jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yanyu Ma | Xueyou Qin | Hui Yan | Junjie Li | Chengwei Li | Mingke Lian | Xuemei Wei | Runpu Shen | Mingyang Chen | Kangli Li | Junbo Gong
Source: Crystals (article, 2023-07-30)
Field: Materials Science — Materials Chemistry

Research Progress in the Industrial Crystallization of Citrate—A Review The citrate industry has a wide range of applications in food, pharmaceutical, and other fields. As a common class of food additives and functional supplements with tremendous development potential and strong core competitiveness, particles with good powder characteristics and functionalization are becoming one of the primary directions in the evolution of citrate into the high-end market. This article reviews the primary citrate crystallization techniques and examines the fundamental citrate crystallization mechanisms by describing citrate nucleation and growth during the industrial crystallization process. A variety of citrate hydrates are also summarized. The primary control conditions of the three essential product indices of purity, particle size, and grain shape are established. The need to take into account the density, fluidity, caking resistance, dissolution rate, suspension, bioavailability, and other indices of products is highlighted, along with applications for products that meet the purity and particle size requirements. While summarizing industrial citrate crystallization equipment, this paper also discusses the beneficial effect of continuous crystallization in achieving industrialization. Finally, the future development of citrate crystals is anticipated, and it is suggested that the combination of basic research and application research should be strengthened to explore the new application field of citrate crystals, and the automation and intelligence of the crystal preparation process should be realized as far as possible. Crystallization ; Caking ; Nucleation ; Sodium citrate ; Trisodium citrate ; Dissolution ; Nanotechnology ; Process engineering ; Materials science ; Biochemical engineering ; Chemical engineering ; Chemistry ; Engineering ; Organic chemistry Crystallization and Solubility Studies ; Freezing and Crystallization Processes ; Food Chemistry and Fat Analysis
Authors: Jianjun Ma | Yao Jiang | Paul A. Connor | Stephen Gamble | Mark Cassidy | Cairong Jiang | John T. S. Irvine
Source: International Journal of Energy Research (article, 2023-02-16)
Field: Materials Science — Materials Chemistry

Detailed Study of Sulfur Poisoning and Recovery of Ni-YSZ-Based Anodes Operating up to 1.8 W cm-2 in a Biogas Fuel Ni-YSZ (nickel-yttrium-stabilized zirconia) is a common anode for solid oxide fuel cells (SOFCs) because of its excellent catalytic performance and electronic conductivity. It shows that the nickel anode-supported cell exhibits good cell performance in a biogas fuel of 36CH4-36CO2-20H2O-4H2-4CO. Unfortunately, natural biogas fuels often contain sulfur, so using nickel anodes is not always straightforward. This paper investigates the sulfur poisoning and the recovery of BaCe0.7Zr0.1Y0.1Yb0.1O3-δ- (BCZYYb-) (Ce, Y, and Yb codoped barium zirconate) impregnated nickel anode-supported cells operating up to 1.8 W cm-2 in the biogas. The in situ gas analysis reveals that the suppression of the reforming reactions might cause sulfur poisoning in a 4 ppm (v) H2S (hydrogen sulfide) in open circuit conditions, whereas the current degradation in working conditions could be attributed to the deactivation of reforming reactions and catalyst activity. The incidence of water-gas shift reactions is associated with the degradation rate of these two reactions. After removing the H2S, the recovery is accelerated by a steam hydrogen fuel, indicating that steam facilitates the efficient release of sulfur from nickel sites. Anode ; Nickel ; Sulfur ; Steam reforming ; Catalysis ; Solid oxide fuel cell ; Hydrogen ; Biogas ; Materials science ; Inorganic chemistry ; Chemical engineering ; Chemistry ; Waste management ; Hydrogen production ; Metallurgy ; Electrode ; Organic chemistry Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Chemical Looping and Thermochemical Processes
Authors: Stanley Udochukwu Ofoegbu | M.G.S. Ferreira | Helena I. S. Nogueira | Mikhail L. Zheludkevich
Source: C – Journal of Carbon Research (article, 2023-01-07)
Field: Materials Science — Materials Chemistry

Comparison of the Electrochemical Response of Carbon-Fiber-Reinforced Plastic (CFRP), Glassy Carbon, and Highly Ordered Pyrolytic Graphite (HOPG) in Near-Neutral Aqueous Chloride Media Carbon-fiber-reinforced polymers (CFRP), being conductive, are capable of supporting cathodic oxygen reduction reactions (ORR) and thus promote galvanic corrosion when coupled to many metallic materials. Hence, understanding cathodic processes at carbon surfaces is critical to developing new strategies for the corrosion protection of multi-material assemblies. In the present work, the electrochemical responses of CFRP, glassy carbon, and HOPG (Highly Ordered Pyrolytic Graphite) have been evaluated in a quiescent 50 mM NaCl solution, and their respective activities towards ORR have been ranked. Employing the averages of the specific charges (CFRP, 129.52 mC cm−2; glassy carbon, 89.95 mC cm−2; HOPG, 60.77 mC cm−2) passed during 1 h polarization of each of the 3 carbon surfaces at −1000 mVSCE in the test media as a ranking criterion, the propensities of the 3 carbon surfaces (CFRP, GC, and HOPG) to support cathodic activities that can lead to anodic metal dissolution on galvanic coupling to metallic materials are ranked thusly; CFRP &gt; GC &gt; HOPG. This ranking is consistent with the trend of capacitance values obtained in this work: CFRP (19.5 to 34.5 μF cm−2), glassy carbon (13.6 to 85.5 μF cm−2), and HOPG (1.4 to 1.8 μF cm−2). A comparison of electrochemical data at potentials relevant to galvanic coupling to metals indicated that at these cathodic potential(s) the CFRP surface is the most electrochemically active of the studied carbon surfaces. On the basis of the values and trends of the electrochemical parameters evaluated, it is postulated that the observed differences in the electrochemical responses of these 3 carbon-rich surfaces to ORR are significantly due to differences in the proportions of edge sites present on each carbon surface. These results could provide valuable insights on plausible strategies for designing carbon surfaces and carbon fiber composites with reduced activity toward ORR for corrosion protection applications or enhanced activity towards ORR for energy applications. Materials science ; Pyrolytic carbon ; Galvanic cell ; Cathodic protection ; Glassy carbon ; Electrochemistry ; Carbon fibers ; Highly oriented pyrolytic graphite ; Graphite ; Metal ; Composite material ; Corrosion ; Chemical engineering ; Cyclic voltammetry ; Metallurgy ; Pyrolysis ; Electrode ; Chemistry ; Composite number ; Physical chemistry Corrosion Behavior and Inhibition ; Conducting polymers and applications ; Fuel Cells and Related Materials
Authors: Qing Peng | Xiaoze Yuan | Shuai Zhao | Xiao‐Jia Chen
Source: Nanomaterials (article, 2023-11-13)
Field: Materials Science — Materials Chemistry

Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study Mg<sub>3</sub>(Bi<sub>x</sub>Sb<sub>1-x</sub>)<sub>2</sub> (0 ≤ x ≤ 1) nanocomposites are a highly appealing class of thermoelectric materials that hold great potential for solid-state cooling applications. Tuning of the lattice thermal conductivity is crucial for improving the thermoelectric properties of these materials. Hereby, we investigated the lattice thermal conductivity of Mg<sub>3</sub>(Bi<sub>x</sub>Sb<sub>1-x</sub>)<sub>2</sub> nanocomposites with varying Bi content (x = 0.0, 0.25, 0.5, 0.75, and 1.0) using first-principles calculations. This study reveals that the lattice thermal conductivity follows a classical inverse temperature-dependent relationship. There is a significant decrease in the lattice thermal conductivity when the Bi content increases from 0 to 0.25 or decreases from 1.0 to 0.75 at 300 K. In contrast, when the Bi content increases from 0.25 to 0.75, the lattice thermal conductivity experiences a gradual decrease and reaches a plateau. For the nanohybrids (x = 0.25, 0.5, and 0.75), the distribution patterns of the phonon group velocity and phonon lifetime are similar, with consistent distribution intervals. Consequently, the change in lattice thermal conductivity is not pronounced. However, the phonon group speed and phonon lifetime are generally lower compared to those of the pristine components with x = 0 and x = 1.0. Our results suggest that the lattice thermal conductivity is sensitive to impurities but not to concentrations. This research provides valuable theoretical insights for adjusting the lattice thermal conductivity of Mg<sub>3</sub>(Bi<sub>x</sub>Sb<sub>1-x</sub>)<sub>2</sub> nanocomposites. Thermal conductivity ; Phonon ; Thermoelectric effect ; Thermoelectric materials ; Materials science ; Lattice (music) ; Condensed matter physics ; Nanocomposite ; Thermodynamics ; Nanotechnology ; Composite material ; Physics Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Thermal Radiation and Cooling Technologies
Authors: Wanqing Wu | Jianlei Yang | Yu Zhou | Qinggong Zheng | Qing Chen | Zhaoao Bai | Jiaqi Niu
Source: Electroanalysis (review, 2023-11-01)
Field: Chemistry — Physical and Theoretical Chemistry

Chemometrics‐based signal processing methods for biosensors in health and environment: A review Abstract The increasing apprehension for health, safety and quality of life in modern society has resulted in the widespread use of biosensors. Biosensors are characterised by their high sensitivity, real‐time monitoring, and easy integration, making them indispensable for environmental monitoring on‐site, as well as invasive and non‐invasive health monitoring. Signal processing and analysis are crucial to biosensor applications, with an important role being played by chemometrics in this regard. This review presents a review of recent research findings in the fields of environmental and health monitoring. In addition, it investigates the role that chemometrics plays in the processing and analysis of biosensor data. The research comprises conventional statistical techniques, including principal component analysis and wavelet transform, as well as modern techniques of artificial intelligence, such as machine learning with neural networks. Through the examination of various algorithm strengths and weaknesses, significant recommendations are offered for biosensor applications. Furthermore, the assessment delivers focused proposals for surmounting signal processing difficulties in biosensors. Additionally, the review contains a concise analysis and reflection on the issue of multiple detection and analysis. The review intends to give essential guidance to future researchers in selecting efficient and sensible methods of data processing for their studies. Chemometrics ; Biosensor ; Computer science ; Signal processing ; Strengths and weaknesses ; Biochemical engineering ; Statistical signal processing ; Artificial intelligence ; Data science ; Machine learning ; Nanotechnology ; Engineering ; Digital signal processing ; Psychology thermodynamics and calorimetric analyses ; Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: Sudirman Rizki Ariyanto | Suprayitno Suprayitno | Retno Wulandari
Source: Automotive Experiences (article, 2023-04-28)
Field: Materials Science — Materials Chemistry

Design of Metallic Catalytic Converter using Pareto Optimization to Improve Engine Performance and Exhaust Emissions In this paper, Metallic Catalytic Converter (MCC) is installed in motorcycle exhausts to produce the minimum CO as well as to produce the optimum engine power. The results from previous research were collected and then used to predict the best MCC design using the Artificial Neural Network Multi-Objective Genetic Algorithm (ANN-MOGA). In addition, the ANN parameter tuning process was also carried out using the Taguchi method to find the initial weighting and bias that is able to provide the best and the most stable performance to predict the best MCC design. The best two sets of design solutions out of 70 sets of Pareto solutions were obtained by ANN-MOGA. Those two MCC designs are the optimum emission design and the optimum multi-objective design. The verification results show that the optimum multi-objective design tends to be superior in terms of CO emissions and engine power. In terms of CO emissions, the optimum multi-objective design gets a larger S/N ratio of -10.98, while the optimum emission design only gets an S/N ratio of -11.21. Meanwhile, in terms of engine power, the optimum multi-objective design gets a larger S/N ratio of 16.13, while the optimum emission design only gets an S/N ratio of 15.86 S/N. It is in line with the ANOVA test results which show that the optimum multi-objective design is proven to be better than the optimum emission design. Taguchi methods ; Weighting ; Multi-objective optimization ; Orthogonal array ; Design of experiments ; Pareto principle ; Power (physics) ; Optimal design ; Genetic algorithm ; Automotive engineering ; Artificial neural network ; Exhaust gas ; Mathematical optimization ; Engineering ; Computer science ; Mathematics ; Statistics ; Waste management Catalytic Processes in Materials Science ; Electric and Hybrid Vehicle Technologies ; Energy, Environment, and Transportation Policies
Authors: Sameer Quazi | Maliha Rashid | Javid Ahmad Malik | Shreelaxmi Gavas
Source: Antibiotics (review, 2023-05-04)
Field: Chemistry — Organic Chemistry

RETRACTED: The Discovery of Novel Antimicrobial Agents Through the Application of Isocyanide-Based Multicomponent Reactions Multicomponent reactions (MCR) have been used to synthesize a wide range of analogs from several classes of heterocyclic compounds, with multifaceted medicinal uses. The synthesis of highly functionalized molecules in a single pot is a unique property of MCR, allowing researchers to quickly assemble libraries of compounds of biological interest and uncover novel leads as possible therapeutic agents. Isocyanide-based multicomponent reactions have proven to be extremely effective at swiftly specifying members of compound libraries, particularly in the discovery of drugs. The understanding of structure-activity correlations that drive the development of new goods and technology requires structural variety in these libraries. In today's world, antibiotic resistance is a major ongoing problem that poses risks to public health. The implementation of isocyanide-based multicomponent reactions upholds a significant potential in this regard. By utilizing such reactions, new antimicrobial compounds can be discovered and subsequently used to fight against such concerns. This study discusses the recent developments in antimicrobial medication discovery using isocyanide-based multicomponent reactions (IMCRs). Furthermore, the article emphasizes the potential of IMCRs (Isocyanide-based multicomponent based reactions) in the near future. Isocyanide ; Antimicrobial ; Chemistry ; Combinatorial chemistry ; Organic chemistry Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Chemical Synthesis and Analysis
Authors: Peng Zhang | Yadong Dai | Hansong Liu | Botao Dong | Yilun Yao | Jinsong Sun | Tao Yang | Xiangyu Zhong | Jianwen Bao
Source: Polymers (article, 2023-01-27)
Field: Materials Science — Polymers and Plastics

The Relationship between Structure and Performance of Different Polyimides Based on Molecular Simulations A polyimide (PI) molecular model was successfully constructed to compare the performance of PIs with different structures. In detail, the structure of the cross-linked PI resin, the prepolymer melt viscosity, and the glass-transition temperature (T<sub>g</sub>) were investigated using molecular simulations. The results indicate that benzene ring and polyene-type cross-linked structures dominate the properties of the PIs. Moreover, the prepolymer melt viscosity simulations show that the 6FDA-APB and the ODPA-APB systems have a low viscosity. The results for the T<sub>g</sub> and the distribution dihedral angle reveal that the key factor affecting bond flexibility may be the formation of a new dihedral angle after cross-linking, which affects the T<sub>g</sub>. The above results provide an important reference for the design of PIs and have important value from the perspective of improving the efficiency of new product development. Dihedral angle ; Prepolymer ; Materials science ; Polyimide ; Viscosity ; Molecular dynamics ; Glass transition ; Benzene ; Chemical engineering ; Composite material ; Computational chemistry ; Molecule ; Polymer ; Chemistry ; Hydrogen bond ; Organic chemistry ; Layer (electronics) Synthesis and properties of polymers ; Epoxy Resin Curing Processes ; Membrane Separation and Gas Transport
Authors: Zhuang Xu | Mengli Li | Guowang Shen | Yuhao Chen | Dashun Lu | Peng Ren | Hao Jiang | Xugen Wang | Bin Dai
Source: Nanomaterials (article, 2023-01-18)
Field: Materials Science — Materials Chemistry

Solvent Effects in the Preparation of Catalysts Using Activated Carbon as a Carrier The role of solvents is crucial in catalyst preparation. With regard to catalysts prepared with activated carbon (AC) as the carrier, when water is used as a solvent it is difficult for the solution to infiltrate the AC. Because AC comprises a large number of C atoms and is a nonpolar material, it is more effective for the adsorption of nonpolar substances. Since the water and active ingredients are polar, they cannot easily infiltrate AC. In this study, the dispersion of the active component was significantly improved by optimizing the solvent, and the particle size of the active component was reduced from 33.08 nm to 15.30 nm. The specific surface area of the catalyst is significantly increased, by 10%, reaching 991.49 m<sup>2</sup>/g. Under the same reaction conditions, the conversion of acetic acid by the catalyst prepared with the mixed solvent was maintained at approximately 65%, which was 22% higher than that obtained using the catalyst prepared with water as the solvent. Catalysis ; Solvent ; Activated carbon ; Adsorption ; Acetic acid ; Dispersion (optics) ; Active carbon ; Carbon fibers ; Chemistry ; Particle size ; Chemical engineering ; Particle (ecology) ; Solvent effects ; Inorganic chemistry ; Materials science ; Organic chemistry ; Composite number ; Physical chemistry ; Composite material Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Mesoporous Materials and Catalysis
Authors: Hanqing Wei | Bin Dong | Yingying Pang | Haifei Zhan | Chaofeng Lü
Source: International Journal of Mechanical Sciences (article, 2023-08-19)
Field: Materials Science — Materials Chemistry

Sliding behavior at the graphene oxide and polyethylene interface Materials science ; Composite material ; Interphase ; Nanocomposite ; Ultimate tensile strength ; Polymer ; Oxide ; Shear (geology) ; Shear strength (soil) ; Metallurgy Graphene research and applications ; Carbon Nanotubes in Composites ; Graphene and Nanomaterials Applications
Authors: Fathima IS | Manish Kumar Mohanta | Abir De Sarkar
Source: Journal of Physics Condensed Matter (review, 2023-03-23)
Field: Materials Science — Materials Chemistry

Insights into selected 2D piezo Rashba semiconductors for self-powered flexible piezo spintronics: material to contact properties The new paradigm in electronics consists in realizing the seamless integration of many properties latent in nanomaterials, such as mechanical flexibility, strong spin-orbit coupling (Rashba spin splitting-RSS), and piezoelectricity. Taking cues from the pointers given on 1D ZnO nanowires (<i>ACS Nano</i>2018<b>12</b>1811-20), the concept can be extended to multifunctional two-dimensional (2D) materials, which can serve as an ideal platform in next-generation electronics such as self-powered flexible piezo-spintronic device. However, a microscopically clear understanding reachable from the state-of-the-art density functional theory-based approaches is a prerequisite to advancing this research domain. Atomic-scale insights gained from meticulously performed scientific computations can firmly anchor the growth of this important research field, and that is of undeniable relevance from scientific and technological outlooks. This article reviews the scientific advance in understanding 2D materials hosting all the essential properties, i.e. flexibility, piezoelectricity, and RSS. Important 2D semiconducting monolayers that deserve a special mention, include monolayers of buckled MgX (X = S, Se, Te), CdTe, ZnTe, Janus structures of transition metal trichalcogenides, Janus tellurene and 2D perovskites. van Der Waals multilayers are also built to design multifunctional materials via modulation of the stacking sequence and interlayer coupling between the constituent layers. External electric field, strain engineering and charge doping are perturbations mainly used to tune the spintronic properties. Finally, the contact properties of these monolayers are also crucial for their actual implementation in electronic devices. The nature of the contacts, Schottky/Ohmic, needs to be carefully examined first as it controls the device's performance. In this regard, the rare occurrence of Ohmic contact in graphene/MgS van der Waals hetero bilayer has been presented in this review article. Spintronics ; Materials science ; Nanotechnology ; Piezoelectricity ; Electronics ; Monolayer ; Semiconductor ; Schottky barrier ; Engineering physics ; Condensed matter physics ; Optoelectronics ; Physics ; Electrical engineering ; Engineering ; Diode ; Ferromagnetism 2D Materials and Applications ; Electronic and Structural Properties of Oxides ; MXene and MAX Phase Materials
Authors: Mohammad Bagheri | Ethan Berger | Hannu‐Pekka Komsa
Source: The Journal of Physical Chemistry Letters (article, 2023-08-25)
Field: Materials Science — Materials Chemistry

Identification of Material Dimensionality Based on Force Constant Analysis Identification of low-dimensional structural units from the bulk atomic structure is a widely used approach for discovering new low-dimensional materials with new properties and applications. Such analysis is usually based solely on bond-length heuristics, whereas an analysis based on bond strengths would be physically more justified. Here, we study dimensionality classification based on the interatomic force constants of a structure with different approaches for selecting the bonded atoms. The implemented approaches are applied to the existing database of first-principles calculated force constants with a large variety of materials, and the results are analyzed by comparing them to those of several bond-length-based classification methods. Depending on the approach, they can either reproduce results from bond-length-based methods or provide complementary information. As an example of the latter, we managed to identify new non-van der Waals two-dimensional material candidates. van der Waals force ; Curse of dimensionality ; Heuristics ; Identification (biology) ; Force constant ; Bond length ; Computer science ; Statistical physics ; Constant (computer programming) ; Materials science ; Physics ; Artificial intelligence ; Molecule ; Quantum mechanics Machine Learning in Materials Science ; 2D Materials and Applications ; Boron and Carbon Nanomaterials Research