jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ahmed Hosney | Sana Ullah | Karolina Barčauskaitė
Source: Marine Drugs (review, 2022-10-28)
Field: Materials Science — Biomaterials

A Review of the Chemical Extraction of Chitosan from Shrimp Wastes and Prediction of Factors Affecting Chitosan Yield by Using an Artificial Neural Network There are two viable options to produce shrimp shells as by-product waste, either within the shrimp production phases or when the shrimp are peeled before cooking by the end user. This waste is considered a double-edged sword, as it is possible to be either a source of environmental pollution, through dumping and burning, or a promising source from which to produce chitosan as a biodegradable, biocompatible biopolymer which has a variety of agricultural, industrial, and biomedical applications. Chitosan is a deacetylated form of chitin that can be chemically recovered from shrimp shells through the three sequential stages of demineralization, deproteinization, and deacetylation. The main aim of this review paper is to summarize the recent literature on the chemical extraction of chitosan from shrimp shells and to represent the physicochemical properties of chitosan extracted from shrimp shells in different articles, such as chitosan yield, moisture content, solubility, ash content, and degree of deacetylation. Another aim is to analyze the influence of the main predictors of the chemical extraction stages (demineralization, deproteinization, and deacetylation) on the chitosan yield percentage by using a multilayer perceptron artificial neural network. This study showed that the deacetylation alkali concentration is the most crucial parameter, followed by the concentrations of acid and alkali of demineralization and deproteinization, respectively. The current review was conducted to be used in prospective studies for optimizing the chemical extraction of chitosan from shrimp wastes. Chitosan ; Chitin ; Demineralization ; Shrimp ; Extraction (chemistry) ; Pulp and paper industry ; Chemistry ; Biopolymer ; Yield (engineering) ; Materials science ; Chromatography ; Organic chemistry ; Biology ; Fishery ; Composite material Nanocomposite Films for Food Packaging ; Food and Agricultural Sciences ; Animal Nutrition and Physiology
Authors: Jules Schleinitz | Maxime Langevin | Yanis Smail | Benjamin Wehnert | Laurence Grimaud | Rodolphe Vuilleumier
Source: Journal of the American Chemical Society (article, 2022-08-08)
Field: Materials Science — Materials Chemistry

Machine Learning Yield Prediction from NiCOlit, a Small-Size Literature Data Set of Nickel Catalyzed C–O Couplings Synthetic yield prediction using machine learning is intensively studied. Previous work has focused on two categories of data sets: high-throughput experimentation data, as an ideal case study, and data sets extracted from proprietary databases, which are known to have a strong reporting bias toward high yields. However, predicting yields using published reaction data remains elusive. To fill the gap, we built a data set on nickel-catalyzed cross-couplings extracted from organic reaction publications, including scope and optimization information. We demonstrate the importance of including optimization data as a source of failed experiments and emphasize how publication constraints shape the exploration of the chemical space by the synthetic community. While machine learning models still fail to perform out-of-sample predictions, this work shows that adding chemical knowledge enables fair predictions in a low-data regime. Eventually, we hope that this unique public database will foster further improvements of machine learning methods for reaction yield prediction in a more realistic context. Yield (engineering) ; Data set ; Context (archaeology) ; Chemistry ; Machine learning ; Chemical space ; Scope (computer science) ; Small data ; Set (abstract data type) ; Artificial intelligence ; Ideal (ethics) ; Throughput ; Computer science ; Drug discovery Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Qin Hong | Xiaoyuan Wang | Yating Gao | Jian Lv | Binbin Chen | Da‐Wei Li | Ruo‐Can Qian
Source: Chemistry of Materials (article, 2022-01-17)
Field: Materials Science — Materials Chemistry

Customized Carbon Dots with Predictable Optical Properties Synthesized at Room Temperature Guided by Machine Learning Fluorescent carbon dots (CDs) have been increasingly used in fluorescence detection and imaging based on their tunable fluorescence (FL) and resistance to photobleaching. However, the fast and reliable design of fluorescent CDs with specific optical properties involves a number of factors, such as the concentration of precursors, reaction time, and solvents. Therefore, it is usually considered difficult to design CDs with favorable optical properties. Herein, we report an extreme gradient boosting (XGBoost) model for guiding the fabrication of CDs with high FL intensity and tunable emission from p-benzoquinone (PBQ) and ethylenediamine (EDA) in different solvents at room temperature. Among a variety of studied machine learning models, XGBoost shows the best performance in the field of material synthesis, with a prediction coefficient of determination (R2) higher than 0.96. The XGBoost model can effectively predict the optical properties of CDs, including the maximum FL intensity and emission centers. Guided by the XGBoost model, various green or blue fluorescent CDs with adjustable emission centers and solubility properties are designed and fabricated accurately. These CDs are successfully applied for Fe3+ detection, sustained drug release, whole-cell imaging, and poly(vinyl alcohol) (PVA) film preparation. These results suggest the great potential of the combination of machine learning and CD synthesis as an effective strategy to help researchers realize accurate selection of reasonable CDs with individual customized properties to achieve different goals. Fluorescence ; Materials science ; Ethylenediamine ; Solubility ; Photobleaching ; Vinyl alcohol ; Nanotechnology ; Polymer ; Chemistry ; Optics ; Organic chemistry Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Jizhou Jiang | Fangyi Li | Jing Zou | Song Liu | Jiamei Wang | Yilun Zou | Kun Xiang | Han Zhang | Guoyin Zhu | Yizhou Zhang | Xian‐Zhu Fu | Jyh‐Ping Hsu
Source: Science China Materials (article, 2022-10-13)
Field: Materials Science — Materials Chemistry

Three-dimensional MXenes heterostructures and their applications MXenes ; Materials science ; Heterojunction ; Nanotechnology ; Porosity ; Fabrication ; Optoelectronics ; Composite material MXene and MAX Phase Materials ; Graphene research and applications ; Graphene and Nanomaterials Applications
Authors: Kevin M. Wyss | Robert De Kleine | Rachel Couvreur | Alper Kızıltaş | Deborah F. Mielewski | James M. Tour
Source: Communications Engineering (article, 2022-05-26)
Field: Materials Science — Materials Chemistry

Upcycling end-of-life vehicle waste plastic into flash graphene Abstract Responsible disposal of vehicles at the end of life is a pressing environmental concern. In particular, waste plastic forms the largest proportion of non-recycled waste material from light-duty vehicles, and often ends up in a landfill. Here we report the upcycling of depolluted, dismantled and shredded end-of-life waste plastic into flash graphene using flash Joule heating. The synthetic process requires no separation or sorting of plastics and uses no solvents or water. We demonstrate the practical value of the graphene as a re-inforcing agent in automotive polyurethane foam composite, where its introduction leads to improved tensile strength and low frequency noise absorption properties. We demonstrate process continuity by upcycling the resulting foam composite back into equal-quality flash graphene. A prospective cradle-to-gate life cycle assessment suggests that our method may afford lower cumulative energy demand and water use, and a decrease in global warming potential compared to traditional graphene synthesis methods. Graphene ; Materials science ; Plastic waste ; Flash (photography) ; Composite number ; Waste management ; Composite material ; Environmental science ; Process engineering ; Nanotechnology ; Engineering Graphene research and applications ; Supercapacitor Materials and Fabrication ; Microplastics and Plastic Pollution
Authors: Dimitrios C. Zografopoulos | Odysseas Tsilipakos
Source: Materials Advances (article, 2022-11-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances in strongly resonant and gradient all-dielectric metasurfaces We provide a critical overview of recent advances in all-dielectric, strongly resonant and gradient metasurfaces, as their performance is pushed to the extreme in view of emerging flat-optics applications. Dielectric ; Physics ; Materials science ; Optics ; Optoelectronics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Abdulaziz A. Al‐Khedhairy | Rizwan Wahab
Source: Metals (article, 2022-01-14)
Field: Materials Science — Materials Chemistry

Silver Nanoparticles: An Instantaneous Solution for Anticancer Activity against Human Liver (HepG2) and Breast (MCF-7) Cancer Cells Cancer is a cataclysmic disease that affects not only the target organ, but also the whole body. Metal-based nanoparticles (NPs) have recently emerged as a better option for the treatment of this deadly disease. Accordingly, the present work describes a means to control the growth of cancer cells by using colloidal silver nanoparticles (AgNPs) processed via homemade solutions and the characterization of these materials. The AgNPs may become an instantaneous solution for the treatment of these deadly diseases and to minimize or remove these problems. The AgNPs exhibit excellent control of the growth rate of human liver (HepG2) and breast (MCF-7) cancer cells, even at a very low concentrations. The cytotoxic effects of AgNPs on HepG2 and MCF-7 cancer cells were dose dependent (2–200 μg/mL), as evaluated using MTT and NRU assays. The production of reactive oxygen species (ROS) was increased by 136% and 142% in HepG2 and MCF-7 cells treated with AgNPs, respectively. The quantitative polymerase chain reaction (qPCR) data for both cell types (HepG2 and MCF-7) after exposure to AgNPs showed up- and downregulation of the expression of apoptotic (p53, Bax, caspase-3) and anti-apoptotic (BCl2) genes; moreover, their roles were described. This work shows that NPs were successfully prepared and controlled the growth of both types of cancer cells. MCF-7 ; Cancer cell ; Apoptosis ; Silver nanoparticle ; Cancer ; Liver cancer ; Chemistry ; Reactive oxygen species ; Cytotoxicity ; Cytotoxic T cell ; Downregulation and upregulation ; MTT assay ; Cancer research ; Human breast ; Nanotechnology ; Molecular biology ; Biochemistry ; Nanoparticle ; Biology ; Materials science ; Medicine ; In vitro ; Internal medicine ; Gene Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Shampy Mansha | Parikshit Moitra | Xu Jia | Tobias W. W. Maß | Rasna Maruthiyodan Veetil | Xinan Liang | Shiqiang Li | Ramón Paniagua‐Domínguez | Arseniy I. Kuznetsov
Source: Light Science & Applications (article, 2022-05-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

High resolution multispectral spatial light modulators based on tunable Fabry-Perot nanocavities Spatial light modulators (SLMs) are the most relevant technology for dynamic wavefront manipulation. They find diverse applications ranging from novel displays to optical and quantum communications. Among commercial SLMs for phase modulation, Liquid Crystal on Silicon (LCoS) offers the smallest pixel size and, thus, the most precise phase mapping and largest field of view (FOV). Further pixel miniaturization, however, is not possible in these devices due to inter-pixel cross-talks, which follow from the high driving voltages needed to modulate the thick liquid crystal (LC) cells that are necessary for full phase control. Newly introduced metasurface-based SLMs provide means for pixel miniaturization by modulating the phase via resonance tuning. These devices, however, are intrinsically monochromatic, limiting their use in applications requiring multi-wavelength operation. Here, we introduce a novel design allowing small pixel and multi-spectral operation. Based on LC-tunable Fabry-Perot nanocavities engineered to support multiple resonances across the visible range (including red, green and blue wavelengths), our design provides continuous 2π phase modulation with high reflectance at each of the operating wavelengths. Experimentally, we realize a device with 96 pixels (~1 μm pitch) that can be individually addressed by electrical biases. Using it, we first demonstrate multi-spectral programmable beam steering with FOV~18° and absolute efficiencies exceeding 40%. Then, we reprogram the device to achieve multi-spectral lensing with tunable focal distance and efficiencies ~27%. Our design paves the way towards a new class of SLM for future applications in displays, optical computing and beyond. Liquid crystal on silicon ; Miniaturization ; Optics ; Pixel ; Spatial light modulator ; Materials science ; Optoelectronics ; Multispectral image ; Modulation (music) ; Dot pitch ; Phase modulation ; Phase (matter) ; High dynamic range ; Wavelength ; Reconfigurability ; Dynamic range ; Computer science ; Liquid-crystal display ; Physics ; Telecommunications ; Phase noise ; Nanotechnology Metamaterials and Metasurfaces Applications ; Advanced Optical Imaging Technologies ; Orbital Angular Momentum in Optics
Authors: Shujun Zhang
Source: Microstructures (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

High entropy design: a new pathway to promote the piezoelectricity and dielectric energy storage in perovskite oxides Microstructures is an international peer-reviewed, open access, online journal. The journal of Microstructures publishes articles covering new research and developments, perspectives, and reviews related to the microstructures of materials, including, but not limited to metals and alloys, ceramics, polymers, composites, crystals, glasses, biomaterials, interfaces and nanomaterials. Microstructure ; Materials science ; Nanomaterials ; Ceramic ; Dielectric ; Perovskite (structure) ; Nanotechnology ; Energy storage ; Polymer ; Piezoelectricity ; Engineering physics ; Composite material ; Chemical engineering ; Optoelectronics ; Engineering ; Physics Ferroelectric and Piezoelectric Materials ; Microwave Dielectric Ceramics Synthesis ; Perovskite Materials and Applications
Authors: Marko Pavlović | Adél Szerlauth | Szabolcs Muráth | Gábor Varga | István Szilágyi
Source: Advanced Drug Delivery Reviews (review, 2022-10-29)
Field: Materials Science — Materials Chemistry

Surface modification of two-dimensional layered double hydroxide nanoparticles with biopolymers for biomedical applications Layered double hydroxides (LDHs) are appealing nanomaterials for (bio)medical applications and their potential is threefold. One can gain advantage of the structure of LDH frame (i.e., layered morphology), anion exchanging property towards drugs with acidic character and tendency for facile surface modification with biopolymers. This review focuses on the third aspect, as it is necessary to evaluate the advantages of polymer adsorption on LDH surfaces. Beside the short discussion on fundamental and structural features of LDHs, LDH-biopolymer interactions will be classified in terms of the effect on the colloidal stability of the dispersions. Thereafter, an overview on the biocompatibility and biomedical applications of LDH-biopolymer composite materials will be given. Finally, the advances made in the field will be summarized and future research directions will be suggested. Biopolymer ; Layered double hydroxides ; Biocompatibility ; Nanotechnology ; Hydroxide ; Surface modification ; Materials science ; Nanomaterials ; Polymer ; Adsorption ; Colloid ; Nanoparticle ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Engineering Layered Double Hydroxides Synthesis and Applications ; Inorganic Chemistry and Materials ; Bone Tissue Engineering Materials
Authors: Helena D. Pickford | Vasyl Ripenko | Ryan E. McNamee | Serhii Holovchuk | Amber L. Thompson | Russell C. Smith | Pavel K. Mykhailiuk | Edward A. Anderson
Source: Angewandte Chemie International Edition (article, 2022-10-13)
Field: Chemistry — Organic Chemistry

Rapid and Scalable Halosulfonylation of Strain‐Release Reagents** Sulfonylated aromatics are commonplace motifs in drugs and agrochemicals. However, methods for the direct synthesis of sulfonylated non-classical arene bioisosteres, which could improve the physicochemical properties of drug and agrochemical candidates, are limited. Here we report a solution to this challenge: a one-pot halosulfonylation of [1.1.1]propellane, [3.1.1]propellane and bicyclo[1.1.0]butanes that proceeds under practical, scalable and mild conditions. The sulfonyl halides used in this chemistry feature aryl, heteroaryl and alkyl substituents, and are conveniently generated in situ from readily available sulfinate salts and halogen atom sources. This methodology enables the synthesis of an array of pharmaceutically and agrochemically relevant halogen/sulfonyl-substituted bioisosteres and cyclobutanes, on up to multidecagram scale. Propellane ; Chemistry ; Benzazepines ; Halogen ; Combinatorial chemistry ; Sulfonyl ; Alkyl ; Reagent ; Bicyclic molecule ; Halide ; Organic chemistry Sulfur-Based Synthesis Techniques ; Radical Photochemical Reactions ; Chemical Synthesis and Reactions
Authors: Eszter Fazekas | Phoebe A. Lowy | Maisarah Abdul Rahman | Anna Lykkeberg | Yali Zhou | Raju Chambenahalli | Jennifer A. Garden
Source: Chemical Society Reviews (review, 2022-01-01)
Field: Materials Science — Biomaterials

Main group metal polymerisation catalysts With sustainability at the forefront of current polymerisation research, the typically earth-abundant, inexpensive and low-toxicity main group metals are attractive candidates for catalysis. Main group metals have been exploited in a broad range of polymerisations, ranging from classical alkene polymerisation to the synthesis of new bio-derived and degradable polyesters and polycarbonates <i>via</i> ring-opening polymerisation and ring-opening copolymerisation. This tutorial review highlights efficient polymerisation catalysts based on Group 1, Group 2, Zn and Group 13 metals. Key mechanistic pathways and catalyst developments are discussed, including tailored ligand design, heterometallic cooperativity, bicomponent systems and careful selection of the polymerisation conditions, all of which can be used to fine-tune the metal Lewis acidity and the metal-alkyl bond polarity. Group (periodic table) ; Polymerization ; Catalysis ; Metal ; Main group element ; Chemistry ; Polymer chemistry ; Organic chemistry ; Transition metal ; Polymer biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Organometallic Complex Synthesis and Catalysis
Authors: Xuehao Sun | Jian Yang | Lichao Sun | Guizeng Yang | Chuang Liu | Yunlong Tao | Qingqing Cheng | Chen Wang | Hongxing Xu | Qingfeng Zhang
Source: ACS Nano (article, 2022-10-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tunable Reversal of Circular Dichroism in the Seed-Mediated Growth of Bichiral Plasmonic Nanoparticles Plasmonic nanoparticles with an intrinsic chiral structure have emerged as a promising chiral platform for applications in biosensing, medicine, catalysis, separation, and photonics. Quantitative understanding of the correlation between nanoparticle structure and optical chirality becomes increasingly important but still represents a significantly challenging task. Here we demonstrate that tunable signal reversal of circular dichroism in the seed-mediated chiral growth of plasmonic nanoparticles can be achieved through the hybridization of bichiral centers without inverting the geometric chirality. Both experimental and theoretical results demonstrated the opposite sign of circular dichroism of two different bichiral geometries. Chiral molecules were found to not only contribute to the chirality transfer from molecules to nanoparticles but also manipulate the structural evolution of nanoparticles that synergistically drive the formation of two different chiral centers. By deliberately adjusting the concentration of chiral molecules and other synthetic parameters, such as the reducing agent concentration, the capping surfactant concentration, and the amount of Au precursor, we have been able to fine-tune the circular dichroism reversal of bichiral Au nanoparticles. We further demonstrate that the structure of chiral molecules and the crystal structure of Au seeds play crucial roles in the formation of Au nanoparticles with bichiral centers. The insights gained from this work not only shed light on the underlying mechanisms dictating the intriguing geometric and chirality evolution of bichiral plasmonic nanoparticles but also provide an important knowledge framework that guides the rational design of bichiral plasmonic nanostructures toward chiroptical applications. Circular dichroism ; Chirality (physics) ; Nanoparticle ; Plasmon ; Materials science ; Plasmonic nanoparticles ; Molecule ; Nanotechnology ; Rational design ; Chemical physics ; Chemistry ; Crystallography ; Optoelectronics ; Organic chemistry ; Symmetry breaking ; Physics ; Chiral symmetry breaking Metamaterials and Metasurfaces Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research
Authors: Elisabetta Mazzotta | Tiziano Di Giulio | Cosimino Malitesta
Source: Analytical and Bioanalytical Chemistry (review, 2022-03-12)
Field: Chemistry — Analytical Chemistry

Electrochemical sensing of macromolecules based on molecularly imprinted polymers: challenges, successful strategies, and opportunities Looking at the literature focused on molecularly imprinted polymers (MIPs) for protein, it soon becomes apparent that a remarkable increase in scientific interest and exploration of new applications has been recorded in the last several years, from 42 documents in 2011 to 128 just 10 years later, in 2021 (Scopus, December 2021). Such a rapid threefold increase in the number of works in this field is evidence that the imprinting of macromolecules no longer represents a distant dream of optimistic imprinters, as it was perceived until only a few years ago, but is rapidly becoming an ever more promising and reliable technology, due to the significant achievements in the field. The present critical review aims to summarize some of them, evidencing the aspects that have contributed to the success of the most widely used strategies in the field. At the same time, limitations and drawbacks of less frequently used approaches are critically discussed. Particular focus is given to the use of a MIP for protein in the assembly of electrochemical sensors. Sensor design indeed represents one of the most active application fields of imprinting technology, with electrochemical MIP sensors providing the broadest spectrum of protein analytes among the different sensor configurations. Molecularly imprinted polymer ; Nanotechnology ; Molecular imprinting ; Electrochemistry ; Macromolecule ; Polymer ; Chemistry ; Polymer science ; Materials science ; Organic chemistry ; Catalysis ; Electrode ; Physical chemistry ; Selectivity Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors