jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jennifer Guergues | Jessica Wohlfahrt | Stanley M. Stevens
Source: Journal of Proteome Research (article, 2022-07-24)
Field: Chemistry — Spectroscopy

Enhancement of Proteome Coverage by Ion Mobility Fractionation Coupled to PASEF on a TIMS–QTOF Instrument Trapped ion-mobility spectrometry (TIMS) was used to fractionate ions in the gas phase based on their ion mobility (V s/cm<sup>2</sup>), followed by parallel accumulation-serial fragmentation (PASEF) using a quadrupole time-of-flight instrument to determine the effect on the depth of proteome coverage. TIMS fractionation (up to four gas-phase fractions) coupled to data-dependent acquisition (DDA)-PASEF resulted in the detection of ∼7000 proteins and over 70,000 peptides overall from 200 ng of human (HeLa) cell lysate per injection using a commercial 25 cm ultra high performance liquid chromatography (UHPLC) column with a 90 min gradient. This result corresponded to ∼19 and 30% increases in protein and peptide identifications, respectively, when compared to a default, single-range TIMS DDA-PASEF analysis. Quantitation precision was not affected by TIMS fractionation as demonstrated by the average and median coefficient of variation values that were less than 4% upon label-free quantitation of technical replicates. TIMS fractionation was utilized to generate a DDA-based spectral library for downstream data-independent acquisition (DIA) analysis of lower sample input using a shorter LC gradient. The TIMS-fractionated library, consisting of over 7600 proteins and 82,000 peptides, enabled the identification of ∼4000 and 6600 proteins from 10 and 200 ng of human (HeLa) cell lysate input, respectively, with a 20 min gradient, single-shot DIA analysis. Data are available in ProteomeXchange: identifier PXD033129. Fractionation ; Chromatography ; Chemistry ; Proteome ; Analytical Chemistry (journal) ; Ion-mobility spectrometry ; Coefficient of variation ; Mass spectrometry ; Biochemistry Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Analytical Chemistry and Chromatography
Authors: Diego Stéfani T. Martinez | Laura‐Jayne A. Ellis | Gabriela H. Da Silva | Romana Petry | Aline Maria Zigiotto de Medeiros | Hossein Hayat Davoudi | Anastasios G. Papadiamantis | A. Fazzio | Antreas Afantitis | Georgia Melagraki | Iseult Lynch
Source: Nano Today (article, 2022-02-18)
Field: Materials Science — Materials Chemistry

Daphnia magna and mixture toxicity with nanomaterials – Current status and perspectives in data-driven risk prediction The aquatic ecosystem is the final destination of most industrial residues and agrochemicals resulting in organisms being exposed to a complex mixture of contaminants. Nanomaterials (NMs) are being increasingly applied in many technologies and industrial sectors, so there is an increasing concern about the negative impacts of NMs in the environment after their interaction with co-contaminants. Consequently, mixture toxicology has been gaining attention in nanotoxicology recently. Usually, mixture toxicity or combined toxicity is estimated from the individual effects of the chemicals using the mathematical models of concentration addition (CA) or independent action (IA), however these models do not account for metabolic interactions between the chemicals, when they act in related metabolic pathways and molecular targets. As NMs unique physico-chemical properties make them highly reactive with a high surface area for adsorption, those models may not realistically estimate the toxicological effects of mixtures containing NMs. The co-exposition of NMs and other environmental contaminants (e.g., organic pollutants and heavy metals) may cause different mixture effects such as addition, synergism, antagonism, or even other complicated responses, including altered toxicokinetics/toxicodynamics, which vary according to the individual components properties, environmental exposure conditions, and the biological system. Therefore, the large number of factors that may influence the toxicity of a NM and contaminant mixture makes NMs mixture risk assessment a complex task. Daphnia magna are one of the most commonly used model species in nanotoxicology, including in mixture studies. It’s advantages include short generation time, small body sizes, ability to produce large populations rapidly, coupled with its completely mapped genome which allows the use of a multitude of omics techniques to understand the stress responses of daphnids to NMs and chemicals. Here, we analyse the toxicological effects of NMs and contaminant mixtures using Daphnia as a model organism, and discuss future perspectives for NMs-mixtures risk assessment focusing on harmonization of methodologies and application of data-driven science in mixture ecotoxicology. Daphnia magna ; Toxicodynamics ; Nanotoxicology ; Toxicokinetics ; Environmental chemistry ; Toxicity ; Pollutant ; Biochemical engineering ; Contamination ; Ecotoxicology ; Environmental science ; Chemistry ; Toxicology ; Biology ; Ecology Nanoparticles: synthesis and applications ; Electrochemical Analysis and Applications ; Environmental Toxicology and Ecotoxicology
Authors: Xi Li | Huiying Zheng | Jiehan Chen | Mengyuan Xu | Yan Bai | Tiantian Liu
Source: Molecules (article, 2022-05-29)
Field: Chemistry — Inorganic Chemistry

MIL-101 (Fe) @Ag Rapid Synergistic Antimicrobial and Biosafety Evaluation of Nanomaterials Metal-organic frameworks (MOFs), which have become popular in recent years as excellent carriers of drugs and biomimetic materials, have provided new research ideas for fighting pathogenic bacterial infections. Although various antimicrobial metal ions can be added to MOFs with physical methods, such as impregnation, to inhibit bacterial multiplication, this is inefficient and has many problems, such as an uneven distribution of antimicrobial ions in the MOF and the need for the simultaneous addition of large doses of metal ions. Here, we report on the use of MIL-101(Fe)@Ag with efficient metal-ion release and strong antimicrobial efficiency for co-sterilization. Fe-based MIL-101(Fe) was synthesized, and then Ag+ was uniformly introduced into the MOF by the substitution of Ag+ for Fe3+. Scanning electron microscopy, powder X-ray diffraction (PXRD) Fourier transform infrared spectroscopy, and thermogravimetric analysis were used to investigate the synthesized MIL-101(Fe)@Ag. The characteristic peaks of MIL-101(Fe) and silver ions could be clearly seen in the PXRD pattern. Comparing the diffraction peaks of the simulated PXRD patterns clearly showed that MIL-101(Fe) was successfully constructed and silver ions were successfully loaded into MIL-101(Fe) to synthesize an MOF with a bimetallic structure, that is, the target product MIL-101(Fe)@Ag. The antibacterial mechanism of the MOF material was also investigated. MIL-101(Fe)@Ag exhibited low cytotoxicity, so it has potential applications in the biological field. Overall, MIL-101(Fe)@Ag is an easily fabricated structurally engineered nanocomposite with broad-spectrum bactericidal activity. Thermogravimetric analysis ; Bimetallic strip ; Powder diffraction ; Materials science ; Nanomaterials ; Metal ions in aqueous solution ; Fourier transform infrared spectroscopy ; Nanocomposite ; Nuclear chemistry ; Metal ; Antimicrobial ; Nanotechnology ; Metal-organic framework ; Scanning electron microscope ; Chemical engineering ; Chemistry ; Crystallography ; Organic chemistry ; Metallurgy ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Advanced Nanomaterials in Catalysis
Authors: Ziheng Zhou | Hao Li | Wangyu Sun | Yijing He | Iñigo Liberal | Nader Engheta | Zhenghe Feng | Yue Li
Source: Light Science & Applications (article, 2022-07-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dispersion coding of ENZ media via multiple photonic dopants Epsilon-near-zero (ENZ) media are opening up exciting opportunities to observe exotic wave phenomena. In this work, we demonstrate that the ENZ medium comprising multiple dielectric photonic dopants would yield a comb-like dispersion of the effective permeability, with each magnetic resonance dominated by one specific dopant. Furthermore, at multiple frequencies of interest, the resonant supercouplings appearing or not can be controlled discretely via whether corresponding dopants are assigned or not. Importantly, the multiple dopants in the ENZ host at their magnetic resonances are demonstrated to be independent. Based on this platform, the concept of dispersion coding is proposed, where photonic dopants serve as "bits" to program the spectral response of the whole composite medium. As a proof of concept, a compact multi-doped ENZ cavity is fabricated and experimentally characterized, whose transmission spectrum is manifested as a multi-bit reconfigurable frequency comb. The dispersion coding is demonstrated to fuel a batch of innovative applications including dynamically tunable comb-like dispersion profiled filters, radio-frequency identification tags, etc. Dopant ; Materials science ; Photonics ; Optoelectronics ; Doping ; Dielectric ; Dispersion (optics) ; Optics ; Physics Metamaterials and Metasurfaces Applications ; Nonlinear Photonic Systems ; Orbital Angular Momentum in Optics
Authors: Sushanta K. Sethi | Rupam Gogoi | Akarsh Verma | Gaurav Manik
Source: Progress in Organic Coatings (article, 2022-08-01)
Field: Materials Science — Surfaces, Coatings and Films

How can the geometry of a rough surface affect its wettability? - A coarse-grained simulation analysis Wetting ; Materials science ; Contact angle ; Surface energy ; Superhydrophilicity ; Surface roughness ; Surface (topology) ; Composite material ; Surface finish ; Vinyl alcohol ; Polymer ; Geometry ; Mathematics Surface Modification and Superhydrophobicity ; Advanced Sensor and Energy Harvesting Materials ; Fluid Dynamics and Heat Transfer
Authors: Hongwei Li | Bingxu Cheng | Weichen Gao | Chunni Feng | Chongxing Huang | Yang Liu | Peng Lü | Hui Zhao
Source: Nanotechnology Reviews (article, 2022-01-01)
Field: Materials Science — Polymers and Plastics

Recent research progress and advanced applications of silica/polymer nanocomposites Abstract Silica (SiO 2 ) is one of the most promising inorganic nanofillers, and it has been widely used in the preparation of polymer nanocomposites due to its adjustable morphology, large specific surface area, and ease of functionalization. The surface modification, structural characteristics, and bonding mechanisms of SiO 2 are crucial in enhancing the overall performance of polymer nanocomposites. This review focuses on summarizing the recent progress made regarding the preparation and structure characterization methods, unique properties, and rheological behavior of SiO 2 /polymer nanocomposites. In addition, the latest applications of SiO 2 /polymer nanocomposites in coatings, smart devices, biomedicine, and environment are further explored. A comprehensive summary of the main challenges, opportunities, and perspectives regarding SiO 2 /polymer nanocomposites is also presented. Nanocomposite ; Materials science ; Surface modification ; Polymer ; Polymer nanocomposite ; Nanotechnology ; Characterization (materials science) ; Rheology ; Composite material ; Chemical engineering ; Engineering Polymer Nanocomposites and Properties ; Polymer Nanocomposite Synthesis and Irradiation ; biodegradable polymer synthesis and properties
Authors: Pascal Mindermann | Marta Gil Pérez | Jan Knippers | Götz T. Gresser
Source: Materials (article, 2022-05-01)
Field: Materials Science — Polymers and Plastics

Investigation of the Fabrication Suitability, Structural Performance, and Sustainability of Natural Fibers in Coreless Filament Winding Coreless filament winding is an emerging fabrication technology in the field of building construction with the potential to significantly decrease construction material consumption, while being fully automatable. Therefore, this technology could offer a solution to the increasing worldwide demand for building floor space in the next decades by optimizing and reducing the material usage. Current research focuses mainly on the design and engineering aspects while using carbon and glass fibers with epoxy resin; however, in order to move towards more sustainable structures, other fiber and resin material systems should also be assessed. This study integrates a selection of potential alternative fibers into the coreless filament winding process by adapting the fabrication equipment and process. A bio-based epoxy resin was introduced and compared to a conventional petroleum-based one. Generic coreless wound components were created for evaluating the fabrication suitability of selected alternative fibers. Four-point bending tests were performed for assessing the structural performance in relation to the sustainability of twelve alternative fibers and two resins. In this study, embodied energy and global warming potential from the literature were used as life-cycle assessment indexes to compare the material systems. Among the investigated fibers, flax showed the highest potential while bio-based resins are advisable at low fiber volume ratios. Fabrication ; Filament winding ; Epoxy ; Fiber ; Materials science ; Bending ; Embodied energy ; Mechanical engineering ; Composite material ; Sustainability ; Engineering ; Protein filament Natural Fiber Reinforced Composites ; Innovations in Concrete and Construction Materials ; Cellular and Composite Structures
Authors: Kseniya A. Bezlepkina | Sergey A. Milenin | N.G. Vasilenko | Aziz M. Muzafarov
Source: Polymers (review, 2022-06-14)
Field: Materials Science — Biomaterials

Ring-Opening Polymerization (ROP) and Catalytic Rearrangement as a Way to Obtain Siloxane Mono- and Telechelics, as Well as Well-Organized Branching Centers: History and Prospects PDMS telechelics are important both in industry and in academic research. They are used both in the free state and as part of copolymers and cross-linked materials. At present, the most important, practically used, and well-studied method for the preparation of such PDMS is diorganosiloxane ring-opening polymerization (ROP) in the presence of nucleophilic or electrophilic initiators. In our brief review, we reviewed the current advances in the field of obtaining polydiorganosiloxane telechelics and monofunctional PDMS, as well as well-organized branching centers by the ROP mechanism and catalytic rearrangement, one of the first and most important reactions in the polymer chemistry of silicones, which remains so at the present time. Siloxane ; Polymerization ; Branching (polymer chemistry) ; Nucleophile ; Ring-opening polymerization ; Polymer chemistry ; Electrophile ; Polymer ; Copolymer ; Materials science ; Catalysis ; Polymer science ; Chemistry ; Organic chemistry biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization ; Organometallic Complex Synthesis and Catalysis
Authors: Adesewa O. Maselugbo | Haley B. Harrison | Jeffrey R. Alston
Source: Journal of materials research/Pratt's guide to venture capital sources (review, 2022-08-12)
Field: Materials Science — Materials Chemistry

Boron nitride nanotubes: A review of recent progress on purification methods and techniques Abstract Boron nitride nanotubes (BNNTs) will be one of the most important materials of this century. Recent synthetic advances have made BNNTs viable candidates for advanced multifunctional materials. Like carbon nanotubes and graphene, BNNTs and h-BN have extraordinary physical properties. Unlike CNTs, BNNTs have a wideband gap; they are piezoelectric, have neutron radiation shielding capability, and can withstand degradation up to 1000 °C. BNNTs could be the next big leap for nanocomposite advanced applications; however, significant scientific challenges must be addressed. Predominantly, large-scale synthesis techniques are immature. Production products require careful characterization, analysis, and purification. Impurities such as boron, amorphous BN, and h-BN lead to difficulty studying chemical modification and translation of BNNT properties. This review synthesizes relevant literature and state-of-the-art techniques regarding purification methods of BNNTs, classified as physical, chemical, and multi-step techniques and their applications. The review also discusses BNNT synthesis methods and future research directions. Graphical abstract Boron nitride ; Materials science ; Nanotechnology ; Carbon nanotube ; Graphene ; Characterization (materials science) Boron and Carbon Nanomaterials Research ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Mei Ding | Li Tang | Xiaoshuang Ma | Caixia Song | Shuxin Wang
Source: Communications Chemistry (article, 2022-12-19)
Field: Materials Science — Materials Chemistry

Effects of ligand tuning and core doping of atomically precise copper nanoclusters on CO2 electroreduction selectivity Atomically precise nanoclusters (NCs) provide opportunities for correlating the structure and electrocatalytic properties at atomic level. Herein, we report the single-atom doping effect and ligand effect on CO<sub>2</sub> electroreduction (eCO<sub>2</sub>RR) by comparing monogold-doped Au<sub>1</sub>Cu<sub>24</sub> and homocopper Cu<sub>25</sub> NCs protected by triphenylphosphine or/and tris(4-fluorophenyl)phosphine. Catalytic results revealed that the electronic distribution of Cu<sub>25</sub> NCs is enormously contracted by doping Au atoms, entitling it to exhibit the unique inhibition of hydrogen evolution reaction. And the inductive effect of ligand strongly favors the formation of formate in eCO<sub>2</sub>RR. Overall, this work will provide guidance for the rational design of the copper-based catalysts in the eCO<sub>2</sub>RR. Nanoclusters ; Doping ; Phosphine ; Copper ; Ligand (biochemistry) ; Selectivity ; Triphenylphosphine ; Catalysis ; Materials science ; Formate ; Atom (system on chip) ; Chemistry ; Inorganic chemistry ; Crystallography ; Photochemistry ; Nanotechnology ; Optoelectronics ; Organic chemistry ; Metallurgy Nanocluster Synthesis and Applications ; CO2 Reduction Techniques and Catalysts ; Advanced Nanomaterials in Catalysis
Authors: Amirmostafa Amirjani | Ted V. Tsoulos | Sayyed Hashem Sajjadi | Alessandra Antonucci | Shang-Jung Wu | Giulia Tagliabue | Davoud Fatmehsari Haghshenas | Ardemis A. Boghossian
Source: Carbon (article, 2022-03-18)
Field: Materials Science — Materials Chemistry

Plasmon-induced near-infrared fluorescence enhancement of single-walled carbon nanotubes Single-walled carbon nanotubes (SWCNTs) emit near-infrared (NIR) fluorescence that is ideal for optical sensing. However, the low quantum yields diminish the sensor’s signal-to-noise ratio and limits the penetration depths for in vivo measurements. In this study, we perform a systematic investigation of the plasmonic effects of Ag and Au nanoparticles of various geometries to tune and even enhance the fluorescence intensity of single-stranded DNA-wrapped SWCNTs (ssDNA-SWCNTs). We observe a chirality-dependent NIR fluorescence enhancement that varies with both nanoparticle shape and material, with Au nanorods increasing (7, 5) and (7, 6) chirality emissions by 80% and 60% and Ag nanotriangles increasing (7, 5) and (6, 5) emissions by 200% and 240%, respectively. The chirality-dependent enhancement was modeled using finite element modeling (FEM), which confirms contributions not only from a plasmon-induced localized increase in electron density but also from the radiative recombination of dark exciton states from the resulting electromagnetic field. Finally, we demonstrate the application of these nanoparticles in enhancing the single-molecule fluorescence of individual SWCNTs imaged in a custom-built confocal setup. The plasmonically coupled sensors show four orders of magnitude greater sensitivity towards ferricyanide, a model analyte, compared to the non-coupled sensors. Plasmonic nanoparticles thus provide a tunable means of modulating SWCNT fluorescence to study fundamental transitions of otherwise forbidden states and to improve the optical sensing performance. Carbon nanotube ; Plasmon ; Materials science ; Fluorescence ; Infrared ; Nanotechnology ; Optoelectronics ; Optics ; Physics Carbon Nanotubes in Composites ; Nanowire Synthesis and Applications ; Nonlinear Optical Materials Studies
Authors: Sebastian Wolf | Domenico Di Sante | Tilman Schwemmer | Ronny Thomale | Stephan Rachel
Source: Physical Review Letters (article, 2022-04-22)
Field: Materials Science — Materials Chemistry

Triplet Superconductivity from Nonlocal Coulomb Repulsion in an Atomic Sn Layer Deposited onto a Si(111) Substrate Atomic layers deposited on semiconductor substrates introduce a platform for the realization of the extended electronic Hubbard model, where the consideration of electronic repulsion beyond the on-site term is paramount. Recently, the onset of superconductivity at 4.7 K has been reported in the hole-doped triangular lattice of tin atoms on a silicon substrate. Through renormalization group methods designed for weak and intermediate coupling, we investigate the nature of the superconducting instability in hole-doped Sn/Si(111). We find that the extended Hubbard nature of interactions is crucial to yield triplet pairing, which is f-wave (p-wave) for moderate (higher) hole doping. In light of persisting challenges to tailor triplet pairing in an electronic material, our finding promises to pave unprecedented ways for engineering unconventional triplet superconductivity. Superconductivity ; Pairing ; Condensed matter physics ; Doping ; Tin ; Coulomb ; Lattice (music) ; Substrate (aquarium) ; Semiconductor ; Physics ; Materials science ; Quantum mechanics Electronic and Structural Properties of Oxides ; Physics of Superconductivity and Magnetism ; Surface and Thin Film Phenomena
Authors: Hong Tang | Bimal Neupane | Santosh Neupane | Shiqi Ruan | Niraj K. Nepal | Adrienn Ruzsinszky
Source: Scientific Reports (article, 2022-02-22)
Field: Materials Science — Materials Chemistry

Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons The large tunability of band gaps and optical absorptions of armchair MoS<sub>2</sub> nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe-Salpeter equation approaches. We find that there are three critical bending curvatures, and the non-edge and edge band gaps generally show a non-monotonic trend with bending. The non-degenerate edge gap splits show an oscillating feature with ribbon width n, with a period [Formula: see text], due to quantum confinement effects. The complex strain patterns on the bent nanoribbons control the varying features of band structures and band gaps that result in varying exciton formations and optical properties. The binding energy and the spin singlet-triplet split of the exciton forming the lowest absorption peak generally decrease with bending curvatures. The large tunability of optical properties of bent MoS<sub>2</sub> nanoribbons is promising and will find applications in tunable optoelectronic nanodevices. Bent molecular geometry ; Band gap ; Absorption (acoustics) ; Optoelectronics ; Materials science ; Optics ; Physics 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; MXene and MAX Phase Materials