jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sohini Bhattacharya | Anik Sahoo | Sujoy Baitalik
Source: Dalton Transactions (article, 2023-01-01)
Field: Chemistry — Spectroscopy

Human brain-inspired chemical artificial intelligence tools for the analysis and prediction of the anion-sensing characteristics of an imidazole-based luminescent Os(<scp>ii</scp>)-bipyridine complex Neural network and decision tree-based soft computing techniques are implemented in this work for the thorough analysis of the multichannel anion-sensing characteristics of an Os(II)-bipyridine complex derived from imidazole-4,5-bis(benzimidazole) ligand. With the aid of three imidazole NH protons in its outer coordination sphere, a substantial change in the spectral response as well as Os<sup>II</sup>/Os<sup>III</sup> potential is made possible upon treating with anions of varying basicity. Initial hydrogen bonding between NH protons and anions and thereafter complete proton transfer from the complex backbone probably take place in the process. The deprotonation of the complex by specific anions and restoration to its original form by acid is also reversible. The responsiveness of the new compound is complex enough to imitate multiple sophisticated binary and ternary Boolean logic (BL) functions (NOT logic, combinational logic, traffic signal, set-reset flip-flop logic, and ternary NOR logic) by employing its spectral and redox outputs upon the action of suitable anions and acid in a proper sequence. Executing sensing investigations on altering the amount of the anions within a widespread range is often time-consuming and tedious. To overcome the lacuna, we implemented multiple soft computing techniques, <i>viz</i>., fuzzy logic (FL), artificial neural networks (ANNs), adaptive neuro-fuzzy inference system (ANFIS), and decision tree (DT) regression, for the thorough analysis and prediction of the experimentally observed results. The outcomes obtained from different techniques were compared among themselves as well as with the experimental data and utilized for the proper modeling of the anion-sensing behaviors of the complex. Imidazole ; Luminescence ; Ion ; Computer science ; Bipyridine ; Artificial intelligence ; Chemistry ; Combinatorial chemistry ; Materials science ; Biochemistry ; Organic chemistry ; Optoelectronics Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Muhammad Bilal | Shama Parveen
Source: Journal of Condensed Matter (article, 2023-05-30)
Field: Materials Science — Materials Chemistry

Synthesis of Multi Wall Carbon Nanotubes based Electronic Sensors for Internet of Things (IoT) The Internet of Things (IoT) refers to advance devices other than computers that are connected to the Internet and can send and receive information. IoT is a new paradigm that has transformed traditional lifestyles into high-tech ones. It is the notion of a ubiquitous computer environment in which custom-sized electronics are effortlessly implanted into common things. Electronic sensors at the heart of the IoT detect physical/environmental occurrences, translate these measurements into electrical signals, and wirelessly transfer the data for remote computation. Indeed, the 5G communication and cloud computing stimulate the research in applications of carbon nanotubes in electronic devices. CNTs have demonstrated potential applications in electronics, biosensing, artificial intelligence and the Internet of ThingsIn present study, we report the synthesis of Multi Wall Carbon Nanotubes (MWCNTs) by Chemical Vapour Deposition (CVD) at 600C on Zinc Oxide (ZnO) catalyst coated silicon substrate by thermal evaporation technique. As-grown MWCNTs are characterized by Scanning Electron Microscope (SEM). High density growth of MWCNTs have been confirmed by SEM image. Catalyst nanoparticles play very important roles in the decomposition of the hydrocarbon source and to provide nucleation site for growth of MWCNTs. High MWCNT density is required for IoT-based sensors with high performance, sensitivity, selectivity, and distant sensing. Because IoT not only provides services but also creates massive amounts of data. Hence, this study would be helpful for the next generation 5G communication and cloud computing stimulate to enhance living style. Electronics ; Carbon nanotube ; Nanotechnology ; Substrate (aquarium) ; Materials science ; Cloud computing ; Computer science ; The Internet ; Electrical engineering ; Engineering ; World Wide Web Carbon Nanotubes in Composites ; Nanotechnology research and applications ; Neuroscience and Neural Engineering
Authors: Kevin Rossi | Georg Daniel Förster | Claudio Zeni | Julien Lam
Source: Carbon Trends (article, 2023-05-18)
Field: Materials Science — Materials Chemistry

Modeling and characterization of the nucleation and growth of carbon nanostructures in physical synthesis Carbon nanostructures formed through physical synthesis come in a variety of sizes and shapes. With the end goal of rationalizing synthetic pathways of carbon nanostructures as a function of tunable parameters in the synthesis, we investigate how the initial density and quench rate influence the morphology of carbon nanostructures obtained from the cooling of a gas of atomic carbon by molecular dynamics simulations. For the structural analysis, we combine classical order parameters with a data-driven approach based on local density descriptors and kernel similarity measurements. Aided by this complementary set of tools, we describe in detail the formation of carbon nanostructures from the gas phase. Their formation proceeds through the nucleation of small liquid carbon nanoclusters followed by growth into unique objects. We find that ordered structures can only be obtained at certain quenching rates and that among those, fullerene-like particles are favored at intermediate densities while nanotubes-like structures require higher initial densities. © XXXX CEA. Elsevier Nanoclusters ; Nucleation ; Nanostructure ; Carbon fibers ; Materials science ; Fullerene ; Characterization (materials science) ; Nanotechnology ; Chemical physics ; Molecular dynamics ; Carbon nanotube ; Quenching (fluorescence) ; Chemistry ; Computational chemistry ; Physics ; Organic chemistry ; Composite material Carbon Nanotubes in Composites ; Fullerene Chemistry and Applications ; Phase Equilibria and Thermodynamics
Authors: Nanxi Chen | Changxin Liu | Baichuan Shan | Runhe Chen | Guangyi Xing | Tong Shao
Source: Measurement Science and Technology (article, 2023-08-01)
Field: Materials Science — Materials Chemistry

A novel material identification method for different thermal conductivities materials based on the micro thermoelectric generator Abstract An artificial intelligence (AI) technical system is the foundation of the internet of things. While in the technical system, the material identification technology is the key point. Material identification technology can be applied to AI robots and smart skin. However, most of the traditional material identification technologies have limitations such as high cost and complicated operation, while the low-cost ones have the problem of low accuracy. To accurately, efficiently, and simply identify objects is a bottleneck that researchers urgently need to overcome. Based on the thermoelectric effect, a material identification theory is proposed and a prototype is fabricated in this paper. A series of experiments are carried out to test the performance of the prototype. According to the results, the prototype can precisely identify metal materials and nonmetal materials less than 3 s. There are many merits of the prototype, such as high identification accuracy, low cost, and low maintenance difficulty. Besides, considering complex surface of materials may decrease the identification accuracy, this paper proposes a kind of flexible thermal conductive material to improve identification accuracy. It is verified that the identification accuracy is improved with the flexible thermal conductive material. Identification (biology) ; Bottleneck ; Computer science ; Generator (circuit theory) ; Thermoelectric generator ; Thermoelectric materials ; Key (lock) ; Mechanical engineering ; Process engineering ; Thermoelectric effect ; Thermal conductivity ; Materials science ; Embedded system ; Engineering ; Power (physics) Advanced Thermoelectric Materials and Devices ; Advanced Chemical Sensor Technologies ; Thermography and Photoacoustic Techniques
Authors: Jui‐Han Fu | Yichen Cai | Jie Shen | Hayato Sugisaki | Kohei Nanjo | Karin To | Kevin C.‐W. Wu | Yu Han | Lain‐Jong Li | Vincent Tung
Source: Matter (article, 2023-07-01)
Field: Materials Science — Materials Chemistry

Pieces of 2D materials: The next step to crystallize the polycrystalline domains Electronics ; Materials science ; Substrate (aquarium) ; Nanotechnology ; Epitaxy ; Silicon ; Heterojunction ; Engineering physics ; Optoelectronics ; Electrical engineering ; Engineering ; Layer (electronics) 2D Materials and Applications ; Graphene research and applications ; MXene and MAX Phase Materials
Authors: Tao Hai | Fahad M. Alhomayani | Teeba Ismail Kh | Rishabh Chaturvedi | Masood Ashraf Ali
Source: Journal of Composite Materials (article, 2023-06-23)
Field: Materials Science — Polymers and Plastics

The ballistic and quasi-static puncture resistance of 3D fabrics impregnated with novel shear thickening fluids and modeling quasi-static behavior using artificial intelligence The present study deals with the chemical modification of polyethylene glycol (PEG) based on shear thickening fluids (STFs) and their application to improve the ballistic impact and quasi-static resistance performance of 3D E-glass fabrics. The carrier fluid (PEG 200) was modified with two different agents, oxalic acid and glutaric acid. The modified PEGs were then characterized by FTIR analysis. The rheological analysis of modified STF using glutaric (G/STF) and oxalic acid (O/STF) showed an improvement in peak viscosity by 10.33 and 3.28 times compared to pure STF (P/STF), respectively. Moreover, PEG modification resulted in higher chain length and a higher number of hydrophilic functional groups, representing superior media-particle interaction through abundant H-bonding. As a result of improved viscosity, the ballistic resistance and quasi-static performance of modified STF-treated fabrics were enhanced compared to that of P/STF-treated fabrics. A two-step artificial intelligence regression analysis was performed to predict quasi-static puncture resistance at different puncture speeds. The results showed a strong correlation between the load-deformation behavior and the loading speed. Materials science ; Composite material ; Dilatant ; Polyethylene glycol ; Rheology ; PEG ratio ; Viscosity ; Dynamic mechanical analysis ; Shear thinning ; Oxalic acid ; Chemical engineering ; Chemistry Textile materials and evaluations ; Structural Analysis of Composite Materials ; Mechanical Behavior of Composites
Authors: Tzu‐En Lin | Sorour Darvishi
Source: Biosensors (review, 2023-06-30)
Field: Chemistry — Electrochemistry

A Brief Review of In Situ and Operando Electrochemical Analysis of Bacteria by Scanning Probes Bacteria are similar to social organisms that engage in critical interactions with one another, forming spatially structured communities. Despite extensive research on the composition, structure, and communication of bacteria, the mechanisms behind their interactions and biofilm formation are not yet fully understood. To address this issue, scanning probe techniques such as atomic force microscopy (AFM), scanning electrochemical microscopy (SECM), scanning electrochemical cell microscopy (SECCM), and scanning ion-conductance microscopy (SICM) have been utilized to analyze bacteria. This review article focuses on summarizing the use of electrochemical scanning probes for investigating bacteria, including analysis of electroactive metabolites, enzymes, oxygen consumption, ion concentrations, pH values, biofilms, and quorum sensing molecules to provide a better understanding of bacterial interactions and communication. SECM has been combined with other techniques, such as AFM, inverted optical microscopy, SICM, and fluorescence microscopy. This allows a comprehensive study of the surfaces of bacteria while also providing more information on their metabolic activity. In general, the use of scanning probes for the detection of bacteria has shown great promise and has the potential to provide a powerful tool for the study of bacterial physiology and the detection of bacterial infections. Scanning electrochemical microscopy ; Scanning ion-conductance microscopy ; Biofilm ; Bacteria ; Scanning probe microscopy ; Microscopy ; Nanotechnology ; Chemistry ; Fluorescence microscope ; Bacterial cell structure ; Biophysics ; Quorum sensing ; Materials science ; Scanning electron microscope ; Electrochemistry ; Fluorescence ; Electrode ; Biology ; Scanning confocal electron microscopy ; Optics Electrochemical Analysis and Applications ; Force Microscopy Techniques and Applications ; Analytical Chemistry and Sensors
Authors: O.O. Balayeva | A.A. Azizov | M.B. Muradov | R.M. Alosmanov | S.M. Zulfugarova | M.H. Abbasov | S.J. Mammadyarova
Source: Azerbaijan Chemical Journal (article, 2023-03-28)
Field: Chemistry — Organic Chemistry

SYNTHESIS OF ZnAl-LDH/PVA NANOCOMPOSITE AND ADSORPTION OF PATENT BLUE V FOOD DYE FROM WATER SOLUTION In the presented research work, zinc and aluminum containing layered double hydroxides on the polyvinyl alcohol matrix (ZnAl LDH/PVA) were prepared by the co-formation technique and characterized by X-ray diffractometer, Brunauer-Emmett-Teller (BET) and Ultraviolet-visible (UV-Vis) spectroscopy. Both low and high pH is determined as optimal pH for Patent Blue V (PBV) adsorption on the ZnAl LDH/PVA nanocomposite and it is explained by the fact that the dye molecule is zwitterionic. Sorption of Patent Blue V food additive (E 131) on the obtained nanocomposite was studied by Temkin, Freundlich, Langmuir, and Dubinin-Radushkevich (D-R) isotherm models. Based on the obtained isotherm curves, the adsorption of PBV more closely matches Temkin model. The regenerated nanocomposite shows higher adsorption because the specific surface area increased from 5m2 g-1 to 8.94 m2 g-1 by BET analysis Freundlich equation ; Nanocomposite ; Langmuir ; Adsorption ; Polyvinyl alcohol ; Sorption ; Nuclear chemistry ; Materials science ; Langmuir adsorption model ; Chemistry ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Composite material Nanomaterials for catalytic reactions ; Layered Double Hydroxides Synthesis and Applications ; Adsorption and biosorption for pollutant removal
Authors: Emmanuel Chile Nleonua | Ilham Ben Amor | Soumeia Zeghoud | Hadia Hemmami
Source: Algerian Journal of Biosciences (article, 2023-06-30)
Field: Materials Science — Materials Chemistry

Biosynthesis of Silver Nanoparticles and Their Applications Recent developments in nanotechnology and nanoscience have improved methods for treating, preventing, and diagnosing a wide range of illnesses in many parts of living beings. Silver nanoparticles (Ag NPs) are among the most significant and intriguing metallic nanoparticles employed in several biological applications. To create Ag NPs, biomolecules from diverse microbial species and plant components have been researched as possible agents. Due to their physical orientation characteristics, and small size, these Ag NPs are widely employed and are said to have an impact on the performance of any other material that comes into touch with them. In addition, straightforward biological, physical, and chemical methods may be used to create Ag NPs. Due to their enhanced responsiveness to environmentally friendly technology for quantifiable synthesis, several developed nations have seen significant growth in the biosynthesis of Ag NPs. The biological method, however, is the approach to preparation that is most in demand since it is quicker, safer, less expensive, and more environmentally friendly than other techniques. In addition, the importance of Ag NPs is extensively examined in light of their numerous bioapplications, including those for antifungal, anti-inflammatory, antibacterial, Antiviral activity, Catalytic Activity, and anticancer medicines Nanotechnology ; Environmentally friendly ; Biomolecule ; Antifungal ; Nanoparticle ; Silver nanoparticle ; Materials science ; Nanomedicine ; Biology ; Ecology ; Microbiology Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Advanced Nanomaterials in Catalysis
Authors: Madeline Dressel Dukes | Nynke A. Krans | Katherine E. Marusak | Stamp Walden | Tim B. Eldred | Alan Franks | B. C. Larson | Yaofeng Guo | David P. Nackashi | John Damiano
Source: Journal of Visualized Experiments (review, 2023-06-23)
Field: Materials Science — Surfaces, Coatings and Films

A Machine-Vision Approach to Transmission Electron Microscopy Workflows, Results Analysis and Data Management Transmission electron microscopy (TEM) enables users to study materials at their fundamental, atomic scale. Complex experiments routinely generate thousands of images with numerous parameters that require time-consuming and complicated analysis. AXON synchronicity is a machine-vision synchronization (MVS) software solution designed to address the pain points inherent to TEM studies. Once installed on the microscope, it enables the continuous synchronization of images and metadata generated by the microscope, detector, and in situ systems during an experiment. This connectivity enables the application of machine-vision algorithms that apply a combination of spatial, beam, and digital corrections to center and track a region of interest within the field of view and provide immediate image stabilization. In addition to the substantial improvement in resolution afforded by such stabilization, metadata synchronization enables the application of computational and image analysis algorithms that calculate variables between images. This calculated metadata can be used to analyze trends or identify key areas of interest within a dataset, leading to new insights and the development of more sophisticated machine-vision capabilities in the future. One such module that builds on this calculated metadata is dose calibration and management. The dose module provides state-of-the-art calibration, tracking, and management of both the electron fluence (e<sup>-</sup>/Å<sup>2</sup>·s<sup>-1</sup>) and cumulative dose (e<sup>-</sup>/Å<sup>2</sup>) that is delivered to specific areas of the sample on a pixel-by-pixel basis. This enables a comprehensive overview of the interaction between the electron beam and the sample. Experiment analysis is streamlined through a dedicated analysis software in which datasets consisting of images and corresponding metadata are easily visualized, sorted, filtered, and exported. Combined, these tools facilitate efficient collaborations and experimental analysis, encourage data mining and enhance the microscopy experience. Computer science ; Metadata ; Software ; Workflow ; Pixel ; Synchronization (alternating current) ; Sample (material) ; Artificial intelligence ; Computer vision ; Transmission (telecommunications) ; Calibration ; Data mining ; Database ; Physics Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Integrated Circuits and Semiconductor Failure Analysis
Authors: Xian‐Yi Jin | Qingmei Ge | Hang Cong | Yun‐Qian Zhang | Jiang‐Lin Zhao | Nan Jiang
Source: ChemSusChem (review, 2023-03-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Breakthroughs in Supercapacitors Boosted by Macrocycles Supercapacitors are essential for electrochemical energy storage because of their high-power density, good cycle stability, fast charging and discharging rates, and low maintenance cost. Macrocycles, including cucurbiturils, calixarene, and cyclodextrins, are cage-like organic compounds (with a nanocavity that contains O and N heteroatoms) with unique potential in supercapacitors. Here, we review the applications of macrocycles in supercapacitor systems, and we illustrate the merits of organic macrocycles in electrodes and electrolytes for improving the electrochemical double-layer capacitors and pseudocapacitance via supramolecular strategies. Then, the observed relationships between electrochemical performance and macrocyclic structures are introduced. This comprehensive review describes recent progress on macrocycle-block supercapacitors for researchers. Supercapacitor ; Nanotechnology ; Chemistry ; Materials science ; Electrochemistry ; Physical chemistry ; Electrode Supercapacitor Materials and Fabrication ; Supramolecular Self-Assembly in Materials ; Hydrogen Storage and Materials
Authors: Luo Sun | Zhiguo Ye | Xinyuan Peng | Shaojie Zhuang | Duosheng Li | Zhong Jin
Source:  (preprint, 2023-08-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Self-Powered Piezo-Supercapacitors Based on ZnO@Mo-Fe-MnO2 Nanoarrays The development of self-charging supercapacitor power cells (SCSPCs) has profound implications for smart electronic devices used in different fields. Here, we epitaxially electrodeposited Mo- and Fe-codoped MnO2 films on piezoelectric ZnO nanoarrays (NAs) grown on the flexible carbon cloth (denoted ZnO@Mo-Fe-MnO2 NAs). An SCSPC device was assembled with the ZnO@Mo-Fe-MnO2 NA electrode and poly(vinylidenefluoride-co-trifluoroethylene) (PVDF-Trfe) piezoelectric film doped with BaTiO3 (BTO) and carbon nanotubes (CNTs) (denoted PVDF-Trfe/CNTs/BTO). The SCSPC device exhibited an energy density of 30 μWh cm-2 with a high-power density of 40 mW cm-2, and delivered an excellent self-charging performance of 363 mV (10 N) driven by both the piezoelectric ZnO NAs and the PVDF-Trfe/CNTs/BTO films. More intriguingly, the device also could also be self-charged by 184 mV due to residual stress alone, and showed excellent energy conversion efficiency and low self-discharge rate. This work illustrates for the first time the self-charging mechanism involving electrolyte ion migration driven by both electrodes and films. A comprehensive analysis strongly confirmed the important contribution of the piezoelectric ZnO NAs in the self-charging process of the SCSPC device. This work provides novel directions and insights for the development of SCSPCs. Materials science ; Piezoelectricity ; Supercapacitor ; Electrolyte ; Carbon nanotube ; Electrode ; Power density ; Nanotechnology ; Optoelectronics ; Carbon fibers ; Composite material ; Power (physics) ; Composite number ; Electrochemistry ; Chemistry Supercapacitor Materials and Fabrication ; Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Ammar Abdul Hussein Awad Ammar Abdul Hussein Awad | M. Rasheed
Source: Journal of the chemical society of pakistan (article, 2023-01-01)
Field: Chemistry — Organic Chemistry

Synthesis of Some Prodrug Compounds Depending on Maleimide Derivatives Method Four different prodrugs were prepared by linking various antibiotic drugs (Ampicillin, Amoxicillin, Ceftriaxone, and Cefotaxime) with 4-maleimidobenzoic (4-(2,5-dihydro-1H-pyrrol-1-yl)benzoic acid), which is firstly converted to 4-(2,5-dihydro-1H-pyrrol-1-yl)benzoyl chloride in the presence of SOCl2 to form four maleimide derivatives [5a-d]. These derivatives were characterized by FT-IR, 1H NMR, 13CNMR, and C.H.N.S. and then studied for their antibacterial activity against E. coli and S. aureus bacteria. As well as studied the anti-cancer activities and determined their potential to reduce cell viability in the human breast cancer cell line MCF7. The findings show that the substances created in this study have a promising activity profile in terms of slowing the growth of both cancer cells and the chosen bacteria. Maleimide ; Prodrug ; Cefotaxime ; Chemistry ; Benzoic acid ; Ampicillin ; Bacteria ; Ceftriaxone ; Proton NMR ; Antibiotics ; Combinatorial chemistry ; Nuclear chemistry ; Organic chemistry ; Biochemistry ; Biology Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Synthesis and Characterization of Heterocyclic Compounds