jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ning Ai | Yibo Jiang | Sainab Omar | Jiawei Wang | Luyue Xia | Jie Ren
Source: Molecules (article, 2022-01-06)
Field: Chemistry — Analytical Chemistry

Rapid Measurement of Cellulose, Hemicellulose, and Lignin Content in Sargassum horneri by Near-Infrared Spectroscopy and Characteristic Variables Selection Methods Near-infrared (NIR) spectroscopy and characteristic variables selection methods were used to develop a quick method for the determination of cellulose, hemicellulose, and lignin contents in <i>Sargassum horneri</i>. Calibration models for cellulose, hemicellulose, and lignin in <i>Sargassum horneri</i> were established using partial least square regression methods with full variables (full-PLSR). The PLSR calibration models were established by four characteristic variables selection methods, including interval partial least square (iPLS), competitive adaptive reweighted sampling (CARS), correlation coefficient (CC), and genetic algorithm (GA). The results showed that the performance of the four calibration models, namely iPLS-PLSR, CARS-PLSR, CC-PLSR, and GA-PLSR, was better than the full-PLSR calibration model. The iPLS method was best in the performance of the models. For iPLS-PLSR, the determination coefficient (R<sup>2</sup>), root mean square error (RMSE), and residual predictive deviation (RPD) of the prediction set were as follows: 0.8955, 0.8232%, and 3.0934 for cellulose, 0.8669, 0.4697%, and 2.7406 for hemicellulose, and 0.7307, 0.7533%, and 1.9272 for lignin, respectively. These findings indicate that the NIR calibration models can be used to predict cellulose, hemicellulose, and lignin contents in <i>Sargassum horneri</i> quickly and accurately. Hemicellulose ; Partial least squares regression ; Coefficient of determination ; Lignin ; Calibration ; Cellulose ; Mean squared error ; Chemistry ; Mathematics ; Statistics ; Biochemistry Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Mohammad Hemmat Esfe | Soheyl Alidoust | Erfan Mohammadnejad Ardeshiri | Mohammad Hasan Kamyab | Davood Toghraie
Source: Nanoscale Research Letters (article, 2022-01-04)
Field: Materials Science — Materials Chemistry

Experimental Study of Rheological Behavior of MWCNT-Al2O3/SAE50 Hybrid Nanofluid to Provide the Best Nano-lubrication Conditions In this study, MWCNT-Al<sub>2</sub>O<sub>3</sub> hybrid nanoparticles with a composition ratio of 50:50 in SAE50 base oil are used. This paper aims to describe the rheological behavior of hybrid nanofluid based on temperature, shear rate ([Formula: see text] and volume fraction of nanoparticles ([Formula: see text]) to present an experimental correlation model. Flowmetric methods confirm the non-Newtonian behavior of the hybrid nanofluid. The highest increase and decrease in viscosity ([Formula: see text]) in the studied conditions are measured as 24% and - 17%, respectively. To predict the experimental data, the five-point-three-variable model is used in the response surface methodology with a coefficient of determination of 0.9979. Margin deviation (MOD) of the data is determined to be within the permissible limit of - 4.66% < MOD < 5.25%. Sensitivity analysis shows that with a 10% increase in [Formula: see text] at [Formula: see text] 1%, the highest increase in [Formula: see text] of 34.92% is obtained. Nanofluid ; Nanochemistry ; Materials science ; Rheology ; Lubrication ; Nano- ; Nanotechnology ; Composite material ; Nanoparticle Diamond and Carbon-based Materials Research ; Nanofluid Flow and Heat Transfer ; Tribology and Wear Analysis
Authors: Nurlan Zhangabay | Bayan Sapargaliyeva | Akmaral Utelbayeva | Alexandr Kolesnikov | Zhumadilla Aldiyarov | Serik Dossybekov | Esenbek Esimov | Bolat Duissenbekov | Роман Федюк | Nikolai Vatin | Myrzabek Yermakhanov | Saule Mussayeva
Source: Materials (article, 2022-07-18)
Field: Materials Science — Materials Chemistry

Experimental Analysis of the Stress State of a Prestressed Cylindrical Shell with Various Structural Parameters The paper presents the results of experimental studies of the features of the operation of prestressed shells, taking into account the various structural parameters of the prestress. It is established that when the winding angle changes from perpendicular to the shell axis to 75° and 65°, the circumferential stresses decrease 1.4 times and 1.2 times, respectively, and the axial stresses increase five and three times, which are two and four times lower than the circumferential, from which it can be concluded that the reduction in the winding angle to the longitudinal the axis of the shell has a positive effect on the stress state of the structure. The study also found that with an increase in the diameter of the winding wire from 1 to 2 mm and a change in the winding angle, the same nature of the stress distribution is observed, but the values of the stress state parameter change, so the efficiency increases up to 25% due to an increase in the winding thickness, depending on the pitch, angle and thickness of the winding, which favorably affects the strength and the bearing capacity of the structure as a whole by increasing the value of the stress state parameter. Thus, the results of the analysis will allow us to use in more detail the possibility of controlling the stress-strain state of the prestressed shell by changing the design parameters, and the results obtained can be used in design or construction, as well as when increasing the strength characteristics of the structure, which allows us to create a high-tech design optimal for these operating conditions, which can positively complement the studies conducted earlier in this direction. Shell (structure) ; Materials science ; Stress (linguistics) ; Structural engineering ; Perpendicular ; Composite material ; Cylinder stress ; Stress–strain curve ; Mechanics ; Ultimate tensile strength ; Engineering ; Physics ; Geometry ; Deformation (meteorology) ; Mathematics Structural mechanics and materials ; Material Properties and Failure Mechanisms ; Industrial Engineering and Technologies
Authors: Jennifer L. Bonetti | Saer Samanipour | Arian van Asten
Source: Analytical Chemistry (article, 2022-03-17)
Field: Chemistry — Spectroscopy

Utilization of Machine Learning for the Differentiation of Positional NPS Isomers with Direct Analysis in Real Time Mass Spectrometry The differentiation of positional isomers is a well established analytical challenge for forensic laboratories. As more novel psychoactive substances (NPSs) are introduced to the illicit drug market, robust yet efficient methods of isomer identification are needed. Although current literature suggests that Direct Analysis in Real Time-Time-of-Flight mass spectrometry (DART-ToF) with in-source collision induced dissociation (is-CID) can be used to differentiate positional isomers, it is currently unclear whether this capability extends to positional isomers whose only structural difference is the precise location of a single substitution on an aromatic ring. The aim of this work was to determine whether chemometric analysis of DART-ToF data could offer forensic laboratories an alternative rapid and robust method of differentiating NPS positional ring isomers. To test the feasibility of this technique, three positional isomer sets (fluoroamphetamine, fluoromethamphetamine, and methylmethcathinone) were analyzed. Using a linear rail for consistent sample introduction, the three isomers of each type were analyzed 96 times over an eight-week timespan. The classification methods investigated included a univariate approach, the Welch <i>t</i> test at each included ion; a multivariate approach, linear discriminant analysis; and a machine learning approach, the Random Forest classifier. For each method, multiple validation techniques were used including restricting the classifier to data that was only generated on one day. Of these classification methods, the Random Forest algorithm was ultimately the most accurate and robust, consistently achieving out-of-bag error rates below 5%. At an inconclusive rate of approximately 5%, a success rate of 100% was obtained for isomer identification when applied to a randomly selected test set. The model was further tested with data acquired as a part of a different batch. The highest classification success rate was 93.9%, and error rates under 5% were consistently achieved. Chemistry ; Random forest ; Structural isomer ; Linear discriminant analysis ; Mass spectrometry ; Univariate ; DART ion source ; Artificial intelligence ; Classifier (UML) ; Pattern recognition (psychology) ; Multivariate statistics ; Chromatography ; Machine learning ; Computer science ; Stereochemistry ; Ion ; Ionization Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Analytical Chemistry and Chromatography
Authors: Çağrı Çavdaroğlu | Banu Özen
Source: Food Chemistry (article, 2022-01-15)
Field: Chemistry — Analytical Chemistry

Detection of vinegar adulteration with spirit vinegar and acetic acid using UV–visible and Fourier transform infrared spectroscopy Adulterant ; Acetic acid ; Fourier transform infrared spectroscopy ; Chemistry ; Chromatography ; Infrared spectroscopy ; Food science ; Organic chemistry ; Physics Spectroscopy and Chemometric Analyses ; Fermentation and Sensory Analysis ; Phytochemicals and Antioxidant Activities
Authors: Lavita J. Martis | N. Parushuram | Y. Sangappa
Source: Environmental Science Advances (article, 2022-01-01)
Field: Materials Science — Biomaterials

Preparation, characterization, and methylene blue dye adsorption study of silk fibroin–graphene oxide nanocomposites In the current study, an attempt was made to fabricate silk fibroin/graphene oxide (SF/GO) blend films. Fibroin ; Methylene blue ; Nanocomposite ; Graphene ; Adsorption ; Materials science ; Oxide ; Characterization (materials science) ; Chemical engineering ; SILK ; Polymer chemistry ; Polymer science ; Nanotechnology ; Composite material ; Chemistry ; Organic chemistry ; Catalysis Silk-based biomaterials and applications ; Graphene and Nanomaterials Applications ; Electrospun Nanofibers in Biomedical Applications
Authors: Xiaona Zhao | Xiaoli Zhou | Siyu Yang | Min Yuan | Jie‐Jie Chen | Xian‐Wei Liu
Source: Nature Communications (article, 2022-12-22)
Field: Materials Science — Materials Chemistry

Plasmonic imaging of the layer-dependent electrocatalytic activity of two-dimensional catalysts Studying the localized electrocatalytic activity of heterogeneous electrocatalysts is crucial for understanding electrocatalytic reactions and further improving their performance. However, correlating the electrocatalytic activity with the microscopic structure of two-dimensional (2D) electrocatalysts remains a great challenge due to the lack of in situ imaging techniques and methods of tuning structures with atomic precision. Here, we present a general method of probing the layer-dependent electrocatalytic activity of 2D materials in situ using a plasmonic imaging technique. Unlike the existing methods, this approach was used to visualize the surface charge density and electrocatalytic activity of single 2D MoS<sub>2</sub> nanosheets, enabling the correlation of layer-dependent electrocatalytic activity with the surface charge density of single MoS<sub>2</sub> nanosheets. This work provides insights into the electrocatalytic mechanisms of 2D transition metal dichalcogenides, and our approach can serve as a promising platform for investigating electrocatalytic reactions at the heterogeneous interface, thus guiding the rational design of high-performance electrocatalysts. Materials science ; Nanotechnology ; Electrocatalyst ; Layer (electronics) ; Plasmon ; Catalysis ; Electrode ; Transition metal ; Chemistry ; Electrochemistry ; Optoelectronics ; Physical chemistry 2D Materials and Applications ; Electrocatalysts for Energy Conversion ; Advanced Photocatalysis Techniques
Authors: Li Zhou | Lei Xu | Xue Song | Shu‐Ming Kang | Na Liu | Zong‐Quan Wu
Source: Nature Communications (article, 2022-02-10)
Field: Chemistry — Organic Chemistry

Nickel(II)-catalyzed living polymerization of diazoacetates toward polycarbene homopolymer and polythiophene-block-polycarbene copolymers Diazoacetate polymerization has attracted considerable research attention because it is an effective approach for fabricating carbon-carbon (C-C) main chain polymers. However, diazoacetate polymerization based on inexpensive catalysts has been a long-standing challenge. Herein, we report a Ni(II) catalyst that can promote the living polymerization of various diazoacetates, yielding well-defined C-C main chain polymers, polycarbenes, with a predictable molecular weight (M<sub>n</sub>) and low dispersity (M<sub>w</sub>/M<sub>n</sub>). Moreover, the Ni(II)-catalyzed sequential living polymerization of thiophene and diazoacetate monomers affords interesting π-conjugated poly(3-hexylthiophene)-block-polycarbene copolymers in high yields with a controlled M<sub>n</sub>, variable compositions, and low M<sub>w</sub>/M<sub>n</sub>, although the structure and polymerization mechanism of the two monomers differ. Using this strategy, amphiphilic block copolymers comprising hydrophobic poly(3-hexylthiophene) and hydrophilic polycarbene blocks are facilely prepared, which were self-assembled into well-defined supramolecular architectures with tunable photoluminescence. Polythiophene ; Copolymer ; Polymerization ; Catalysis ; Nickel ; Materials science ; Block (permutation group theory) ; Polymer chemistry ; Chemical engineering ; Chemistry ; Polymer ; Organic chemistry ; Conductive polymer ; Metallurgy ; Composite material Cyclopropane Reaction Mechanisms ; Organometallic Complex Synthesis and Catalysis ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Authors: Kai Guo | Hai Lu | Guojing Xu | D. Liu | H.B. Wang | X.M. Liu | Xiaoyan Song
Source: Materials Today Chemistry (article, 2022-06-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent progress in nanocrystalline Sm–Co based magnets Nanocrystalline material ; Materials science ; Magnet ; Curie temperature ; Engineering physics ; Doping ; Thermal stability ; Nanotechnology ; Ferromagnetism ; Condensed matter physics ; Mechanical engineering ; Optoelectronics ; Chemical engineering ; Engineering ; Physics Magnetic Properties of Alloys ; Magnetic properties of thin films ; Magnetic and transport properties of perovskites and related materials
Authors: Xing Zhou | Yaya Hao | Yaxin Li | Jiahe Peng | Guosheng Wang | Wee‐Jun Ong | Neng Li
Source: Nano Select (article, 2022-04-20)
Field: Materials Science — Materials Chemistry

MXenes: An emergent materials for packaging platforms and looking beyond Abstract MXenes have been employed as two‐dimensional (2D) nanostructured fillers in polymers matrix to design composites, which have tailored multi‐functional properties with great potential applications in catalysis, sensor, energy storage, membrane and biomedicine areas. Analogous to 2D materials such as graphene and hexagonal boron nitrides, MXenes serve as robust support to expand a significant pathway to prepare composites. This paper outlines an overview of the recent development of MXenes and MXenes‐based composites decorated by functional properties that potentially hold a promise on the packaging applications. A particular emphasis is to illustrate the essential properties of MXenes/polymer membrane intended food packaging such as barrier and antibacterial properties, biocompatibility and thermal stability. Furthermore, the progress and emergent values are presented in the perspective of instrumentation packaging that broadens prospects for antistatic, electromagnetic shielding and invisibility purposes. As a whole, this review promotes an emerging field to formulate the good ingredient of food packaging and safety to produce green and versatile membranes with high barrier performance. Finally, challenges and insightful perspectives for the application of MXenes in the packaging area are elucidated. MXenes ; Nanotechnology ; Materials science MXene and MAX Phase Materials ; Electromagnetic wave absorption materials ; Advanced Sensor and Energy Harvesting Materials
Authors: Mengfan Zhang | Xiaotong Peng | Penghui Fan | Yingshan Zhou | Pu Xiao
Source: Macromolecular Chemistry and Physics (article, 2022-02-01)
Field: Materials Science — Biomaterials

Recent Progress in Preparation and Application of Fibers Using Microfluidic Spinning Technology Abstract Microscale fibrous materials with high surface areas and ordered structures have attracted widespread attention recently. Microfluidic spinning technology that can effectively control the sizes, structures, and material compositions of fibers has emerged as a robust approach for the fabrication of high‐performance fibers. In this review, the microfluidic spinning technology used to prepare fibrous materials in terms of preparation principles and geometric configurations is presented. Additionally, several applications of fibers spun by microfluidic spinning technology, especially in tissue engineering, drug release, flexible electronics, water collection, and surgical suturing are introduced. Finally, the current challenges and perspectives of this technology are discussed. Microfluidics ; Microscale chemistry ; Spinning ; Nanotechnology ; Materials science ; Fabrication ; Electronics ; Composite material ; Engineering ; Electrical engineering Electrospun Nanofibers in Biomedical Applications ; Innovative Microfluidic and Catalytic Techniques Innovation ; 3D Printing in Biomedical Research
Authors: Natasha Manners | Vishnu Priya | Abhishesh Kumar Mehata | Manoj Rawat | Syam Mohan | Hafiz A. Makeen | Mohammed Albratty | Ali Albarrati | Abdulkarim M. Meraya | Madaswamy S. Muthu
Source: Pharmaceuticals (review, 2022-04-01)
Field: Materials Science — Biomaterials

Theranostic Nanomedicines for the Treatment of Cardiovascular and Related Diseases: Current Strategies and Future Perspectives Cardiovascular and related diseases (CVRDs) are among the most prevalent chronic diseases in the 21st century, with a high mortality rate. This review summarizes the various nanomedicines for diagnostic and therapeutic applications in CVRDs, including nanomedicine for angina pectoris, myocarditis, myocardial infarction, pericardial disorder, thrombosis, atherosclerosis, hyperlipidemia, hypertension, pulmonary arterial hypertension and stroke. Theranostic nanomedicines can prolong systemic circulation, escape from the host defense system, and deliver theranostic agents to the targeted site for imaging and therapy at a cellular and molecular level. Presently, discrete non-invasive and non-surgical theranostic methodologies are such an advancement modality capable of targeted diagnosis and therapy and have better efficacy with fewer side effects than conventional medicine. Additionally, we have presented the recent updates on nanomedicine in clinical trials, targeted nanomedicine and its translational challenges for CVRDs. Theranostic nanomedicine acts as a bridge towards CVRDs amelioration and its management. Nanomedicine ; Medicine ; Intensive care medicine ; Angina ; Myocardial infarction ; Internal medicine ; Nanotechnology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Advanced Biosensing Techniques and Applications
Authors: Kundo Park | Youngsoo Kim | Minki Kim | Chihyeon Song | Jinkyoo Park | Seunghwa Ryu
Source: Composites Science and Technology (article, 2022-01-05)
Field: Materials Science — Biomaterials

Designing staggered platelet composite structure with Gaussian process regression based Bayesian optimization Materials science ; Toughness ; Kriging ; Gaussian process ; Computer science ; Composite material ; Algorithm ; Gaussian ; Machine learning Calcium Carbonate Crystallization and Inhibition ; Machine Learning in Materials Science ; Bone Tissue Engineering Materials
Authors: Domenico Giora | Giuditta Marchetti | Silvia Cappellozza | Alberto Assirelli | Alessio Saviane | Luigi Sartori | Francesco Marinello
Source: Insects (review, 2022-06-23)
Field: Materials Science — Biomaterials

Bibliometric Analysis of Trends in Mulberry and Silkworm Research on the Production of Silk and Its By-Products Traditionally, sericulture is meant as the agricultural activity of silk production, from mulberry (<i>Morus</i> sp.pl.) cultivation to silkworm (<i>Bombyx mori</i> L.) rearing. The aim of the present work is to analyze the trends and outputs of scientific research on sericulture-related topics during the last two decades, from 2000 to 2020. In this work the authors propose a text-mining analysis of the titles, abstracts and keywords of scientific articles focused on sericulture and available in the SCOPUS database considering the above-mentioned period of time; from this article collection, the 100 most recurrent terms were extracted and studied in detail. The number of publications per year in sericulture-related topics increased from 87 in 2000 to 363 in 2020 (+317%). The 100 most recurrent terms were then aggregated in clusters. The analysis shows how in the last period scientific research, besides the traditional themes of sericulture, also focused on alternative products obtainable from the sericultural practice, as fruits of mulberry trees (increment of +134% of the occurrences in the last five years) and chemical compounds as antioxidants (+233% of occurrences), phenolics (+330% of occurrences) and flavonoids (+274% of occurrences). From these considerations, the authors can state how sericulture is an active and multidisciplinary research field. Sericulture ; Biology ; Biotechnology ; Bombyx mori ; Agriculture ; Toxicology ; Ecology Silk-based biomaterials and applications ; Silkworms and Sericulture Research ; Insect Utilization and Effects
Authors: San‐Tai Wang | Ya‐Jie Liu | Chengcheng Feng | Wei‐Hui Fang | Jian Zhang
Source: Aggregate (article, 2022-08-26)
Field: Chemistry — Inorganic Chemistry

The largest aluminum molecular rings: Phenol‐thermal synthesis, photoluminescence, and optical limiting Abstract It is of great interest to modulate the photophysical properties by atomically precise chemical control. The incorporation of conjugated ligands into crystalline materials provides a platform for molecular‐level interpretation of the structure‐activity relationship. Herein, we reported the phenol‐thermal and scale‐up synthesis of a new family of remarkably stable aluminum molecular rings. They are assembled by twenty Al III ions with large conjugated ligands and phenols, representing the currently largest sizes (up to 4 nm in diameter) in the field of main group metal oxo clusters. Phenols are not only reaction medium but also auxiliary bridging ligands on the surface of macrocyclic molecules. In addition, they are either parallel to the center of the molecular ring or inserted into the molecular ring, or form dimers/tetramers that bind macrocyclic molecules to form supramolecular structures. These macrocyclic rings are hydrophobic and ultra‐stable, evidenced by retaining their morphology and crystalline when exposed to air for more than a year. Compared with the pristine conjugated ligands, they exhibit coordination‐enhanced fluorescence. By dispersing them into a polydimethylsiloxane (PDMS) matrix, we prepared transparent and flexible PDMS thin films for coupling flexible display and nonlinear optical application. Our discovery of such atomically precise rings provides a platform for the fine‐tuning of photo‐related performances. Supramolecular chemistry ; Conjugated system ; Molecule ; Materials science ; Photoluminescence ; Thermal stability ; Polydimethylsiloxane ; Aromaticity ; Chemistry ; Nanotechnology ; Organic chemistry ; Polymer Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Polyoxometalates: Synthesis and Applications