Authors: Saúl Vallejos | Miriam Trigo‐López | Ana Arnáiz | Álvaro Miguel | Asunción Muñoz | Aránzazu Mendía | José M. García
Source: Polymers (review, 2022-11-16)
Field: Materials Science — Biomaterials

From Classical to Advanced Use of Polymers in Food and Beverage Applications Polymers are extensively used in food and beverage packaging to shield against contaminants and external damage due to their barrier properties, protecting the goods inside and reducing waste. However, current trends in polymers for food, water, and beverage applications are moving forward into the design and preparation of advanced polymers, which can act as active packaging, bearing active ingredients in their formulation, or controlling the head-space composition to extend the shelf-life of the goods inside. In addition, polymers can serve as sensory polymers to detect and indicate the presence of target species, including contaminants of food quality indicators, or even to remove or separate target species for later quantification. Polymers are nowadays essential materials for both food safety and the extension of food shelf-life, which are key goals of the food industry, and the irruption of smart materials is opening new opportunities for going even further in these goals. This review describes the state of the art following the last 10 years of research within the field of food and beverage polymer's applications, covering present applications, perspectives, and concerns related to waste generation and the circular economy. Food packaging ; Shelf life ; Food industry ; Beverage industry ; Polymer ; Food safety ; Food products ; Active packaging ; Environmental science ; Biochemical engineering ; Business ; Nanotechnology ; Materials science ; Engineering ; Food science ; Chemistry ; Marketing ; Composite material Nanocomposite Films for Food Packaging ; Advanced Chemical Sensor Technologies ; Microplastics and Plastic Pollution
Authors: Caleb Hoopes | Francisco J. Garcia | Akash Mamon Sarkar | Nicholas Kuehl | David T. Barkan | Nicole Collins | Glenna E. Meister | Taylor R. Bramhall | Chien-Hsiang Hsu | Michael D. Jones | Markus Schirle | Michael T. Taylor
Source: Journal of the American Chemical Society (article, 2022-04-02)
Field: Chemistry — Organic Chemistry

Donor–Acceptor Pyridinium Salts for Photo-Induced Electron-Transfer-Driven Modification of Tryptophan in Peptides, Proteins, and Proteomes Using Visible Light Tryptophan (Trp) plays a variety of critical functional roles in protein biochemistry; however, owing to its low natural frequency and poor nucleophilicity, the design of effective methods for both single protein bioconjugation at Trp as well as for <i>in situ</i> chemoproteomic profiling remains a challenge. Here, we report a method for covalent Trp modification that is suitable for both scenarios by invoking photo-induced electron transfer (PET) as a means of driving efficient reactivity. We have engineered biaryl <i>N</i>-carbamoyl pyridinium salts that possess a donor-acceptor relationship that enables optical triggering with visible light whilst simultaneously attenuating the probe's photo-oxidation potential in order to prevent photodegradation. This probe was assayed against a small bank of eight peptides and proteins, where it was found that micromolar concentrations of the probe and short irradiation times (10-60 min) with violet light enabled efficient reactivity toward surface exposed Trp residues. The carbamate transferring group can be used to transfer useful functional groups to proteins including affinity tags and click handles. DFT calculations and other mechanistic analyses reveal correlations between excited state lifetimes, relative fluorescence quantum yields, and chemical reactivity. Biotinylated and azide-functionalized pyridinium salts were used for Trp profiling in HEK293T lysates and <i>in situ</i> in HEK293T cells using 440 nm LED irradiation. Peptide-level enrichment from live cell labeling experiments identified 290 Trp modifications, with 82% selectivity for Trp modification over other π-amino acids, demonstrating the ability of this method to identify and quantify reactive Trp residues from live cells. Chemistry ; Pyridinium ; Tryptophan ; Reactivity (psychology) ; Fluorescence ; Photochemistry ; Covalent bond ; Bioorthogonal chemistry ; Bioconjugation ; Electron transfer ; Combinatorial chemistry ; Amino acid ; Click chemistry ; Biochemistry ; Organic chemistry Click Chemistry and Applications ; Radical Photochemical Reactions ; Fluorine in Organic Chemistry
Authors: Rui Jiang | Yumin Da | Zelin Chen | Xiaoya Cui | Xiaopeng Han | Haibo Ke | Yanhui Liu | Yanan Chen | Yida Deng | Wenbin Hu
Source: Advanced Energy Materials (article, 2022-01-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Progress and Perspective of Metallic Glasses for Energy Conversion and Storage Abstract Owing to its unique atomic arrangement and electronic structure, metallic glass (MG) has been widely investigated in the field of energy storage and conversion. In the past few decades, multiple strategies have been developed to synthesize bulk and nanosized MG based materials. Here, combining the structure–activity relationship of MG with electrochemical reaction kinetics, the substantial progress of glass structures in electrocatalytic processes are highlighted, including the hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction, methanol oxidation reaction, carbon dioxide reduction reaction, and nitrogen fixation. Meanwhile, applications of MG materials in energy storage devices, like supercapacitors and lithium‐ion batteries, are also introduced in detail. Finally, challenges and possibilities for reasonable design of highly‐efficient MG‐based electrode materials are proposed. The integration of high‐throughput methods, artificial intelligence technology, as well as advanced characterization techniques is fundamental to screen materials with remarkable performance. This review aims to deepen the understanding of the relationship between electronic structure and electrochemical performance, providing guidance for rational design of functional MG materials with outstanding activity, selectivity, and durability. Materials science ; Nanotechnology ; Electrochemistry ; Energy storage ; Electrochemical energy conversion ; Oxygen evolution ; Hydrogen storage ; Electrochemical energy storage ; Supercapacitor ; Electrode ; Metallurgy ; Power (physics) Supercapacitor Materials and Fabrication ; Metallic Glasses and Amorphous Alloys ; Advancements in Battery Materials
Authors: Haoran Li | Diego Serrano | Thomas Guillod | Evan Dogariu | Andrew B. Nadler | Shukai Wang | Min Luo | Vineet Bansal | Yuxin Chen | Charles R. Sullivan | Minjie Chen
Source: 2022 IEEE Applied Power Electronics Conference and Exposition (APEC) (article, 2022-03-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

MagNet: An Open-Source Database for Data-Driven Magnetic Core Loss Modeling This paper introduces an open-source database - MagNet - for data-driven magnetic core loss modeling. MagNet aims to support data-driven magnetics research by hosting a large amount of experimentally measured excitation waveform data for many materials across a variety of operating conditions. This database in its current state contains over 150,000 excitation waveforms for six ferrite materials - TDK{N27, N49, N87}, Ferroxcube{3C90, 3C94}, Fair-Rite{78} - in the 50 kHz to 500 kHz, 10 mT to 300 mT range for sinusoidal, triangle, and trapezoidal waveforms. This paper presents the purposes of building MagNet, introduces the data acquisition system and data format, discusses the data quality, and presents a few examples of using this database with data driven methods. Magnet ; Waveform ; Computer science ; Magnetic core ; Excitation ; Database ; Electrical engineering ; Engineering ; Voltage ; Electromagnetic coil Magnetic Properties and Applications ; Non-Destructive Testing Techniques ; Magnetic Field Sensors Techniques
Authors: John S. McCloy | Sophie Schuller
Source: Comptes Rendus Géoscience (review, 2022-02-28)
Field: Materials Science — Materials Chemistry

Vitrification of wastes: from unwanted to controlled crystallization, a review In this review, we provide a perspective on the science and technology of vitrification of waste. First, we provide a background on the general classes of wastes for which vitrification is currently used for immobilization or is proposed, including nuclear and industrial hazardous wastes. Next, we summarize the issues surrounding solubility of waste ions and resulting uncontrolled crystallization or phase separation. Some newer waste form designs propose a controlled crystallization, resulting in a glass-ceramic. A summary of glass systems and glass-ceramic systems is given, with the focus on immobilizing waste components at high waste loading. Throughout, design and processing considerations are given, and the difference between uncontrolled undesirable and controlled desirable crystallization is offered. Vitrification ; Crystallization ; Hazardous waste ; Ceramic ; Materials science ; Waste management ; Radioactive waste ; Waste treatment ; Phase (matter) ; Environmental science ; Municipal solid waste ; Glass-ceramic ; Process engineering ; Chemical engineering ; Chemistry ; Engineering ; Composite material Nuclear materials and radiation effects ; Recycling and utilization of industrial and municipal waste in materials production ; Glass properties and applications
Authors: Ms. Veenu Gupta
Source: International Journal for Research in Applied Science and Engineering Technology (article, 2022-07-08)
Field: Materials Science — Biomaterials

Microbial Production of Biopolymers and Polymer Precursors Abstract: Living organisms, namely, prokaryotes and eukaryotes, are able to synthesize a variety of polymers, such as nucleic acids, proteins, and other polyamides, polysaccharides, polyesters, polythioesters, polyanhydrides, polyisoprenoids, and lignin. Microorganisms provide a source of biopolymers and biopolysaccharides from renewable sources. Bacteria are capable of yielding biopolymers with properties comparable to plastics derived from petrochemicals, though more expensive. They have the additional advantage of being biodegradable. A wide range of microbial polysaccharides have been studied, and structure/function relationships for a number of these macromolecules have been determined. These biopolymers accomplish different essential and beneficial functions for the organisms. Among the biopolymers produced, many are used for various industrial applications. Currently, the biotechnological production of polymers has been mostly achieved by fermentation of microorganisms in stirred bioreactors. The biopolymers can be obtained as extracellular or intracellular compounds. Alternatively, biopolymers can also be produced by in vitro enzymatic processes. However, the largest amounts of biopolymers are still extracted from plant and animal sources. Biopolymers exhibit fascinating properties and play a major role in the food processing industry, e.g., modifying texture and other properties. Among the various biopolymers, polysaccharides and bioplastics are the most important in the food industry. This chapter will discuss the sources of polymers, their biosynthesis by different organisms, and their application in different fields. A huge variety of biopolymers, such as polysaccharides, polyesters, and polyamides, are naturally produced by microorganisms. These range from viscous solutions to plastics and their physical properties are dependent on the composition and molecular weight of the polymer. The genetic manipulation of microorganisms opens up an enormous potential for the biotechnological production of biopolymers with tailored properties suitable for highvalue medical application such as tissue engineering and drug delivery. Biopolymer ; Bioplastic ; Microorganism ; Polymer ; Polysaccharide ; Polyester ; Polyhydroxyalkanoates ; Chemistry ; Polymer science ; Materials science ; Organic chemistry ; Bacteria ; Biology biodegradable polymer synthesis and properties ; Polysaccharides Composition and Applications ; Enzyme Catalysis and Immobilization
Authors: Yannick Guari≠ | Maëlle Cahu | Gautier Félix≠ | Saad Sene | Jérôme Long | Joël Chopineau | Jean‐Marie Devoisselle | Joulia Larionova≠
Source: Coordination Chemistry Reviews (article, 2022-03-16)
Field: Chemistry — Inorganic Chemistry

Nanoheterostructures based on nanosized Prussian blue and its Analogues: Design, properties and applications Prussian blue ; Nanomaterials ; Chemistry ; Nanotechnology ; Nanoparticle ; Polymer ; Hybrid material ; Metal ; Metal-organic framework ; Materials science ; Organic chemistry ; Physical chemistry Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Chemistry and Materials
Authors: Adiki Raja Sekhar | Youhei Chitose | Jiří Janoš | Sahar Israeli Dangoor | Andrea Ramundo | Ronit Satchi‐Fainaro | Petr Slavı́ček | Petr Klán | Roy Weinstain
Source: Nature Communications (article, 2022-06-24)
Field: Materials Science — Materials Chemistry

Porphyrin as a versatile visible-light-activatable organic/metal hybrid photoremovable protecting group Photoremovable protecting groups (PPGs) represent one of the main contemporary implementations of photochemistry in diverse fields of research and practical applications. For the past half century, organic and metal-complex PPGs were considered mutually exclusive classes, each of which provided unique sets of physical and chemical properties thanks to their distinctive structures. Here, we introduce the meso-methylporphyrin group as a prototype hybrid-class PPG that unites traditionally exclusive elements of organic and metal-complex PPGs within a single structure. We show that the porphyrin scaffold allows extensive modularity by functional separation of the metal-binding chromophore and up to four sites of leaving group release. The insertion of metal ions can be used to tune their spectroscopic, photochemical, and biological properties. We provide a detailed description of the photoreaction mechanism studied by steady-state and transient absorption spectroscopies and quantum-chemical calculations. Our approach applied herein could facilitate access to a hitherto untapped chemical space of potential PPG scaffolds. Porphyrin ; Chromophore ; Modularity (biology) ; Metal ; Materials science ; Metal ions in aqueous solution ; Combinatorial chemistry ; Photochemistry ; Group (periodic table) ; Chemistry ; Nanotechnology ; Chemical physics ; Computer science ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Palak Jethva | Munira Momin | Tabassum Khan | Abdelwahab Omri
Source: Materials (review, 2022-03-23)
Field: Materials Science — Materials Chemistry

Lanthanide-Doped Upconversion Luminescent Nanoparticles—Evolving Role in Bioimaging, Biosensing, and Drug Delivery Upconverting luminescent nanoparticles (UCNPs) are "new generation fluorophores" with an evolving landscape of applications in diverse industries, especially life sciences and healthcare. The anti-Stokes emission accompanied by long luminescence lifetimes, multiple absorptions, emission bands, and good photostability, enables background-free and multiplexed detection in deep tissues for enhanced imaging contrast. Their properties such as high color purity, high resistance to photobleaching, less photodamage to biological samples, attractive physical and chemical stability, and low toxicity are affected by the chemical composition; nanoparticle crystal structure, size, shape and the route; reagents; and procedure used in their synthesis. A wide range of hosts and lanthanide ion (Ln<sup>3+</sup>) types have been used to control the luminescent properties of nanosystems. By modification of these properties, the performance of UCNPs can be designed for anticipated end-use applications such as photodynamic therapy (PDT), high-resolution displays, bioimaging, biosensors, and drug delivery. The application landscape of inorganic nanomaterials in biological environments can be expanded by bridging the gap between nanoparticles and biomolecules via surface modifications and appropriate functionalization. This review highlights the synthesis, surface modification, and biomedical applications of UCNPs, such as bioimaging and drug delivery, and presents the scope and future perspective on Ln-doped UCNPs in biomedical applications. Nanotechnology ; Nanomaterials ; Surface modification ; Materials science ; Biosensor ; Photobleaching ; Drug delivery ; Biomolecule ; Luminescence ; Nanoparticle ; Biological imaging ; Lanthanide ; Nanomedicine ; Luminescent Measurements ; Photon upconversion ; Fluorescence ; Chemistry ; Organic chemistry ; Optoelectronics ; Ion Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics
Authors: Vinh X. Truong | Julian Bachmann | Andreas‐Neil Unterreiner | James P. Blinco | Christopher Barner‐Kowollik
Source: Angewandte Chemie International Edition (article, 2022-01-14)
Field: Materials Science — Materials Chemistry

Wavelength‐Orthogonal Stiffening of Hydrogel Networks with Visible Light Herein, we introduce the wavelength-orthogonal crosslinking of hydrogel networks using two red-shifted chromophores, i.e. acrylpyerene (AP, λ<sub>activation</sub> =410-490 nm) and styrylpyrido[2,3-b]pyrazine (SPP, λ<sub>activation</sub> =400-550 nm), able to undergo [2+2] photocycloaddition in the visible-light regime. The photoreactivity of the SPP moiety is pH-dependent, whereby an acidic environment inhibits the cycloaddition. By employing a spiropyran-based photoacid generator with suitable absorption wavelength, we are able to restrict the activation wavelength of the SPP moiety to the green light region (λ<sub>activation</sub> =520-550 nm), enabling wavelength-orthogonal activation of the AP group. Our wavelength-orthogonal photochemical system was successfully applied in the design of hydrogels whose stiffness can be tuned independently by either green or blue light. Visible spectrum ; Wavelength ; Materials science ; Stiffening ; Optics ; Optoelectronics ; Composite material ; Physics Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Luminescence and Fluorescent Materials