jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anna A. Vedernikova | Mikhail D. Miruschenko | Irina A. Arefina | Anton A. Babaev | Evgeniia A. Stepanidenko | Sergei A. Cherevkov | Igor G. Spiridonov | Denis V. Danilov | Aleksandra V. Koroleva | Evgeniy V. Zhizhin | Elena V. Ushakova
Source: Nanomaterials (article, 2022-09-23)
Field: Materials Science — Materials Chemistry

Dual-Purpose Sensing Nanoprobe Based on Carbon Dots from o-Phenylenediamine: pH and Solvent Polarity Measurement Today, the development of nanomaterials with sensing properties attracts much scientific interest because of the demand for low-cost nontoxic colloidal nanoprobes with high sensitivity and selectivity for various biomedical and environment-related applications. Carbon dots (CDs) are promising candidates for these applications as they demonstrate unique optical properties with intense emissions, biocompatibility, and ease of fabrication. Herein, we developed synthesis protocols to obtain CDs based on o-phenylenediamine with a variety of optical responses depending on additional precursors and changes in the reaction media. The obtained CDs are N-doped (N,S-doped in case of thiourea addition) less than 10 nm spherical particles with emissions observed in the 300−600 nm spectral region depending on their chemical composition. These CDs may act simultaneously as absorptive/fluorescent sensing probes for solvent polarity with ∆S/∆ENT up to 85, for ∆ENT from 0.099 to 1.0 and for pH values in the range of 3.0−8.0, thus opening an opportunity to check the pH in non-pure water or a mixture of solvents. Moreover, CDs preserve their optical properties when embedded in cellulose strips that can be used as sensing probes for fast and easy pH checks. We believe that the resulting dual-purpose sensing nano probes based on CDs will have high demand in various sensing applications. Nanoprobe ; Nanomaterials ; Nanotechnology ; Materials science ; Solvent ; Fluorescence ; Doping ; Fabrication ; Carbon fibers ; Nanoparticle ; Chemical engineering ; Chemistry ; Optoelectronics ; Organic chemistry Carbon and Quantum Dots Applications ; Electrochemical sensors and biosensors ; Advanced Nanomaterials in Catalysis
Authors: Dagmara Bajer | Halina Kaczmarek
Source: Materials (article, 2022-05-20)
Field: Materials Science — Biomaterials

Thermal Stability of Fluorescent Chitosan Modified with Heterocyclic Aromatic Dyes Fluorescent biopolymer derivatives are increasingly used in biology and medicine, but their resistance to heat and UV radiation, which are sterilizing agents, is relatively unknown. In this work, chitosan (CS) modified by three different heterocyclic aromatic dyes based on benzimidazole, benzothiazole, and benzoxazole (assigned as IBm, BTh, and BOx) has been studied. The thermal properties of these CS derivatives have been determined using the Thermogravimetric Analysis coupled with the Fourier Transform Infrared spectroscopy of volatile degradation products. The influence of UV radiation on the thermal resistance of modified, fluorescent chitosan samples was also investigated. Based on the temperature onset as well as the decomposition temperatures at a maximal rate, IBm was found to be more thermally stable than BOx and BTh. However, this dye gave off the most volatile products (mainly water, ammonia, carbon oxides, and carbonyl/ether compounds). The substitution of dyes for chitosan changes its thermal stability slightly. Characteristic decomposition temperatures in modified CS vary by a few degrees (<10 °C) from the virgin sample. Considering the temperatures of the main decomposition stage, CS-BOx turned out to be the most stable. The UV irradiation of chitosan derivatives leads to minor changes in the thermal parameters and a decrease in the number of volatile degradation products. It was concluded that the obtained CS derivatives are characterized by good resistance to heat and UV irradiation, which extends the possibilities of using these innovative materials. Chitosan ; Thermal stability ; Thermogravimetric analysis ; Fourier transform infrared spectroscopy ; Thermal decomposition ; Fluorescence ; Materials science ; Chemistry ; Nuclear chemistry ; Benzothiazole ; Chemical engineering ; Organic chemistry Nanocomposite Films for Food Packaging ; Conducting polymers and applications ; Analytical Chemistry and Sensors
Authors: Nour Eldeen Abo Nassar
Source: International Journal of Advanced Engineering Sciences and Applications (article, 2022-01-31)
Field: Materials Science — Materials Chemistry

Corrosion in marine and offshore steel structures: Classification and overview Marine services and industry have emerged as one of the most significant pillars of global economic growth. Corrosion of materials, on the other hand, is still the most important issue for marine structures and equipment. Corrosion is a major contributor to the degradation of marine and offshore structures. It has an effect on the life of process equipment, and might lead to structural failure, leakage, product degradation, contamination, and even death. It is important to investigate the mechanisms of material corrosion in the marine environment, as well as corrosion prevention methods, in order to make effective use of marine resources. Various mitigation techniques, like the utilization of coatings, cathodic protection, and corrosion allowance are utilized to protect offshore structures against corrosion. In general, the marine environment has a significant impact on the protection of offshore structures. Therefore, the objective of this paper is to give an overview about corrosion of marine structures, how it happens and some of the current prevention techniques. Corrosion ; Submarine pipeline ; Cathodic protection ; Environmental science ; Allowance (engineering) ; Engineering ; Forensic engineering ; Metallurgy ; Materials science ; Operations management ; Geotechnical engineering Corrosion Behavior and Inhibition ; Structural Integrity and Reliability Analysis ; Concrete Corrosion and Durability
Authors: Taewon Kang | Md. Mamunul Haque | Boran Lee | Kyung Tae Hong | Seong Cheol Hong | Younghun Kim | Jesang Lee | Jun‐Seok Lee | Dongwhan Lee
Source: Nature Communications (article, 2022-10-04)
Field: Materials Science — Materials Chemistry

Orthogonally-tunable and ER-targeting fluorophores detect avian influenza virus early infection Cell-based assays can monitor virus infection at a single-cell level with high sensitivity and cost-efficiency. For this purpose, it is crucial to develop molecular probes that respond selectively to physiological changes in live cells. We report stimuli-responsive light-emitters built on a T-shaped benzimidazole platform, and consecutive borylation reactions to produce a library of homologs displaying systematic changes in fluorescence quantum yield and environmental sensitivity. We find that certain fluorophores localize selectively at the endoplasmic reticulum, and interact with proteins involved in the stress signaling pathways. Notably, the mono-borylated compound responds selectively to the stress conditions by enhancing fluorescence, and detects avian influenza virus infection at the single-cell level. Our findings demonstrate the unprecedented practical utility of the stress-responsive molecular probes to differentiate cellular states for early diagnosis. Endoplasmic reticulum ; Cell biology ; Cell ; Virus ; Unfolded protein response ; Influenza A virus ; Fluorescence ; Influenza A virus subtype H5N1 ; Chemistry ; Biology ; Virology ; Biochemistry ; Physics Luminescence and Fluorescent Materials ; Adenosine and Purinergic Signaling ; Click Chemistry and Applications
Authors: Daniil Bash | Frederick Hubert Chenardy | Zekun Ren | Jayce Jian Wei Cheng | Tonio Buonassisi | Ricardo Oliveira | Jatin Kumar | Kedar Hippalgaonkar
Source: Digital Discovery (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Accelerated automated screening of viscous graphene suspensions with various surfactants for optimal electrical conductivity We robotically produce 288, full-factorial sampled, unique graphene-based drop-casted films, perform automated computer-vision detection followed by thickness and electrical conductivity measurements minimizing human time to ∼17% of the workflow. Graphene ; Workflow ; Conductivity ; Electrical resistivity and conductivity ; Materials science ; Drop (telecommunication) ; Factorial experiment ; Nanotechnology ; Computer science ; Composite material ; Machine learning ; Physics ; Engineering ; Electrical engineering ; Telecommunications Graphene research and applications ; Advanced Sensor and Energy Harvesting Materials ; Advanced Memory and Neural Computing
Authors: Alexey N. Beskopylny | Sergey A. Stel’makh | Evgenii M. Shcherban’ | Levon R. Mailyan | Besarion Meskhi | Innessa Efremenko | В. Н. Варавка | Nikita Beskopylny | Natal’ya Dotsenko
Source: Polymers (article, 2022-04-26)
Field: Materials Science — Materials Chemistry

Modeling and Experimental Verification of the Performance of Polymer Composite Reinforcing Bars of Different Types in Concrete of Different Density Currently, there is a scientific and practical deficit in new methods of integrated technological and design solutions based on improving the properties of concrete as the primary material that perceives compressive loads, and its joint work with various types of reinforcing rods. A new system using an integrated engineering approach to the design of building structures is proposed, which involves minimizing their cost and weight through numerical simulations and an experimental verification of the operation of reinforcing bars made of various materials in concrete of various densities. The control of the bearing capacity of reinforced building structures on the example of compressed elements is proposed to be carried out using the developed recipe-technological methods at the manufacturing stage. The economic and environmental efficiency of nano modification with the help of production waste and the use of lightweight dispersion-reinforced concrete to obtain such structures was revealed. The most effective concrete formulations showed strength gains ranging from 10% to 34%. Ultimately, this led to an increase in the bearing capacity of the elements up to 30%. The application of such an integrated lean approach will allow saving up to 20% of resources during construction. Compressive strength ; Composite number ; Bearing capacity ; Materials science ; Work (physics) ; Recipe ; Structural engineering ; Computer science ; Composite material ; Mechanical engineering ; Engineering Structural mechanics and materials ; Advanced Energy Technologies and Civil Engineering Innovations ; Innovative concrete reinforcement materials
Authors: Huifang Bi | Chunjiang An | Catherine N. Mulligan | Zhi Chen | Kenneth Lee | Jiyuan Wen | Zhaonian Qu | Xinya Chen
Source: Journal of Marine Science and Engineering (article, 2022-08-12)
Field: Materials Science — Biomaterials

Application of Phase-Selective Organogelators (PSOGs) for Marine Oil Spill Remediation Oil spill incidents frequently cause serious impacts on the ecosystem, society, and economy. To cope with this problem, the use of phase-selective organogelators (PSOGs) has been developed in recent years as a promising oil spill response tool, which can congeal oils from biphasic systems, accelerating oil removal and recovery and reducing impacts on the environment. This article systematically reviews reported technologies for the use of PSOGs for potential oil spill remediation in the literature from January 2016 to May 2022. It discusses several kinds of PSOGs based on molecular structures which are possible for gelling oil in the presence of water/seawater. Their mechanisms for phase-selective gelation are summarized, including hydrogen bonding, π–π stacking interactions, van der Waals force, hydrophobic interactions, etc. The currently possible deployment methods for the application of PSOGs are explored; carrier solvents and powder form are frequently used. Moreover, the challenges and the corresponding recommendations regarding standardized testing protocols and evaluation framework, gelation selectivity, as well as challenges in field tests, are further discussed. Oil spill ; Environmental remediation ; Stacking ; Phase (matter) ; Software deployment ; Environmental science ; Biochemical engineering ; Computer science ; Petroleum engineering ; Chemistry ; Environmental protection ; Geology ; Contamination ; Ecology ; Organic chemistry ; Engineering Supramolecular Self-Assembly in Materials ; Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection
Authors: Youyou Wang | Jian Yang | S.K. Yu | Haiyan Fu | Song He | Bin Yang | Tiegui Nan | Yuwei Yuan | Luqi Huang
Source: Frontiers in Sustainable Food Systems (article, 2022-10-26)
Field: Chemistry — Analytical Chemistry

Prediction of chemical indicators for quality of Zanthoxylum spices from multi-regions using hyperspectral imaging combined with chemometrics Fruits of Zanthoxylum bungeanum Maxim (Red “Huajiao,” RHJ) and Z. schinifolium Sieb. et Zucc. (Green “Huajiao,” GHJ) are famous spices around the world. Antioxidant capability (AOC), total alkylamides content (TALC) and volatile oil content (VOC) in HJ are three important quality indicators and lack rapid and effective methods for detection. Non-destructive, time-saving, and effective technology of hyperspectral imaging (HSI) combined with chemometrics was adopted to improve the indicators prediction in this study. Results showed that the three chemical indexes exhibited significant differences between different regions and varieties ( P &amp;lt; 0.05). Specifically, the mass percentages of TALC were 11–22% in RHJ group and 21–36% in GHJ group. The mass percentages of VOC content were 23–31% and 16–24% in RHJ and GHJ groups, respectively. More importantly, these indicators could be well predicted based on the full or effective HSI wavelengths via model adaptive space shrinkage (MASS) and iteratively variable subset optimization (IVSO) selections combined with wavelet transform (WT) method for noise reduction. The best prediction results of AOC, TALC, and VOC indicators were achieved with the highest residual predictive deviation (RPD) values of 7.43, 7.82, and 3.73 for RHJ, respectively, and 6.82, 2.66, and 4.64 for GHJ, respectively. The above results highlight the great potential of HSI assisted with chemometrics in the rapid and effective prediction of chemical indicators of Zanthoxylum spices. Chemometrics ; Hyperspectral imaging ; Partial least squares regression ; VNIR ; Principal component analysis ; Mathematics ; Chemistry ; Food science ; Statistics ; Chromatography ; Artificial intelligence ; Computer science Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Essential Oils and Antimicrobial Activity
Authors: Lukas W. Bingel | Krista S. Walton | David S. Sholl
Source: Journal of Chemical & Engineering Data (article, 2022-02-07)
Field: Chemistry — Inorganic Chemistry

Experimentally Verified Alkane Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis Identification of independent experimental replicate measurements of well-defined physical properties provides a useful way to assess the reproducibility of literature reports of these properties. Prior meta-analysis of this kind for single-component adsorption of CO2 and alcohols in nanoporous materials showed that ∼20% of reported isotherms for these molecules were inconsistent with available replicate measurements. In this paper, we extend this analysis to the single-component adsorption of alkanes in nanoporous materials using a collection of 2998 experimental isotherms. Among these isotherms, 846 replicates were identified and analyzed. Many more replicates are available for CH4 adsorption than for any other alkane. Our analysis finds that 15% of the replicate alkane isotherms are inconsistent with other replicate measurements. After discarding these outlier isotherms we report graphical and numerical consensus isotherms for 93 independent combinations of adsorbate, adsorbent, and temperature as well as an assessment of another 124 independent systems for which two replicate isotherms are available. Replicate ; Nanoporous ; Adsorption ; Alkane ; Thermodynamics ; Materials science ; Chemistry ; Chromatography ; Physical chemistry ; Organic chemistry ; Statistics ; Nanotechnology ; Mathematics ; Hydrocarbon ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Covalent Organic Framework Applications
Authors: Van Thang Nguyen | Александров Евгений Николаевич | Rogachev Konstantinovich
Source: Istrazivanja i projektovanja za privredu (article, 2022-01-01)
Field: Chemistry — Analytical Chemistry

An extensive solution to prevent wax deposition formation in gas-lift wells In recent years, an insurmountable problem in high-wax oil production has been the intensive formation of organic deposits in the bottom-hole zone of the formation, downhole and surface equipment, leading to a dramatic loss in wells production, transportation capability, and subsequently has a detrimental effect on efficiency. Gas-lift is a widely used method, where compressed high-pressure gas is injected through the tubing annulus. Consequently, the current fluid level in the annulus decreases and increases in the tubing string. The compressed gas enters the tubing through gas-lift valves, mixing with the liquid. During production, changes in pressure, temperature, and fluid composition along the well bore highly depend upon the compressed gas injected into the well. At temperatures below the wax appearance temperature, organic wax crystals will form either in bulk volumes of fluid or on cold surfaces of equipment, consequently, covering the surface. Wax formation is a hazardous and costly task in the oil and gas industry, especially when operating gas-lift wells. Hence, the prevention of wax formation in gas-lift wells is of utmost importance. Although, numerous methods have been implemented to handle the wax formation problem in recent decades, questions concerning their economic viability as well as their effectiveness remain relevant. In this paper, a complete algorithm for determining changes in the oil component composition in a gas-lift well during the injection of associated petroleum gas is detailed. The obtained results play a pivotal role in the study of wax deposition. A technological scheme has been developed to prevent wax deposit formation in the tubing strings during gas-lift well operation. A simulation using the introduced process and technology has been run, and an observed result obtained. After running the simulation, we determined the optimal composition of the associated petroleum injection gas based on the required flow rate of the working agent and the lowest value of the wax appearance temperature. This method offers potential solutions to increasing gas-lift well production efficiency under complex wax formation conditions. Gas lift ; Wax ; Petroleum engineering ; Annulus (botany) ; Artificial lift ; Associated petroleum gas ; Tray ; Oil well ; Compressed natural gas ; Petroleum ; Natural gas ; Lift (data mining) ; Deposition (geology) ; Materials science ; Environmental science ; Chemistry ; Geology ; Waste management ; Composite material ; Mechanical engineering ; Engineering ; Organic chemistry Petroleum Processing and Analysis ; Reservoir Engineering and Simulation Methods ; Enhanced Oil Recovery Techniques
Authors: Rika Tandiana | Cécile Sicard‐Roselli | Nguyen‐Thi Van‐Oanh | Stephan N. Steinmann | Carine Clavaguéra
Source: Physical Chemistry Chemical Physics (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

In-depth theoretical understanding of the chemical interaction of aromatic compounds with a gold nanoparticle Gold Nanoparticles (GNPs), owing to their unique properties and versatile preparation strategy, have been demonstrated to exhibit promising applications in diverse fields, which include bio-sensors, catalysts, nanomedicines and radiotherapy. Yet, the nature of the interfacial interaction of GNPs with their chemical environment remains elusive. Experimental vibrational spectroscopy can reveal different interactions of aromatic biological molecules absorbed on GNPs, that may result from changes in the orientation of the molecule. However, the presence of multiple functional groups and the aqueous solvent introduces competition, and complexifies the spectral interpretations. Therefore, our objective is to theoretically investigate the adsorption of aromatic molecules containing various functional groups on the surface of GNPs to comparatively study their preferred adsorption modes. The interaction between Au<sub>32</sub>, as a model of GNPs, and a series of substituted aromatic compounds that includes benzene, aniline, phenol, toluene, benzoic acid, acetophenone, methyl benzoate, and thiophenol, is investigated. Our computed interaction energies highlight the preference of the aromatic ring to lie flat on the surface. The orientations of the molecules can be distinguished using infrared spectroscopy along with strong changes in intensity and significant shifts of some vibrational modes when the molecule interacts with the GNP. The interaction energy and the electron transfer between the nanoparticle and the aromatic molecule are not found to correlate, possibly because of significant back donation of electrons from GNPs to organic molecules as revealed by charge decomposition analysis. A thorough quantum topological analysis identifies multiple non-covalent interactions and assigns the nature of the interaction mostly to dative interactions between the aromatic ring and the GNP as well as dispersive interaction. Finally, energy decomposition analyses point out the role of the charge transfer energy contribution in the subtle balance of the different physical components. Nanoparticle ; Molecule ; Infrared spectroscopy ; Colloidal gold ; Decomposition ; Nanotechnology ; Infrared ; Spectroscopy ; Materials science ; Chemistry ; Chemical physics ; Computational chemistry ; Organic chemistry ; Physics ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Computational Drug Discovery Methods ; Advanced Chemical Physics Studies