jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yifan Zhang | Liangtao Liu | Jinxiang Wang | Teng Ma | Kun Liu | Xiwen Chen
Source: Physics of Fluids (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

Deformation characteristics of a ring-stiffened cylindrical shell induced by shock waves and coalesced bubbles in double-charge underwater explosions This study investigates the deformation characteristics of a ring-stiffened cylindrical shell induced by shock waves and coalesced bubbles in double-charge underwater explosions. A numerical model for coupling underwater multi-point explosion loads with the cylindrical shell is established by the Arbitrary Lagrange Euler method, and underwater explosion experiments with double charges are also conducted. The numerical model's effectiveness is validated by comparing shock wave superposition characteristics, bubble coalescence processes, and bubble pulsation periods with the experimental results. Based on the numerical model, the influences of detonation intervals and layout angles of charge on shock wave superposition effects, temporal and spatial distribution characteristics of shock waves, and the evolution process of coalesced bubbles in underwater explosions with double charges are explored. Additionally, the deformation characteristics of cylindrical shells induced by shock waves and coalesced bubbles for double charges with different detonation intervals and layout angles of charge are analyzed. The results indicate that double charges can induce more substantial deformation on the cylindrical shell at a specific detonation interval than a single charge with equal total mass. During the shock wave phase, the cylindrical shell's deformation decreases nonlinearly with an increased layout angle. Conversely, during the bubble load phase, the deformation of the cylindrical shell shows an approximately linear decrease with an increase in layout angle. A critical angle exists, below which the impact of double charges on the cylindrical shell is more substantial when detonated with an interval than simultaneous detonation. Physics ; Shock wave ; Underwater ; Shell (structure) ; Deformation (meteorology) ; Underwater explosion ; Mechanics ; Shock (circulatory) ; Charge (physics) ; Classical mechanics ; Composite material ; Meteorology Ultrasound and Cavitation Phenomena ; Combustion and Detonation Processes ; Energetic Materials and Combustion
Authors: Alejandro J. Brenes
Source: Journal of Proteome Research (review, 2024-11-22)
Field: Chemistry — Spectroscopy

Calculating and Reporting Coefficients of Variation for DIA-Based Proteomics The coefficient of variation (CV) is a measure that is frequently used to assess data dispersion for mass spectrometry-based proteomics. In the current era of burgeoning technical developments, there has been an increased focus on using CVs to measure the quantitative precision of new methods. Thus, it has also become important to define a set of guidelines on how to calculate and report the CVs. This perspective shows the effects that the CV equation, data normalization as well as software parameters, can have on data dispersion and CVs, highlighting the importance of reporting all these variables within the methods section. It also proposes a set of recommendations to calculate and report CVs for technical studies, where the main objective is to benchmark technical developments with a focus on precision. To assist in this process, a novel R package to calculate CVs (proteomicsCV) is also included. Normalization (sociology) ; Data set ; Computer science ; Benchmark (surveying) ; Data mining ; Set (abstract data type) ; Artificial intelligence Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Mass Spectrometry Techniques and Applications
Authors: Sriyanjali Bathula | Swathi Thottathil | Yashoda Malgar Puttaiahgowda
Source: Macromolecular Materials and Engineering (article, 2024-11-27)
Field: Chemistry — Inorganic Chemistry

MOFs and MOF‐Based Composites for the Adsorptive Removal of Ciprofloxacin Abstract In spite of greater efforts to address antibiotic resistance, Ciprofloxacin (CIP) buildup in the aqueous medium continues to rise. The negative effects of CIP on the environment can be minimized through a comprehensive understanding of the technological advancements in removal techniques. The exploration of adsorbents like metal–organic frameworks (MOFs), activated carbon, porous organic polymers, etc., have found major usage in the adsorptive removal of antibiotics to tackle contamination. This study aims to compare the MOF‐based adsorbents and provide a guide to developing such materials for the successful removal of CIP. The isotherm models of the adsorbents are studied using Langmuir, Freundlich, Temkin, and Sips isotherms. Furthermore, pseudo‐second‐order, pseudo‐first order, intra‐particle diffusion, and Elovich models are used to study the kinetic models. The major mechanisms of adsorption, such as π – π interactions, H‐bonding, electrostatic interactions, hydrophobic interactions, and pore filling, are also analyzed. This study contributes to the future scope for the development of these MOFs for further exploration and applications in environmental remediation. Adsorption ; Freundlich equation ; Materials science ; Metal-organic framework ; Langmuir ; Activated carbon ; Environmental remediation ; Aqueous solution ; Porosity ; Chemical engineering ; Contamination ; Composite material ; Organic chemistry ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Adsorption and biosorption for pollutant removal
Authors: Tong Wang | Chengning Yao | Rongli Gao | Martin Holicky | Beier Hu | Sihui Liu | S. C. Wu | Hyunho Kim | Haoqing Ning | Felice Torrisi | Artem A. Bakulin
Source: Nano Letters (article, 2024-11-22)
Field: Materials Science — Materials Chemistry

Ultrafast Carrier and Lattice Cooling in Ti<sub>2</sub>CT<sub><i>x</i></sub> MXene Thin Films Metallic MXenes are promising two-dimensional materials for energy storage, (opto)electronics, and photonics due to their high electrical conductivity and strong light-matter interaction. Energy dissipation in MXenes is fundamental for photovoltaic and photothermal applications. Here we apply ultrafast laser spectroscopy across a broad time range (femto- to microseconds) to study the cooling dynamics of electrons and lattice in emerging Ti<sub>2</sub>CT<sub><i>x</i></sub> thin films compared to widely studied Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> thin films. The carrier cooling time in Ti<sub>2</sub>CT<sub><i>x</i></sub> is persistently ∼2.6 ps without a hot-phonon bottleneck. After hot carrier cooling is completed, the transient absorption spectra of Ti<sub>2</sub>CT<sub><i>x</i></sub> MXene can be described well by the thermochromic effect. Heat dissipation in MXene thin films occurs over hundreds of nanoseconds with thermal diffusivities ∼0.06 mm<sup>2</sup> s<sup>-1</sup> for Ti<sub>2</sub>CT<sub><i>x</i></sub> and ∼0.02 mm<sup>2</sup> s<sup>-1</sup> for Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>, likely due to inefficient interflake heat transfer. Our results unravel the energy dissipation dynamics in Ti<sub>2</sub>CT<sub><i>x</i></sub> films, showcasing potential applications in energy conversion. Ultrashort pulse ; MXenes ; Materials science ; Photonics ; Optoelectronics ; Microsecond ; Electron ; Dissipation ; Photothermal therapy ; Laser ; Spectroscopy ; Thin film ; Condensed matter physics ; Chemical physics ; Nanotechnology ; Optics ; Physics MXene and MAX Phase Materials ; 2D Materials and Applications ; Perovskite Materials and Applications
Authors: W. M. Youssef | Ahmed M. Masoud | M. M. El-Maadawy | Y. M. Khawassek
Source: Journal of Radioanalytical and Nuclear Chemistry (article, 2024-04-01)
Field: Chemistry — Inorganic Chemistry

Uranium (VI) sorption from aqueous solution using commercial anion exchange resins; kinetics, isotherm, and thermodynamic investigations Abstract Commercial strong anion exchange resins provided by Purolite, namely MTA4801PF, and MTA4601PFSO4, were utilized for extracting uranium from sulfate leach liquor. The study focused on investigating the kinetics, isotherms, and thermodynamics of the sorption process. Both resins demonstrated similar kinetics and isotherm performance, with sorption capacities of approximately 66 and 71 mg g −1 respectively. The sorption process was proven to be endothermic, feasible, and spontaneous, and U(VI) desorption of around 95% was achieved using 0.5 M sulfuric acid. Commercial resins showed excellent sorption performance when applied to sulfate leach liquor of Egyptian ores despite the complexity of the solution. Sorption ; Aqueous solution ; Uranium ; Kinetics ; Ion exchange ; Chemistry ; Ion-exchange resin ; Sorption isotherm ; Ion ; Nuclear chemistry ; Inorganic chemistry ; Materials science ; Adsorption ; Organic chemistry ; Metallurgy ; Physics Radioactive element chemistry and processing ; Extraction and Separation Processes ; Chemical Synthesis and Characterization
Authors: Ye Yuan | Zhikun Zeng | Yi Xing | Houfei Yuan | Shuyang Zhang | Walter Kob | Yujie Wang
Source: Nature Communications (article, 2024-05-08)
Field: Materials Science — Materials Chemistry

From creep to flow: Granular materials under cyclic shear When unperturbed, granular materials form stable structures that resemble the ones of other amorphous solids like metallic or colloidal glasses. Whether or not granular materials under shear have an elastic response is not known, and also the influence of particle surface roughness on the yielding transition has so far remained elusive. Here we use X-ray tomography to determine the three-dimensional microscopic dynamics of two granular systems that have different roughness and that are driven by cyclic shear. Both systems, and for all shear amplitudes Γ considered, show a cross-over from creep to diffusive dynamics, indicating that rough granular materials have no elastic response and always yield, in stark contrast to simple glasses. For the system with small roughness, we observe a clear dynamic change at Γ ≈ 0.1, accompanied by a pronounced slowing down and dynamical heterogeneity. For the large roughness system, the dynamics evolves instead continuously as a function of Γ. We rationalize this roughness dependence using the potential energy landscape of the systems: The roughness induces to this landscape a micro-corrugation with a new length scale, whose ratio over the particle size is the relevant parameter. Our results reveal the unexpected richness in relaxation mechanisms for real granular materials. Materials science ; Surface finish ; Granular material ; Creep ; Shear (geology) ; Surface roughness ; Length scale ; Amorphous solid ; Mechanics ; Composite material ; Physics ; Crystallography ; Chemistry Material Dynamics and Properties ; Granular flow and fluidized beds ; Pickering emulsions and particle stabilization
Authors: Dmitri Fabrikov | Ágnes Timea Varga | María Carmen Vargas García | Péter Bélteky | Gábor Kozma | Zoltán Kónya | Josefa L. López Martínez | Fernando Barroso | María José Sánchez‐Muros
Source: Environmental Science and Pollution Research (article, 2024-01-23)
Field: Materials Science — Biomaterials

Antimicrobial and antioxidant activity of encapsulated tea polyphenols in chitosan/alginate-coated zein nanoparticles: a possible supplement against fish pathogens in aquaculture Regulation of antibiotic use in aquaculture calls for the emergence of more sustainable alternative treatments. Tea polyphenols (GTE), particularly epigallocatechin gallate (EGCG), have various biological activities. However, tea polyphenols are susceptible to degradation. In this work, EGCG and GTE were encapsulated in zein nanoparticles (ZNP) stabilized with alginate (ALG) and chitosan (CS) to reduce the degradation effect. ALG-coated ZNP and ALG/CS-coated ZNP encapsulating EGCG or GTE were obtained with a hydrodynamic size of less than 300 nm, an absolute ζ-potential value >30 mV, and an encapsulation efficiency greater than 75%. The antioxidant capacity of the encapsulated substances, although lower than that of the free ones, maintained high levels. On the other hand, the evaluation of antimicrobial activity showed greater efficiency in terms of growth inhibition for ALG/CS-ZNP formulations, with average overall values of around 60%, reaching an inhibition of more than 90% for Photobacterium damselae. These results support encapsulation as a good strategy for tea polyphenols, as it allows maintaining significant levels of antioxidant activity and increasing the potential for antimicrobial activity, in addition to increasing protection against sources of degradation. Antimicrobial ; Polyphenol ; Chitosan ; Antioxidant ; Aquaculture ; Ecotoxicology ; Fish <Actinopterygii> ; Food science ; Chemistry ; Biotechnology ; Biology ; Microbiology ; Fishery ; Biochemistry ; Environmental chemistry Nanocomposite Films for Food Packaging ; Tea Polyphenols and Effects ; Dyeing and Modifying Textile Fibers
Authors: Wisdom A. Munzeiwa | Bernard Owaga Omondi | Vincent O. Nyamori
Source: Polymer Bulletin (article, 2024-02-18)
Field: Materials Science — Biomaterials

A perspective into ring-opening polymerization of ε-caprolactone and lactides: effect of, ligand, catalyst structure and system dynamics, on catalytic activity and polymer properties Abstract Polylactic acid (PLAs) and polycaprolactones (PCLs) are emerging to be polyesters of choice because they are biodegradable and biocompatible. The industrial viable method currently used for their production is catalytic ring-opening polymerization (ROP) of their respective cyclic ester monomers. The catalyst is at the core of ROP chemical transformation and as such research is dedicated towards the innovation of more efficient and selective catalysts. Catalyst structural features greatly influence catalyst performance in ROP, and this review discusses the effects of ligand and catalyst structure and system dynamics, on catalytic activity and polymer properties. The effects of associated catalyst components such as initiating groups, ligand chirality, and stereochemical in relation to catalyst activity and polymer properties were also reviewed. The effects of metal nuclearity and catalyst flexibility on catalytic activity were also reviewed. The effect of solvent and temperature was briefly considered. Graphical abstract Catalysis ; Caprolactone ; Ring-opening polymerization ; Polymerization ; Polymer ; Materials science ; Ligand (biochemistry) ; Polymer chemistry ; Perspective (graphical) ; Ring (chemistry) ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Computer science ; Engineering biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis ; Advanced Polymer Synthesis and Characterization
Authors: Sarieh Momeni | Ramin Ghorbani‐Vaghei
Source: RSC Advances (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

A facile one-pot synthesis of tetrahydrobenzo[<i>b</i>]pyrans and 2-amino-4<i>H</i>-chromenes under green conditions This research developed a new nanocatalyst by incorporating nanocopper iodide onto the surface of a layered double hydroxides modified. This new nanocatalyst enables the green synthesis of tetrahydrobenzo[<i>b</i>]pyrans and 2-amino-4<i>H</i>-chromene derivatives through a one-pot, three-component reaction, demonstrating remarkable activity and selectivity. Key advantages of this method include increased products yield (86-96%), rapid reaction kinetics (5-23 minutes), low reaction temperature (40 °C), synthesis of new products, straightforward purification methods, catalyst recyclability (up to 4 cycles), and solvent-free conditions. Chemistry ; Iodide ; Layered double hydroxides ; One-pot synthesis ; Combinatorial chemistry ; Green chemistry ; Nuclear chemistry ; Organic chemistry ; Catalysis ; Ionic liquid Multicomponent Synthesis of Heterocycles ; Chemical Synthesis and Reactions ; Synthesis of Organic Compounds
Authors: Taiasean Wu | Joshua C. Yu | Arundhati Suresh | Zachary J. Gale-Day | Matthew G. Alteen | Amanda S. Woo | Zoe Millbern | Oleta T. Johnson | Emma C. Carroll | Carrie L. Partch | Denis Fourches | Nelson R. Vinueza | David J. Vocadlo | Jason E. Gestwicki
Source: Nature Biotechnology (article, 2024-05-14)
Field: Materials Science — Materials Chemistry

Protein-adaptive differential scanning fluorimetry using conformationally responsive dyes Chemistry ; Fluorescence ; Target protein ; Biophysics ; Protein stability ; Chemical biology ; Green fluorescent protein ; Combinatorial chemistry ; Computational biology ; Biochemistry ; Biology ; Gene Enzyme Structure and Function ; Protein Structure and Dynamics ; Advanced Proteomics Techniques and Applications
Authors: Akiyoshi Kuzume | Kimihisa Yamamoto
Source: Bulletin of the Chemical Society of Japan (article, 2024-02-29)
Field: Materials Science — Polymers and Plastics

Dendrimer-induced synthesis of subnano materials and their characterization: establishing atom hybrid science Abstract The precise molecular design of functional dendritic polymers enables the accumulation of multiple metals within a molecular cage. We have established a synthesizing methodology of metallodendrimers where the number of constituent atoms, the choice of elements, and the composition ratio were precisely controlled through an intramolecular Lewis acid-base interaction at each branch of phenylazomethine dendrons. Due to their inherent capsule effect, chemical reduction of metallodendrimers generates homogeneous subnanoparticles with a particle size of about 1 nm in diameter within the dendrimer cage. Fabricated subnanoparticles show amorphous crystal structures with distorted and fluctuated surface atoms and, with such a unique atomic structure, induce peculiar electronic states, surpassing unique and discrete physical and chemical properties of conventional nanoparticles and bulk metals. In this paper, we review the dendrimer-derived synthesis of atomic hybrid subnanoparticles and its research application established in our laboratory. Chemistry ; Dendrimer ; Characterization (materials science) ; Combinatorial chemistry ; Atom (system on chip) ; Nanotechnology ; Computational chemistry ; Organic chemistry Dendrimers and Hyperbranched Polymers ; Advanced biosensing and bioanalysis techniques ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Haojie Dai | Wan Yue
Source: Advanced Engineering Materials (article, 2024-03-16)
Field: Materials Science — Polymers and Plastics

n‐Type Organic Mixed Ionic‐Electronic Conductors for Organic Electrochemical Transistors n‐Type organic electrochemical transistors (OECTs) are fundamental building blocks of biosensors and complementary circuits along with p‐type. Yet, their development has been lagging behind their p‐type counterparts since first emergence in 2016. The key component of an OECT is the channel material, which is an organic mixed ionic‐electronic conductor (OMIEC), that dictates the function and performance of the OECT via interactions with electrolyte ions. OMIECs of OECTs are benchmarked by the product of charge‐carrier mobility ( μ ) and volumetric capacitance ( C * ), μC * . Significant progress is made for the development of novel n‐type OMIECs, with best μC * now reaching 180 F cm −1 V −1 s −1 . This review elucidates such material development progress of n‐type OMIECs with emphases on the underlying molecular design strategies and structure‐property relationships. Furthermore, the operational stability of channel materials and the applications of n‐type OECTs are also discussed to offer readers a comprehensive view of the field. Finally, current limitations are discussed along with outlook. Nanotechnology ; Materials science ; Transistor ; Bioelectronics ; Electrochemistry ; Electrolyte ; Ionic bonding ; Organic electronics ; Conductor ; Electrical conductor ; Biosensor ; Electrode ; Ion ; Chemistry ; Electrical engineering ; Voltage ; Engineering Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Sensor and Energy Harvesting Materials
Authors: Deng Long | Xinglin Yu | Wentao Li | Sihan Ma
Source: Materials Advances (article, 2024-10-08)
Field: Materials Science — Materials Chemistry

One bismuth three benefits: an overview of bismuth-based photocatalysts for energy conversion, environmental treatment and biomedical applications Modification strategies of impurity ion introduction, defect engineering, heterojunctions, morphological construction, and facet-oriented engineering have been reported to promote the photocatalytic activities of bismuth-based materials. Bismuth ; Environmental science ; Nanotechnology ; Materials science ; Metallurgy Anodic Oxide Films and Nanostructures ; Catalysis and Oxidation Reactions
Authors: Maryam Alsufyani | Benjamin Moss | Claudia E. Tait | William K. Myers | Maryam Shahi | Katherine Stewart | Xiaolei Zhao | Reem B. Rashid | Dilara Meli | Ruiheng Wu | Bryan D. Paulsen | Karl J. Thorley | Yuanbao Lin | Craig Combe | Charlie Kniebe‐Evans | Sahika Inal | Sang Young Jeong | Han Young Woo | Grant A. D. Ritchie | Ji‐Seon Kim | Jonathan Rivnay | Alexandra F. Paterson | James R. Durrant | Iain McCulloch
Source: Advanced Materials (article, 2024-09-02)
Field: Materials Science — Polymers and Plastics

The Effect of Organic Semiconductor Electron Affinity on Preventing Parasitic Oxidation Reactions Limiting Performance of n‐Type Organic Electrochemical Transistors A key challenge in the development of organic mixed ionic-electronic conducting materials (OMIEC) for high performance electrochemical transistors is their stable performance in ambient. When operating in aqueous electrolyte, potential reactions of the electrochemically injected electrons with air and water could hinder their persistence, leading to a reduction in charge transport. Here, the impact of deepening the LUMO energy level of a series of electron-transporting semiconducting polymers is evaluated, and subsequently rendering the most common oxidation processes of electron polarons thermodynamically unfavorable, on organic electrochemical transistors (OECTs) performance. Employing time resolved spectroelectrochemistry with three analogous polymers having varying electron affinities (EA), it is found that an EA below the thermodynamic threshold for oxidation of its electron polarons by oxygen significantly improves electron transport and lifetime in air. A polymer with a sufficiently large EA and subsequent thermodynamically unfavorable oxidation of electron polarons is reported, which is used as the semiconducting layer in an OECT, in its neutral and N-DMBI doped form, resulting in an excellent and air-stable OECT performance. These results show a general design methodology to avoid detrimental parasitic reactions under ambient conditions, and the benefits that arise in electrical performance. Polaron ; Materials science ; Transistor ; Chemical physics ; Ionic bonding ; HOMO/LUMO ; Electrochemistry ; Semiconductor ; Electron transport chain ; Organic semiconductor ; Electron affinity (data page) ; Electron ; Redox ; Conductive polymer ; Electrolyte ; Electron acceptor ; Chemical engineering ; Nanotechnology ; Polymer ; Optoelectronics ; Photochemistry ; Ion ; Physical chemistry ; Organic chemistry ; Chemistry ; Molecule ; Electrode ; Voltage ; Composite material Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced battery technologies research