jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nicola Cavallini | Lorenzo Strani | Pier Paolo Becchi | Valentina Pizzamiglio | S. Michelini | Francesco Savorani | Marina Cocchi | Caterina Durante
Source: Analytica Chimica Acta (article, 2023-08-28)
Field: Chemistry — Analytical Chemistry

Tracing the identity of Parmigiano Reggiano “Prodotto di Montagna - Progetto Territorio” cheese using NMR spectroscopy and multivariate data analysis A first identity profile for Parmigiano Reggiano "Prodotto di Montagna - Progetto Territorio" obtained by interpreting the metabolites signals in NMR spectroscopy was obtained. Our workflow and toolbox for generating the features dataset allows a more straightforward interpretation of the results, to overcome the limitations due to dimensionality and to peaks overlapping, but also to include the signals assignment and matching since the early stages of the data processing and analysis. Chemistry ; Multivariate statistics ; Chemometrics ; Multivariate analysis ; Analytical Chemistry (journal) ; Pattern recognition (psychology) ; Artificial intelligence ; Statistics ; Mathematics ; Chromatography ; Computer science Spectroscopy and Chemometric Analyses ; Metabolomics and Mass Spectrometry Studies ; Advanced Chemical Sensor Technologies
Authors: Mengyao Han | Mahdieh Joharifar | Muguang Wang | Richard Schatz | Rafael Puerta | Yan‐Ting Sun | Yuchuan Fan | G. Maisons | Johan Abautret | R. Teissier | Lu Zhang | Sandis Spolītis | Vjačeslavs Bobrovs | S. Lourdudoss | Xianbin Yu | Sergei Popov | Oskars Ozoliņš | Xiaodan Pang
Source: Journal of Lightwave Technology (article, 2023-06-20)
Field: Chemistry — Spectroscopy

High Spectral Efficiency Long-Wave Infrared Free-Space Optical Transmission With Multilevel Signals This study explores the potential of long-wave infrared free-space optical (FSO) transmission that leverages multilevel signals to attain high spectral efficiency. The FSO transmission system consists of a directly modulated-quantum cascade laser (DM-QCL) operating at 9.15 μm and a mercury cadmium telluride (MCT) detector. To fully understand the system, we conduct measurements on the DM-QCL chip and MCT detector and assess the overall amplitude response of the DM-QCL, MCT detector, and all electrical components. We apply various signals, including on-off keying (OOK), 4-level pulse amplitude modulation (PAM4), 6-level PAM (PAM6), and 8-level PAM (PAM8) to maximize the bit rate and spectral efficiency of the FSO transmission. Through a two-dimensional sweeping of the laser bias current and MCT detector photovoltage, we optimize the transmission performance. At the optimal operation point, the FSO system achieved impressive results which are up to 6 Gbaud OOK, 3.5 Gbaud PAM4, 3 Gbaud PAM6, and 2.7 Gbaud PAM8 signal transmissions, with a bit error rate performance below 6.25% overhead hard decision-forward error correction limit when the DM-QCL operates at 10°C. We also evaluate the eye diagrams and stability of the system to showcase its remarkable transmission performance. Our findings suggest that the DM-QCL and MCT detector-based FSO transceivers offer a highly competitive solution for the next generation of optical wireless communication systems. Detector ; Free-space optical communication ; Optics ; Transmission (telecommunications) ; Bit error rate ; Electronic engineering ; Mercury cadmium telluride ; Spectral efficiency ; Optical communication ; Pulse-amplitude modulation ; Optoelectronics ; Amplitude-shift keying ; Physics ; Computer science ; Telecommunications ; Engineering ; Phase-shift keying ; Pulse (music) Spectroscopy and Laser Applications ; Semiconductor Lasers and Optical Devices ; Optical Wireless Communication Technologies
Authors: G. Zullo | D. Pizzocri | L. Luzzi
Source: Journal of Nuclear Materials (article, 2023-09-19)
Field: Materials Science — Materials Chemistry

The SCIANTIX code for fission gas behaviour: Status, upgrades, separate-effect validation, and future developments SCIANTIX is a 0D, open-source code designed to model inert gas behaviour within nuclear fuel at the scale of the grain. The code predominantly employs mechanistic approaches based on kinetic rate-theory models to calculate engineering quantities, such as fission gas release and gaseous fuel swelling. Since its release, SCIANTIX has undergone significant improvements, including the incorporation of new modelling and numerical capabilities. The code architecture has been revamped, embracing an object-oriented structure improving the overall efficiency and usability. This work provides a concise overview of the current state of the SCIANTIX code, highlighting recent updates and advancements. Each SCIANTIX model is presented along with the corresponding separate-effect validation database, which is used to assess its accuracy and predictions. Code (set theory) ; Fission ; Computer science ; Source code ; Nuclear engineering ; Inert gas ; Work (physics) ; Nuclear physics ; Engineering ; Programming language ; Mechanical engineering ; Physics ; Neutron ; Chemical engineering Nuclear Materials and Properties ; Nuclear reactor physics and engineering ; Nuclear Engineering Thermal-Hydraulics
Authors: Xue Wang | Zhenjie Zhao | Meiyu Zhang | Yongri Liang | Ying Dan Liu
Source: International Journal of Molecular Sciences (review, 2023-07-19)
Field: Materials Science — Polymers and Plastics

Polyurethanes Modified by Ionic Liquids and Their Applications Polyurethane (PU) refers to the polymer containing carbamate groups in its molecular structure, generally obtained by the reaction of isocyanate and alcohol. Because of its flexible formulation, diverse product forms, and excellent performance, it has been widely used in mechanical engineering, electronic equipment, biomedical applications, etc. Through physical or chemical methods, ionic groups are introduced into PU, which gives PU electrical conductivity, flame-retardant, and antistatic properties, thus expanding the application fields of PU, especially in flexible devices such as sensors, actuators, and functional membranes for batteries and gas absorption. In this review, we firstly introduced the characteristics of PU in chemical and microphase structures and their related physical and chemical performance. To improve the performance of PU, ionic liquids (ILs) were applied in the processing or synthesis of PU, resulting in a new type of PU called ionic PU. In the following part of this review, we mainly summarized the fabrication methods of IL-modified PUs via physical blending and the chemical copolymerization method. Then, we summarized the research progress of the applications for IL-modified PUs in different fields, including sensors, actuators, transistors, antistatic films, etc. Finally, we discussed the future development trends and challenges faced by IL-modified PUs. Materials science ; Ionic liquid ; Isocyanate ; Antistatic agent ; Polyurethane ; Ionic bonding ; Polymer ; Fabrication ; Nanotechnology ; Chemical engineering ; Chemistry ; Organic chemistry ; Composite material ; Catalysis ; Ion Polymer composites and self-healing ; Carbon dioxide utilization in catalysis ; Advanced Sensor and Energy Harvesting Materials
Authors: Tianlong Han | Bi‐Fan Guo | Guodong Zhang | Long‐Cheng Tang
Source: Molecules (article, 2023-03-13)
Field: Materials Science — Polymers and Plastics

Facile Synthesis of Hollow Glass Microsphere Filled PDMS Foam Composites with Exceptional Lightweight, Mechanical Flexibility, and Thermal Insulating Property The feature of low-density and thermal insulation properties of polydimethylsiloxane (PDMS) foam is one of the important challenges of the silicone industry seeking to make these products more competitive compared to traditional polymer foams. Herein, we report a green, simple, and low-cost strategy for synthesizing ultra-low-density porous silicone composite materials via Si-H cross-linking and foaming chemistry, and the sialylation-modified hollow glass microspheres (m-HM) were used to promote the HM/PDMS compatibility. Typically, the presence of 7.5 wt% m-HM decreases the density of pure foam from 135 mg/cm<sup>-3</sup> to 104 mg/cm<sup>-3</sup> without affecting the foaming reaction between Si-H and Si-OH and produces a stable porous structure. The optimized m-HM-modified PDMS foam composites showed excellent mechanical flexibility (unchanged maximum stress values at a strain of 70% after 100 compressive cycles) and good thermal insulation (from 150.0 °C to 52.1 °C for the sample with ~20 mm thickness). Our results suggest that the use of hollow microparticles is an effective strategy for fabricating lightweight, mechanically flexible, and thermal insulation PDMS foam composite materials for many potential applications. Materials science ; Polydimethylsiloxane ; Composite material ; Glass microsphere ; Silicone ; Composite number ; Thermal insulation ; Porosity ; Syntactic foam ; Silicone resin ; Polymer ; Foaming agent ; Thermal ; Compressive strength ; Microsphere ; Chemical engineering Polymer Foaming and Composites ; Aerogels and thermal insulation ; Polymer composites and self-healing
Authors: Žiga Jelen | Marcin Krajewski | Franc Zupanič | Peter Majerič | Tilen Švarc | Ivan Anžel | Jernej Ekar | Sz‐Chian Liou | Jerzy Kubacki | Mateusz Tokarczyk | Rebeka Rudolf
Source: Nanotechnology Reviews (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Melting point of dried gold nanoparticles prepared with ultrasonic spray pyrolysis and lyophilisation Abstract A coupled process of ultrasonic spray pyrolysis and lyophilisation was used for the synthesis of dried gold nanoparticles. Two methods were applied for determining their melting temperature: uniaxial microcompression and differential scanning calorimetry (DSC) analysis. Uniaxial microcompression resulted in sintering of the dried gold nanoparticles at room temperature with an activation energy of 26–32.5 J/g, which made it impossible to evaluate their melting point. Using DSC, the melting point of the dried gold nanoparticles was measured to be around 1064.3°C, which is close to pure gold. The reason for the absence of a melting point depression in dried gold nanoparticles was their exothermic sintering between 712 and 908.1°C. Differential scanning calorimetry ; Melting point ; Materials science ; Exothermic reaction ; Sintering ; Nanoparticle ; Colloidal gold ; Melting-point depression ; Pyrolysis ; Chemical engineering ; Metallurgy ; Composite material ; Nanotechnology ; Chemistry ; Thermodynamics ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Qianyi Wang | Fei Fang | Qianjie Wang | Liangliang Sun
Source: PROTEOMICS (article, 2023-11-14)
Field: Chemistry — Spectroscopy

Capillary zone electrophoresis‐high field asymmetric ion mobility spectrometry‐tandem mass spectrometry for top‐down characterization of histone proteoforms Characterization of histone proteoforms with various post-translational modifications (PTMs) is critical for a better understanding of functions of histone proteoforms in epigenetic control of gene expression. Mass spectrometry (MS)-based top-down proteomics (TDP) is a valuable approach for delineating histone proteoforms because it can provide us with a bird's-eye view of histone proteoforms carrying diverse combinations of PTMs. Here, we present the first example of coupling capillary zone electrophoresis (CZE), ion mobility spectrometry (IMS), and MS for online multi-dimensional separations of histone proteoforms. Our CZE-high-field asymmetric waveform IMS (FAIMS)-MS/MS platform identified 366 (ProSight PD) and 602 (TopPIC) histone proteoforms from a commercial calf histone sample using a low microgram amount of histone sample as the starting material. CZE-FAIMS-MS/MS improved the number of histone proteoform identifications by about 3 folds compared to CZE-MS/MS alone (without FAIMS). The results indicate that CZE-FAIMS-MS/MS could be a useful tool for comprehensive characterization of histone proteoforms with high sensitivity. Histone ; Chemistry ; Ion-mobility spectrometry ; Mass spectrometry ; Tandem mass spectrometry ; Capillary electrophoresis ; Proteomics ; Epigenetics ; Chromatography ; Computational biology ; Biochemistry ; Biology ; Gene Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Robert M. Pankow | Brendan P. Kerwin | Yongjoon Cho | Seonghun Jeong | Giacomo Forti | Bryan Musolino | Changduk Yang | Antonio Facchetti | Tobin J. Marks
Source: Advanced Functional Materials (article, 2023-10-02)
Field: Materials Science — Polymers and Plastics

Enhanced Optical Contrast and Switching in Near‐Infrared Electrochromic Devices by Optimizing Conjugated Polymer Oligo(Ethylene Glycol) Sidechain Content and Gel Electrolyte Composition Abstract A detailed investigation addressing the effects of functionalizing conjugated polymers with oligo(ethylene glycol) (EG n ) sidechains on the performance and polymer‐electrolyte compatibility of electrochromic devices (ECDs) is reported. The electrochemistry for a series of donor‐acceptor copolymers having near‐infrared (NIR)‐optical absorption, where the donor fragment is 3,4‐ethylenedioxythiophene (EDOT) or an EG n functionalized bithiophene (g2T) and the acceptor fragment is diketopyrrolopyrrole (DPP) functionalized with branched alkyl or EG n sidechains, is extensively probed. ECDs are next fabricated and it is found that EG n sidechain incorporation must be finely balanced to promote polymer‐electrolyte compatibility and provide efficient ion exchange. Proper electrolyte‐cation pairing and polymer structural tuning affords a 2x increase in optical contrast (from 12% to 24%) and &gt;60x reduction in switching time (from 20 to 0.3 s). Atomic force microscopy (AFM)/grazing incidence wide‐angle X‐ray scattering (GIWAXS) characterization of the polymer film morphology/microstructure reveals that an over‐abundance of EG n sidechains generates large polymer crystallites, which can suppress ion exchange. Lastly, time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) indicates sidechain/electrolyte identity does not influence the electrolyte penetration depth into the films, and EG n sidechain inclusion increases electrolyte cation uptake. The material structural design insight and guidelines regarding the polymer‐electrolyte ion insertion/expulsion dynamics reported here should be of significant utility for developing next‐generation mixed ionic‐electronic conducting materials. Materials science ; Electrolyte ; Electrochromism ; Ethylene glycol ; Polymer ; Electrochromic devices ; Acceptor ; Conjugated system ; Chemical engineering ; Chemistry ; Physical chemistry ; Electrode Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Analytical Chemistry and Sensors
Authors: Liliana Lizarazo-Fonseca | Luz Correa-Araujo | Leonardo Prieto-Abello | Bernardo Camacho | Ingrid Silva-Cote
Source: Regenerative Therapy (article, 2023-05-30)
Field: Materials Science — Biomaterials

In vitro and in vivo evaluation of electrospun poly (ε-caprolactone)/collagen scaffolds and Wharton's jelly mesenchymal stromal cells (hWJ-MSCs) constructs as potential alternative for skin tissue engineering Dermal substitutes bear a high clinical demand because of their ability to promote the healing process of cutaneous wounds by reducing the healing time the appearance and improving the functionality of the repaired tissue. Despite the increasing development of dermal substitutes, most of them are only composed of biological or biosynthetic matrices. This demonstrates the need for new developments focused on using scaffolds with cells (tissue construct) that promote the production of factors for biological signaling, wound coverage, and general support of the tissue repair process. Here, we fabricate by electrospinning two scaffolds: poly(ε-caprolactone) (PCL) as a control and poly(ε-caprolactone)/collagen type I (PCol) in a ratio lower collagen than previously reported, 19:1, respectively. Then, characterize their physicochemical and mechanical properties. As we bear in mind the creation of a biologically functional construct, we characterize and assess <i>in vitro</i> the implications of seeding human Wharton's jelly mesenchymal stromal cells (hWJ-MSCs) on both scaffolds. Finally, to determine the potential functionality of the constructs <i>in vivo</i>, their efficiency was evaluated in a porcine biomodel. Our findings demonstrated that collagen incorporation in the scaffolds produces fibers with similar diameters to those in the human native extracellular matrix, increases wettability, and enhances the presence of nitrogen on the scaffold surface, improving cell adhesion and proliferation. These synthetic scaffolds improved the secretion of factors by hWJ-MSCs involved in skin repair processes such as b-FGF and Angiopoietin I and induced its differentiation towards epithelial lineage, as shown by the increased expression of Involucrin and JUP. <i>In vivo</i> experiments confirmed that lesions treated with the PCol/hWJ-MSCs constructs might reproduce a morphological organization that seems relatively equivalent to normal skin. These results suggest that the PCol/hWJ-MSCs construct is a promising alternative for skin lesions repair in the clinic. Mesenchymal stem cell ; Tissue engineering ; Extracellular matrix ; Wound healing ; Chemistry ; Cell biology ; Self-healing hydrogels ; Wharton's jelly ; Scaffold ; In vivo ; Stromal cell ; Biomedical engineering ; Immunology ; Biochemistry ; Cancer research ; Biotechnology ; Medicine ; Biology Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Silk-based biomaterials and applications
Authors: Bidesh Biswas | Sourav Rudra | Rahul Singh Rawat | Nidhi Pandey | Shashidhara Acharya | A. S. Joseph | Ashalatha Indiradevi Kamalasanan Pillai | Manisha Bansal | Muireann de h-Óra | Debendra Prasad Panda | Arka Bikash Dey | Florian Bertram | Chandrabhas Narayana | Judith L. MacManus‐Driscoll | Tuhin Maity | Magnus Garbrecht | Bivas Saha
Source: Physical Review Letters (article, 2023-09-22)
Field: Materials Science — Materials Chemistry

Magnetic Stress-Driven Metal-Insulator Transition in Strongly Correlated Antiferromagnetic CrN Traditionally, the Coulomb repulsion or Peierls instability causes the metal-insulator phase transitions in strongly correlated quantum materials. In comparison, magnetic stress is predicted to drive the metal-insulator transition in materials exhibiting strong spin-lattice coupling. However, this mechanism lacks experimental validation and an in-depth understanding. Here we demonstrate the existence of the magnetic stress-driven metal-insulator transition in an archetypal material, chromium nitride. Structural, magnetic, electronic transport characterization, and first-principles modeling analysis show that the phase transition temperature in CrN is directly proportional to the strain-controlled anisotropic magnetic stress. The compressive strain increases the magnetic stress, leading to the much-coveted room-temperature transition. In contrast, tensile strain and the inclusion of nonmagnetic cations weaken the magnetic stress and reduce the transition temperature. This discovery of a new physical origin of metal-insulator phase transition that unifies spin, charge, and lattice degrees of freedom in correlated materials marks a new paradigm and could lead to novel device functionalities. Condensed matter physics ; Materials science ; Antiferromagnetism ; Metal–insulator transition ; Phase transition ; Quantum phase transition ; Coulomb ; Lattice (music) ; Chromium nitride ; Metal ; Nitride ; Electron ; Nanotechnology ; Physics ZnO doping and properties ; Electronic and Structural Properties of Oxides ; 2D Materials and Applications
Authors: Sergio Fernández | Selwin Fernando | Oriol Planas
Source: Dalton Transactions (review, 2023-01-01)
Field: Chemistry — Organic Chemistry

Cooperation towards nobility: equipping first-row transition metals with an aluminium sword The exploration for noble metals substitutes in catalysis has become a highly active area of research, driven by the pursuit of sustainable chemical processes. Although the utilization of base metals holds great potential as an alternative, their successful implementation in predictable catalytic processes necessitates the development of appropriate ligands. Such ligands must be capable of controlling their intricate redox chemistry and promote two-electron events, thus mimicking well-established organometallic processes in noble metal catalysis. While numerous approaches for infusing nobility to base metals have been explored, metal-ligand cooperation has garnered significant attention in recent years. Within this context, aluminium-based ligands offer interesting features to fine-tune the activity of metal centres, but their application in base metal catalysis remains largely unexplored. This perspective seeks to highlight the most recent breakthroughs in the reactivity of heterobimetallic aluminium-base-metal complexes, while also showcasing their potential to develop novel and predictable catalytic transformations. By turning the spotlight on such heterobimetallic species, we aim to inspire chemists to explore aluminium-base-metal species and expand the range of their applications as catalysts. SWORD ; Transition metal ; Aluminium ; Reactivity (psychology) ; Materials science ; Catalysis ; Nanotechnology ; Chemistry ; Metallurgy ; Engineering ; Organic chemistry ; Mechanical engineering Organometallic Complex Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Coordination Chemistry and Organometallics
Authors: Hongfei Ma | Xiuhui Zheng | Hao Zhang | Guoyan Ma | Wei Zhang | Zheng Jiang | De Chen
Source: Advanced Science (article, 2023-01-19)
Field: Materials Science — Materials Chemistry

Atomic Cu‐N‐P‐C Active Complex with Integrated Oxidation and Chlorination for Improved Ethylene Oxychlorination Fine constructing the chemical environment of the central metal is vital in developing efficient single-atom catalysts (SACs). Herein, the atomically dispersed Cu on the N-doped carbon is modulated by introducing CuP moiety to CuNC SAC. Through fine-tuning with another heteroatom P, the Cu SAC shows the superior performance of ethylene oxychlorination. The Cu site activity of Cu-NPC is four times higher than the P-free Cu-NC catalyst and 25 times higher than the Ce-promoted CuCl<sub>2</sub> /Al<sub>2</sub> O<sub>3</sub> catalyst in the long-term test (>200 h). The selectivity of ethylene dichloride can be splendidly kept at ≈99%. Combined experimental and simulation studies provide a theoretical framework for the coordination of Cu, N, and P in the complex active center and its role in effectively catalyzing ethylene oxychlorination. It integrates the oxidation and chlorination reactions with superior catalytic performance and unrivaled ability of corrosive-HCl resistance. The concept of fine constructing with another heteroatom is anticipated to provide with inspiration for rational catalyst design and expand the applications of carbon-based SACs in heterogeneous catalysis. Heteroatom ; Ethylene ; Catalysis ; Moiety ; Copper ; Chemistry ; Rational design ; Selectivity ; Carbon fibers ; Metal ; Inorganic chemistry ; Materials science ; Organic chemistry ; Nanotechnology ; Ring (chemistry) Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Nanomaterials for catalytic reactions