jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alireza Talebi | Masoud Shafiei | Mehdi Escrochi | Yousef Kazemzadeh | Masoud Riazi
Source: The Canadian Journal of Chemical Engineering (article, 2024-04-15)
Field: Chemistry — Analytical Chemistry

Investigating the <scp> CO <sub>2</sub> </scp> injection and the performance of nanoparticles in preventing formation damage at different pressures and concentrations Abstract Asphaltene deposition is one of the main challenges during CO 2 injection (miscible or immiscible) into reservoirs. Asphaltene deposition reduces the porosity and permeability of reservoir rock and changes its wettability to strongly oil‐wet. In this article, to control the asphaltene deposition during CO 2 injection the use of direct asphaltene inhibitors (Al 2 O 3 and Fe 3 O 4 ) in reservoir conditions. In this research, nanoparticle screening (to investigate its significance in reducing asphaltene precipitation) has been done and it can be stated that Al 2 O 3 nanoparticle will perform better effectivity than Fe 3 O 4 nanoparticle. After that, by using effective nanoparticles (Al 2 O 3 ) in different concentrations (1000 and 2000 ppm), the amount of asphaltene deposition during CO 2 injection has been investigated. The obtained results show that increasing the injection pressure (from immiscible to miscible) causes an increase in asphaltene deposition and the use of nanoparticles will reduce the amount of asphaltene deposition. Asphaltene ; Nanoparticle ; Deposition (geology) ; Chemical engineering ; Wetting ; Permeability (electromagnetism) ; Porosity ; Enhanced oil recovery ; Materials science ; Water injection (oil production) ; Petroleum engineering ; Chemistry ; Nanotechnology ; Geology ; Composite material Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Hydrocarbon exploration and reservoir analysis
Authors: Lissa C. Anderson | Dina L. Bai | Greg T. Blakney | David Butcher | Larry Reser | Jeffrey Shabanowitz
Source: Molecular & Cellular Proteomics (article, 2024-11-06)
Field: Chemistry — Spectroscopy

The Hunt Lab Guide to De Novo Peptide Sequence Analysis by Tandem Mass Spectrometry Donald Hunt has made seminal contributions to the fields of proteomics, immunology, epigenetics, and glycobiology. The foundation of every important work to come out of the Hunt Laboratory is de novo peptide sequencing. For decades, he taught hundreds of students, postdocs, engineers, and scientists to directly interpret mass spectral data. To honor his legacy and ensure that the art of de novo sequencing is not lost, we have adapted his teaching materials into "The Hunt Lab Guide to De Novo Peptide Sequence Analysis by Tandem Mass Spectrometry". In addition to the de novo sequencing tutorials, we present two freely available software tools that facilitate manual interpretation of mass spectra and validation of search results. The first, "Hunt Lab Peptide Fragment Calculator", calculates precursor and fragment mass-to-charge ratios for any peptide. The second program, "Predator Protein Fragment Calculator", was inspired in part by the fragment calculator developed in the Hunt Lab. Its capabilities are enhanced to facilitate interpretation of mass spectral data derived from intact proteins. We hope that the combination of these educational tools will continue to benefit students and researchers by empowering them to interpret data on their own. Tandem mass spectrometry ; Mass spectrometry ; Tandem mass tag ; Protein mass spectrometry ; Chemistry ; Isobaric labeling ; Peptide ; Sequence (biology) ; Chromatography ; Proteomics ; Computational biology ; Biology ; Biochemistry ; Quantitative proteomics Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Analytical Chemistry and Chromatography
Authors: Yanxia Zhang | Rui Feng | Bojian Shi | Xiaoxin Li | Yanyu Gao | Wenya Gao | Qi Jia | Fangkui Sun | Yongyin Cao | Weiqiang Ding
Source: Photonics (article, 2024-09-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ultra-Compact Reflective Waveguide Mode Converter Based on Slanted-Surface and Subwavelength Metamaterials Mode converter (MC) is an indispensable element in the mode multiplexing and demultiplexing system. Most previously reported mode converters have been of the transmission type, while reflective mode converters are significantly lacking. In this paper, we propose an ultra-compact reflective mode converter (RMC) structure, which comprises a slanted waveguide surface coated with a metallic film and a subwavelength metamaterial refractive index modulation region. The results demonstrate that this RMC can achieve high-performance mode conversion within an extremely short conversion length. In the two-dimensional (2D) case, the conversion length for TE0–TE1 is only 810 nm, and the conversion efficiency reaches to 94.1% at the center wavelength of 1.55 μm. In a three-dimensional (3D) case, the TE0–TE1 mode converter is only 1.14 μm, with a conversion efficiency of 92.5%. Additionally, for TE0–TE2 mode conversion, the conversion size slightly increases to 1.4 μm, while the efficiency reaches 94.2%. The proposed RMC demonstrates excellent performance and holds great potential for application in various integrated photonic devices. Metamaterial ; Optics ; Waveguide ; Optoelectronics ; Materials science ; Mode (computer interface) ; Surface (topology) ; Split-ring resonator ; Physics ; Computer science Metamaterials and Metasurfaces Applications ; Photonic and Optical Devices ; Advanced Antenna and Metasurface Technologies
Authors: Xifeng Qin | Tun Lu | Zhiqing Pang
Source: Acta Pharmaceutica Sinica B (article, 2024-06-25)
Field: Materials Science — Materials Chemistry

Advancing cancer nanomedicine with machine learning Nanomedicine ; Cancer ; Medicine ; Computer science ; Artificial intelligence ; Medical physics ; Engineering ; Nanotechnology ; Materials science ; Internal medicine ; Nanoparticle Machine Learning in Materials Science ; Computational Drug Discovery Methods
Authors: Máté Ficzere | Anna Diószegi | Attila Farkas | Béla Weiss | Lilla Alexandra Mészáros | Zsombor Kristóf Nagy
Source: International Journal of Pharmaceutics (article, 2024-12-07)
Field: Chemistry — Analytical Chemistry

High throughput in-line content uniformity measurement of tablets based on real-time UV imaging Throughput ; Content (measure theory) ; Line (geometry) ; Materials science ; Chemistry ; Computer science ; Mathematics ; Telecommunications Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Water Quality Monitoring and Analysis
Authors: Zhaohui Zhan | Lusheng Wang
Source: Bioinformatics (article, 2024-03-18)
Field: Chemistry — Spectroscopy

Fast peak error correction algorithms for proteoform identification using top-down tandem mass spectra The source code of the algorithm is available at https://github.com/Zeirdo/TopMGFast. Identification (biology) ; Computer science ; Algorithm ; Tandem ; Biology Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Nazlı Üren
Source: Deu Muhendislik Fakultesi Fen ve Muhendislik (article, 2024-01-23)
Field: Materials Science — Polymers and Plastics

Determining Deformation and Recovery Characteristics of Woven Fabrics Using A Novel Instrument Deformation and recovery characteristics of fabrics are important factors to be considered when evaluating comfort and formability. In this study, deformation (D), elasticity (E), plasticity (P) and hysteresis (H) properties of nine woven fabrics made of cotton and its blends were measured by Tactile Sensation Analyzer (TSA), and the relations between obtained results and low-stress mechanical properties (compressibility, bending rigidity, extensibility, shear resistance), structural properties (mass per unit area, thread count) and formability were investigated. Parameters which indicate the magnitude of out-of-plane deformation (D and E) were found out to be strongly related to bending, shear and extension properties. Recovery characteristics of fabrics - plasticity and hysteresis - were observed to be highly related to bending length and extensibility recorded under 5 N/m load. Moreover, parameters P and H were noted to be moderatly related to mass per unit area, thread count and resistance to repeated shear deformation. In addition to these findings, formability of cotton blended woven fabrics was detected to be significantly corelated with deformation and elasticity parameters measured by TSA. Materials science ; Mathematics Textile materials and evaluations ; Ergonomics and Musculoskeletal Disorders ; Mechanical Behavior of Composites
Authors: Yongnian Zhang | Yinhe Chen | Zhenwei Chang | Jie Zhao | Xiaochan Wang | Jieyu Xian
Source: Agronomy (article, 2024-08-18)
Field: Chemistry — Analytical Chemistry

Detection of Localized Damage in Tomato Based on Bioelectrical Impedance Spectroscopy This paper proposes a method for localized damage detection in tomato, with the objective of enabling the detection of bruises prior to sorting. Bioimpedance spectroscopy technology is employed to assess the extent of localized damage in tomato. An equivalent circuit model is constructed, and the impedance spectroscopy data are obtained by developing a local damage measurement platform for tomatoes using a self-designed circular four-electrode BIS sensor. The electrical parameters are then extracted by fitting the constructed equivalent circuit model to the tomato data. Subsequently, we analyze the variation rules of the electrical parameters in different damage levels. To reduce the dimensionality of the features, including biological variables, fitted electrical parameters, and tomato ripeness, we employ Spearman feature selection. We then classify the reduced features by combining the advantages of the support vector machine and the artificial neural network. The results demonstrate that the designed circular four-electrode BIS sensor can non-destructively measure localized damage conditions in tomato. A localized damage measurement platform for tomatoes has been constructed using this sensor. A comparison of the impedance measurements obtained using the designed circular four-electrode BIS sensor with those obtained using a needle sensor proposed by previous scholars revealed that both sensors exhibited a decrease in impedance with increasing damage degree. This finding indicates that the designed circular four-electrode BIS sensor is an effective tool for characterizing damage conditions in tomatoes. The design of the tomato circular four-electrode BIS sensor is an effective means of characterizing tomato damage. The Spearman-SVM-ANN damage classification algorithm, based on the Spearman feature selection, effectively classified tomato damage with a 98.765% accuracy rate. The findings of this study provide a reference for the grading and transportation of tomatoes after harvest. Dielectric spectroscopy ; Biological system ; Electrode ; Electrical impedance ; Sorting ; Materials science ; Support vector machine ; Computer science ; Acoustics ; Artificial intelligence ; Pattern recognition (psychology) ; Chemistry ; Electrical engineering ; Engineering ; Physics ; Algorithm Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Postharvest Quality and Shelf Life Management
Authors: Chao Chen | Yue Jiang | Xiaoqing Zhu
Source: Plants (article, 2024-12-04)
Field: Chemistry — Analytical Chemistry

Research on Lettuce Canopy Image Processing Method Based on Hyperspectral Imaging Technology For accurate segmentation of lettuce canopy images, dealing with uneven illumination and background interference, hyperspectral imaging technology was applied to capture images of lettuce from the rosette to nodule stages. The spectral ratio method was used to select the characteristic wavelengths, and the characteristic wavelength images were denoised and image fused before being processed by filtering and threshold segmentation. To verify the accuracy of this segmentation method, the manual segmentation method and the segmentation method used in this study were compared, and the area overlap degree (AOM) and misclassification rate (ME) were used as criteria to evaluate the segmentation results. The results showed that the segmentation effect was the best when 553.8 nm, 702.5 nm and 731.3 nm were selected as the characteristic wavelengths of lettuce for the spectral ratio method, with an AOM of 0.9526 and an ME of 0.0477. Both have a variance of less than 0.01 and have the best stability. Hyperspectral imaging technology combined with multi-wavelength image and multi-threshold segmentation can achieve accurate segmentation of lettuce canopy images. Hyperspectral imaging ; Segmentation ; Artificial intelligence ; Image segmentation ; Computer science ; Computer vision ; Region growing ; Scale-space segmentation ; Remote sensing ; Pattern recognition (psychology) ; Mathematics ; Geography Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Remote Sensing and Land Use
Authors: Vittorio Bonino | Angelo Angelini
Source: Optics (article, 2024-04-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multipolar Analysis in Symmetrical Meta-Atoms Sustaining Fano Resonances We present an optical metasurface with symmetrical individual elements sustaining Fano resonances with high Q-factors. This study combines plane-wave illumination and modal analysis to investigate the resonant behavior that results in a suppression of the forward scattering, and we investigate the role of the lattice constant on the excited multipoles and on the spectral position and Q-factor of the Fano resonances, revealing the nonlocal nature of the resonances. The results show that the intrinsic losses play a crucial role in modulating the resonance amplitude in specific conditions and that the optical behavior of the device is extremely sensitive to the pitch of the metasurface. The findings highlight the importance of near-neighbor interactions to achieve high Q resonances and offer an important tool for the design of spectrally tunable metasurfaces using simple geometries. Fano resonance ; Fano plane ; Excited state ; Physics ; Resonance (particle physics) ; Amplitude ; Scattering ; Lattice (music) ; Optics ; Atomic physics ; Plasmon ; Acoustics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications
Authors: Helena Cristina Vieira | Joielan Xipaia dos Santos | Deivison Venício Souza | Tawani Lorena Naide Acosta | Polliana D’Angelo Rios | Graciela Inês Bolzón de Muñiz | Simone Ribeiro Morrone | Silvana Nisgoski
Source: Maderas Ciencia y tecnología (article, 2024-07-26)
Field: Chemistry — Organic Chemistry

Wood colorimetry of Lauraceae species native to Brazil Considering the complexity and difficulty of identifying forest species, wooden disks were collected to verify the potential of colorimetry to distinguish native species from Araucaria Forest stands of the Lauraceae family. The following species were used: Nectandra megapotamica, Ocotea indecora, Ocotea diospyrifolia and Ocotea puberula. Nees, to provide data on these species that grow naturally in Santa Catarina state, southern Brazil, enriching a robust database that can be practically applied in the commercialization of native woods. Visible spectra and colorimetric parameters were obtained from each anatomical surface and the results were evaluated by comparing the mean of each species regarding radial trunk position and anatomical surface. The data were also submitted to principal component analysis and performance of discriminant models (k-NN, SVM and ANN) for species discrimination with raw and second-derivative data. In general, colorimetric data presented different behavior, and chromatic coordinates a* and b* had higher potential for distinguishing the species. According to the mean spectra, Ocotea indecora had reflectance values different from the other species. By principal component analysis, raw data indicated the separation only of Ocotea indecora, while second-derivative data allowed better distinction of species. In all discrimination models, second-derivative data produced the best results. Thus, the use of colorimetry has potential for wood distinction of the Lauraceae species evaluated, improving the oversight of illegally traded timber. Lauraceae ; Principal component analysis ; Araucaria ; Chemometrics ; Botany ; Biology ; Mathematics ; Chemistry ; Statistics ; Chromatography Wood and Agarwood Research ; Wood Treatment and Properties ; Plant Pathogens and Fungal Diseases
Authors: Daniel Torres | Miguel Bernal | Jon Ustarroz
Source: Small Methods (article, 2024-11-20)
Field: Chemistry — Electrochemistry

Deciphering Spatially‐Resolved Electrochemical Nucleation and Growth Kinetics by Correlative Multimicroscopy The study employs a multimicroscopy approach, combining Scanning Electrochemical Cell Microscopy (SECCM) and Field Emission Scanning Electron Microscopy (FESEM), to investigate electrochemical nucleation and growth (EN&G). Cu nanoparticles (NPs) are meticulously electrodeposited on glassy carbon (GC), to perform co-located characterization, supported by analytical modeling and statistical analysis. The findings reveal clear correlations between electrochemical descriptors (i-t transients) and physical descriptors (NPs size and distribution), offering valuable insights into nucleation kinetics, influenced by varied overpotentials, surface state, and electrode's area. Analysis of the stochasticity of nucleation reveals intriguing temporal distributions, indicating an increased likelihood of nucleation with higher overpotential and larger electrode's area. Notably, the local surface state significantly influences nucleation site number and activity, leading to spatial differences in nucleation rates unaccounted for in macroscopic experiments. The updated analytical model for EN&G current transients, considering SECCM geometry, shows excellent agreement with FESEM measurements, facilitating the calculation of active sites within individual regions. These results deepen the understanding of EN&G phenomena from a new perspective, and lay the groundwork for further theoretical advancements, showcasing the great potential of current experimental methods in advancing precise electrochemical manufacturing of micro- and nanostructures. Nucleation ; Overpotential ; Materials science ; Electrochemistry ; Glassy carbon ; Electrode ; Kinetics ; Chemical physics ; Nanotechnology ; Chemistry ; Thermodynamics ; Physical chemistry ; Cyclic voltammetry ; Physics Electrochemical Analysis and Applications ; Electrodeposition and Electroless Coatings ; Force Microscopy Techniques and Applications
Authors: Anastasia Yu. Sholokhova | Svetlana A. Borovikova | Dmitriy D. Matyushin
Source: Analytica—A Journal of Analytical Chemistry and Chemical Analysis (article, 2024-12-18)
Field: Chemistry — Spectroscopy

Refinement of Retention Indices in Gas Chromatography for a Number of Substituted Phenols Substituted phenols, including chlorophenols, are important analytes, particularly in the context of environmental analysis. Chlorophenols are formed during the disinfection of drinking water by chlorination and are important water pollutants. Gas chromatography–mass spectrometry (GC-MS) is an important method for the analysis of chlorophenols. Retention indices are used in GC-MS analysis to improve the accuracy of identification. Our research reveals that the retention indices currently available for substituted phenols are erroneous in a number of cases. We report reliable retention index values for pentafluorophenol, 5-methoxy-2-nitrophenol, 4-cyanophenol (stationary phase: 5%-phenyl-polymethylsiloxane), 3-methoxyphenol, 2-chlorophenol, 3-chlorophenol, 4-chlorophenol, 2,3-dichlorophenol, 2,5-dichlorophenol, 2,6-dichlorophenol, 3,4-dichlorophenol, 3,5-dichlorophenol, 2,3,5-trichlorophenol, 2,3,6-trichlorophenol, 2,4,5-trichlorophenol, and 2,4,6-trichlorophenol (stationary phase: polyethylene glycol modified with 2-nitroterephthalic acid). The structures of the standard samples were confirmed, and measurements were performed under various conditions. The analysis of the causes of the incorrect records appearing in the well-known NIST database was also carried out. Gas chromatography ; Chromatography ; Phenols ; Kovats retention index ; Chemistry ; Organic chemistry Analytical Chemistry and Chromatography ; Advanced Chemical Sensor Technologies ; Toxic Organic Pollutants Impact
Authors: Juliette Rengot | Elodie Prestat‐Marquis | Ingrid Aime | Jean‐Robert Campos | Etienne Camel | G. François
Source: International Journal of Cosmetic Science (article, 2024-09-29)
Field: Materials Science — Polymers and Plastics

<scp>SCAWA</scp> scales: A new digital tool for wrinkles clinical grading based on <scp>AI</scp> SCAWA scale makes the most of machine learning to provide an innovative digital tool to ease wrinkles in visual assessment of pictures, while optimizing linearity, homogeneity, and accuracy aspects. The experts' enthusiastic feedback about the scale format and quality is promising regarding the adaptation of the methodology to other signs and a larger distribution of this tool in the market of cosmetic product efficacy assessment. Wrinkle ; Computer science ; Artificial intelligence ; Scale (ratio) ; USable ; Digital photography ; Photography ; Machine learning ; Cartography ; Multimedia Textile materials and evaluations ; Skin Protection and Aging
Authors: Haibin Yu | Zhenya Zhou
Source: Zhongguo kexue. Wulixue Lixue Tianwenxue (article, 2024-12-10)
Field: Materials Science — Materials Chemistry

The dynamics and essence of disordered systems <p indent="0mm">The complex relaxation dynamics in disordered systems span a wide range of time, frequency, and temperature scales, encompassing a variety of physical processes that significantly influence the system’s functionality, behavior, properties, and applications. Investigating these dynamics is essential for gaining a deeper understanding of the fundamental nature of glasses and liquids, as well as key phenomena such as glass formation, transitions, and deformation. This article begins with a definition of relaxation and its significance, followed by a thorough examination of the characteristics of various relaxation dynamics and their effects on material performance. Additionally, the paper provides a comprehensive review of the microscopic mechanisms underlying multiple relaxation behaviors and presents a unified theoretical framework for relaxation dynamics, aimed at achieving a holistic understanding of the complex relaxation behaviors in disordered systems. This work seeks to enhance researchers’ understanding of the dynamics of disordered systems and offers new perspectives on the dynamical properties and fundamental nature of disordered systems. Psychology Material Dynamics and Properties ; Advanced Physical and Chemical Molecular Interactions ; Chemical and Physical Properties of Materials