jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Quan Li | Chao Wu | Yu Xie | Song Li | Hongqiang Li | Lijun Jin
Source: Micromachines (article, 2023-07-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Full Complex-Amplitude Modulation of Surface Waves Based on Spin-Decoupled Metasurface This work proposes a method for surface wave (SW) coupling along with flexible complex amplitude modulation of its wavefront. The linearly polarized incident plane wave is coupled into the surface mode with complex wavefront by exploiting the spin-decouple nature of a reflective chiral meta-atom. As verification, two kinds of metasurface couplers are designed. The first kind contains two examples for SW airy beam generation with and without deflection under linearly polarized illumination, respectively. The second kind is a bi-functional device capable of SW focusing under left-handed circularly polarized illumination, and propagating wave deflection under right-handed circularly polarized illumination, respectively, to verify the fundamental spin-decoupled character. Simulated and experimental results are in good agreement. We believe that this method provides a flexible approach for complex SW applications in integrated optics, optical sensing, and other related fields. Wavefront ; Optics ; Physics ; Amplitude ; Deflection (physics) ; Amplitude modulation ; Frequency modulation ; Bandwidth (computing) ; Telecommunications ; Computer science Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Orbital Angular Momentum in Optics
Authors: 汤睿阳 Tang Ruiyang | 王之宇 Wang Zhiyu | 王继芬 Wang Jifen | 徐晓杰 Xu Xiaojie | 周娣 Zhou Di | 石学军 Shi Xuejun
Source: Laser & Optoelectronics Progress (article, 2023-01-01)
Field: Chemistry — Analytical Chemistry

基于分子光谱分析的人指甲无损鉴别及性别刻画 指甲等人体生物组织的鉴定在刑事案件侦查中发挥着重要作用。为了对犯罪现场提取的指甲组织进行快速无损鉴别，提出了一种基于分子光谱分析和机器学习的人指甲无损鉴别和性别刻画方法。通过采集120个同年龄段不同性别人指甲样本的红外光谱数据，建立了多种分类预测模型。借助主成分分析技术降维提取3个主成分，对样本进行交互验证，并对比了Fisher判别函数、多层感知器及反向传播（BP）神经网络模型的识别效果。实验结果表明：多层感知器模型的分类识别率可达到91.4%，优于Fisher判别分析模型；基于粒子群优化算法的BP神经网络模型分类效果最佳，识别率达到97.7%。 Environmental science Spectroscopy and Chemometric Analyses
Authors: Дорогов А.Ю.
Source: Информационные и математические технологии в науке и управлении (article, 2023-12-28)
Field: Materials Science — Materials Chemistry

Быстрые преобразования и самоподобные нейронные сети глубокого обучения. Часть 1. Стратифицированные модели самоподобных нейронных сетей и быстрых преобразований В работе показано, что в основе построения быстрых преобразований (подобных БПФ) лежат самоподобные структуры, которые в равной степени можно использовать и для построения быстрых нейронных сетей (БНС). Показано, что класс быстрых преобразований определяется системными инвариантами морфологического уровня и может быть описан, как морфогенез терминальных проекций нейронных модулей. Предложены лингвистические модели для описания морфологии, структуры и топологии регулярных самодобных нейронных сетей. Модели легко обобщаются на многомерные варианты нейронных сетей данного типа. Благодаря своей структуре БНС обладают особыми алгоритмами обучения, которые принципиально отличаются от классического ErrorBackPropagation отсутствием механизма обратного распространения ошибки. Алгоритмы обучения основаны на предложенных в работе методах мультипликативной факторизации образов и быстрых преобразований. Разработанные алгоритмы завершаются за конечное число шагов с гарантируемой сходимостью (будет показано в части 2 статьи). Последовательное развитие концепции самоподобия приводит к разработке методов создания быстрых нейронных сетей с глубокой степенью обучения. Самоподобные нейронные сети обладают уникальной возможностью дообучения к новым данным без потери ранее приобретённых знаний. Показано, что БНС могут быть использованы для создания быстродействующей памяти образов с произвольным доступом и сложных устройств комбинационной логики. В работе представлены результаты исследований автора по следующим вопросам: биологические предпосылки самоподобия нейронных сетей; самоподобные многослойные структуры, морфогенез, стратификация модельных представлений; алгоритмы быстрых преобразований, быстрые нейронные сети (БНС), методы настройки; обучение БНС к эталонным функциям; пластичность БНС; пирамидальные нейронные сети глубокого обучения; многоканальные корреляторы; реализация памяти и комбинационной логики на пирамидальных структурах. Результаты исследований будут представлены статьями в трёх частях. Environmental science Machine Learning in Materials Science ; Neural Networks and Applications ; Neural Networks and Reservoir Computing
Authors: Berrin Topuz | Ece Talya Altinişik
Source: Research Square (preprint, 2023-01-27)
Field: Chemistry — Analytical Chemistry

Simultaneous preconcentration and determination of Cu(II), Ni(II), and Co(II) in food and environmental samples by the application of chelate adsorption on Amberlite XAD-1180 Abstract A simultaneous preconcentration and determination procedure for solid phase extraction on AXAD-1180 as 2,6-dimethlmorpholinedithiocarbamate (DMMDTC) chelates and spectrophotometric determinations of Cu (II), Ni (II), and Co (II) in food and environmental samples is proposed in the present work. The effect of some SPE parameters, such as reagent amount, sample pH, eluent type, concentration, and volume, sample and eluent flow rate, and sample volume, on trace metal ion recovery (R%) for the method developed in the standard model solution medium was investigated. Cu(II), Ni(II), and Co(II) retained as DMMDTC complexes on Amberlite XAD-1180 were eluted with 10 mL of 1 M HNO 3 (in acetone). Foreign ions were also studied individually on the recovery of trace metal ions using the developed method. Cu(II), Ni(II), and Co(II) ions were preconcentrated and separated from the sample using the developed SPE method, and their concentrations were simultaneously determined using the UV-VIS spectrophotometric method. The spectrophotometric determination was made by measuring the absorbance of colored chelates of metal ions complexed with DMMDTC in a surfactant medium (1% Triton X-100) at wavelengths of 460, 328, and 342 nm for Cu(II), Ni(II), and Co(II), respectively. To test the method's accuracy, certified reference materials (CRM 1204 waste water and TMDA-70.2 Ontario lake water) were analyzed using the proposed method, and metal recoveries were calculated to be between 97.1% and 100.7%. The proposed method worked well with the wheat flour sample. Wheat flour has Cu(II) and Ni(II) contents of 2,16 µgmL − 1 and 0,56 µgmL − 1 , respectively. Amberlite ; Chemistry ; Elution ; Metal ions in aqueous solution ; Solid phase extraction ; Certified reference materials ; Chelation ; Adsorption ; Extraction (chemistry) ; Column chromatography ; Chelating resin ; Detection limit ; Reagent ; Metal ; Chromatography ; Nuclear chemistry ; Inorganic chemistry Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Water Quality Monitoring and Analysis
Authors: Liana-Simona Sbirna | Clementina Moldovan
Source: Annals of the University of Craiova Series Chemistry (article, 2023-09-01)
Field: Chemistry — Organic Chemistry

Data analysis regarding the behavior against different kinds of anaerobic germs of three first-row transition metal complex compounds As most kinds of pathogenic agents tend to develop new resistance mechanisms to the common medicines, innovative solutions for counteracting this alarming situation are lately required. Within this context, the current paper aims to propose as potential antibacterial drugs three complex compounds formed by first-row transition divalent metal ions with a Schiff base, presenting the results of a study regarding the behavior of the Schiff base itself, compared to the ones of these three substances, when tested against different kinds of anaerobic germs.The work has been performed by using Kirby-Bauer disk diffusion method, the results being afterwards computationally processed by appealing to the Python multi-paradigm programming language. Schiff base ; Python (programming language) ; Computer science ; Divalent ; Context (archaeology) ; Anaerobic exercise ; Transition metal ; Chemistry ; Biochemical engineering ; Combinatorial chemistry ; Biological system ; Programming language ; Engineering ; Biology ; Polymer chemistry ; Organic chemistry Antimicrobial agents and applications ; Organic Chemistry Synthesis Methods ; Metal complexes synthesis and properties
Authors: Chenghui Wei | Hao Chen | Haiqiang Li
Source: Thermal Science (article, 2023-01-01)
Field: Chemistry — Spectroscopy

Effect of composite polystyrene granular thermal insulation mortar on thermal energy storage of building energy consumption In order to save energy and reduce building energy consumption, the author pro?posed a study on the impact of composite polystyrene particle thermal insulation mortar on building energy consumption and thermal energy storage, take the ETIRS-C residence as the research object, through simulation calculation under different insulation mortar thickness, analyze the relationship between insulation thickness and energy consumption and thermal environment. According to the simulation calculation of room temperature, horizontally, the thickness of thermal insulation mortar in air conditioning season is not sensitive to the natural room temperature, there is a certain sensitivity to the natural room temperature in the heating season, in the longitudinal direction, the 30 mm thick insulation mortar is the jumping point, and the increase of the thickness of insulation mortar has no obvious effect on the natural room temperature. According to the simulation cal?culation of room energy consumption, the thickness of thermal insulation mortar is about 20 mm, and both heat and cold consumption have achieved good thermal insulation and energy saving effect, further increasing the thickness of thermal insulation mortar will have limited impact on energy consumption, which may be uneconomical and increase the cost and construction difficulty. Therefore, based on the aforementioned results, it can be considered that the thickness of thermal insulation mortar should preferably be controlled within 20-30 mm. Mortar ; Thermal insulation ; Materials science ; Composite material ; Energy consumption ; Thermal ; Dynamic insulation ; Pipe insulation ; Vacuum insulated panel ; Expanded polystyrene ; Thermal energy ; Engineering ; Meteorology ; Electrical engineering Aerogels and thermal insulation ; Hygrothermal properties of building materials
Authors: Karunesh K. Shukla | Rahul Nigam | Ajanta Birah | A. K. Kanojia | M. K. Khokhar | Bimal K. Bhattacharya | Subhash Chander
Source: Current Science (article, 2023-11-25)
Field: Chemistry — Analytical Chemistry

Detection of Alternaria blight disease severity in mustard crops using ground-based hyperspectral remote sensing Alternaria blight is a destructive disease of mustard crops that causes significant economic loss and usually warrants extensive pesticide application.Characterization and estimation of pest severity for better management is the need of the hour to increase the scope of advisories to the farmers.In this study, statistical approaches like multiple stepwise linear regression, principal component regression and partial least square regression have been employed to detect the disease severity of Alternaria blight in mustard leaves using hyperspectral reflectance data.The predicted values of diseased leaves in all the regression models were significantly reduced vis--vis healthy mustard leaves.The results of this study indicate that it is possible to detect the disease severity of Alternaria blight in mustard crops using hyperspectral reflectance data. Hyperspectral imaging ; Blight ; Alternaria ; Alternaria brassicae ; Remote sensing ; Agronomy ; Biology ; Environmental science ; Horticulture ; Geography Spectroscopy and Chemometric Analyses
Authors: Nur Ain Syaqirah Sapian
Source: Journal of Oil Palm Research (article, 2023-08-25)
Field: Chemistry — Analytical Chemistry

N-ALKANE PROFILES OF LARD AND VEGETABLE OILS, AND THEIR CHEMOMETRICS DIFFERENTIATION This research aims to examine fat from various vegetable oils using n-alkane profiles, as well as chemometrics and machine learning. Unsaponifiable vegetable oils (coconut, peanut, palm and soybean oils) were separated and analysed using gas chromatography-mass spectrometry (GC-MS) to investigate the n-alkane profiles of each fat. The authenticity of the detected n-alkane profiles was determined by comparing to the retention time of C 7 -C 40 n-alkane standards. The test designs were developed using Principal Component Analysis (PCA), Hierarchical Clustering Analysis (HCA), Partial Least Squares-Discriminant Analysis (PLS-DA), and Random Forest (RF). Both PCA and HCA appeared to provide a clear distinction between each of the vegetable oil tests. Based on the PLS-DA and RF determination, tetracosane (C 24 ) and octadecane (C 18 ) are proposed as the key n-alkane markers for separating lard from vegetable oils. These findings suggest that additional work may be required to achieve and determine the different characteristics across oils in numerous statistical applications, notably chemometrics and machine learning. Chemometrics ; Alkane ; Chemistry ; Food science ; Environmental chemistry ; Organic chemistry ; Chromatography ; Hydrocarbon Petroleum Processing and Analysis
Authors: Theresa A. Gozzo | Matthew F. Bush
Source: ChemRxiv (preprint, 2023-10-16)
Field: Chemistry — Spectroscopy

Differentiating Antibodies Using Charge-State Manipulation, Collisional Activation, and Ion Mobility – Mass Spectrometry Antibody-based therapeutics continue to expand both in the number of products and their use in patients. These heterogeneous proteins challenge traditional drug characterization strategies, but ion mobility (IM) – mass spectrometry (MS) approaches have eased the challenge of higher-order structural characterization. Energy-dependent IM-MS, e.g., collision-induced unfolding (CIU), has been demonstrated to be sensitive to subtle differences in structure. In the present study, we combine a charge-reduction method, cation-to-anion proton-transfer reactions (CAPTR), with energy-dependent IM-MS and varied solution conditions to probe their combined effects on the gas-phase structures of IgG1κ and IgG4κ from human myeloma. CAPTR paired with MS-only analysis improves the confidence of charge-state assignments and the resolution of interfering protein species. Collision cross-section distributions were determined for each of the charge-reduced products. Similarity scoring was used to quantitively compare distributions determined from matched experiments analyzing samples of the two antibodies. Relative to workflows using energy-dependent IM-MS without charge-state manipulation, combining CAPTR and energy-dependent IM-MS enhanced the differentiation of these antibodies. Combined, these results indicate that CAPTR can benefit many aspects of antibody characterization and differentiation. Ion-mobility spectrometry ; Chemistry ; Ion ; Characterization (materials science) ; Mass spectrometry ; Antibody ; Charge (physics) ; Analytical Chemistry (journal) ; Atomic physics ; Chemical physics ; Materials science ; Chromatography ; Nanotechnology ; Physics ; Biology Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Advanced Proteomics Techniques and Applications
Authors: Antonios-Dimitrios Stefanou | Xanthippi Zianni
Source: Micromachines (article, 2023-10-07)
Field: Materials Science — Materials Chemistry

The Effect of Width-Mismatch of Modulated Nanowaveguides on the Thermoelectric Efficiency Width-modulated nanowaveguides are promising for thermoelectric efficiency enhancement because electron and phonon transport properties can be geometrically tuned for improved performance. The shape of the modulation profile drastically affects the transport properties. Optimization of the width modulation for simultaneous maximum thermoelectric transport and minimum thermal transport is challenging because of the interconnected electron and phonon transport properties. We addressed this problem by analysing the effect of each characteristic dimension of a single rectangular modulation unit on electron and phonon transport. We identified distinct behaviours for electrons and phonons. We reveal that whereas phonon thermal conductance decreases with increasing width-mismatch, the electron thermoelectric power factor shows a non-monotonic dependence. It is pointed out that optimal width-mismatch that maximizes thermoelectric efficiency is mainly determined by electron transport and should be identified by maximizing the thermoelectric power. Our work points to a new strategy of optimizing geometry-modulated metamaterials for maximum thermoelectric efficiency. Thermoelectric effect ; Materials science ; Seebeck coefficient ; Phonon ; Condensed matter physics ; Modulation (music) ; Electron ; Thermoelectric materials ; Thermal conductivity ; Work (physics) ; Electron transport chain ; Optoelectronics ; Physics ; Chemistry ; Thermodynamics ; Quantum mechanics ; Composite material Advanced Thermoelectric Materials and Devices ; Thermal properties of materials ; Thermal Radiation and Cooling Technologies
Authors: Varun Dolia | Halleh B. Balch | Sahil Dagli | Sajjad Abdollahramezani | Hamish Carr Delgado | Parivash Moradifar | Kai Chang | Ariel Stiber | Fareeha Safir | Mark Lawrence | Jack Hu | Jennifer A. Dionne
Source: Research Square (preprint, 2023-11-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Very-Large-Scale Integrated High-Q Nanoantenna Pixels (VINPix) Resonator ; Optics ; Q factor ; Wavefront ; Physics ; Polarization (electrochemistry) ; Optoelectronics ; Plasmon ; Photonic crystal Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Zane G. Long | Jonathan V. Le | Benjamin Katz | Belen G. Lopez | E. D. Tenenbaum | Bonnie Semling | Ryan Schmidt | Felix Grün | Carter T. Butts | Rachel W. Martin
Source: Biophysical Journal (article, 2023-02-01)
Field: Chemistry — Spectroscopy

Spatially resolved detection of small molecules from press-dried plant tissue using MALDI imaging MALDI imaging ; Chemistry ; Small molecule ; Chromatography ; Matrix-assisted laser desorption/ionization ; Biochemistry ; Organic chemistry Mass Spectrometry Techniques and Applications ; Ion-surface interactions and analysis ; Pesticide Residue Analysis and Safety
Authors: Senem Şanlı | Meryem Cansu Şahin | Ayşe Özdemir | Buket Paşa
Source: Acta Chromatographica (article, 2023-12-29)
Field: Chemistry — Spectroscopy

Evaluation of the RP-LC method for determining the pKa of abiraterone and its assay Abstract A straightforward, dependable, and quick RP-LC method for the analysis of abiraterone acetate in its dose form and human urine has been devised. With DAD detection, sensitivity was reported to be high. The LOD and LOQ of the procedure were deemed adequate. The suggested approach was exhaustively validated in accordance with ICH requirements, and the findings demonstrated that it was exact, accurate, selective, and sensitive for the analysis of this pharmaceutical. The chromatographic separation was realized using a X-Terra RP-18 (150 × 4.60 mm i.d. × 5 μm) column and a UV detector set at 255 and 267 nm. In addition, p K a values were calculated based on the relationship between the retention factor and the pH of the mobile phase. The influence of the composition of the mobile phase on the ionization constant was investigated by measuring the p K a at various acetonitrile–water combinations ranging from 50 to 70% ( v/v ). Chemistry ; Chromatography ; Acetonitrile ; Chromatographic separation ; Abiraterone acetate ; Urine ; Detector ; Analytical Chemistry (journal) ; High-performance liquid chromatography ; Computer science Analytical Chemistry and Chromatography ; Analytical Chemistry and Sensors ; Chemical and Physical Properties in Aqueous Solutions
Authors: Weiju Ren
Source:  (article, 2023-07-16)
Field: Materials Science — Materials Chemistry

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era Abstract Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era. This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, ..., to Codes and Standards rule establishment for final publication. Pace ; Database ; Computer science ; Modernization theory ; Path (computing) ; Data science ; Engineering Machine Learning in Materials Science ; Manufacturing Process and Optimization ; Electron and X-Ray Spectroscopy Techniques
Authors: Yuya Hirayama | Shinichiro Ogawa
Source: Mechanical Engineering Letters (article, 2023-01-01)
Field: Chemistry — Spectroscopy

Development of combustion gas measurement systems for micro-rocket torch using a diode laser sensor Much noise from the combustion oscillations and more are included in the measurement data for combustion experiments of micro-rocket torch. To develop the combustion gas measurement system for the micro-rocket torch using tunable diode laser absorption spectroscopy (TDLAS) method, we develop the denoising algorithms using the Savitzky-Golay filter and K-fold cross validation for improved noise-rejection capabilities. First, a validation study has been conducted on the gas measurement system using denoising algorithms in the case of atmospheric measurements. The atmospheric measurement results using denoising algorithms are in exceptionally good agreement with atmospheric conditions. Therefore, this result indicated that this algorithm gave satisfactory accuracies in the case of atmospheric measurements. Next, we investigated the combustion gas measurements for micro-rocket torch using the TDLAS method and demonstrated the usefulness of the denoising algorithms. From the results of this study, it is obvious that a significant accuracy improvement was obtained in the majority of absorbance spectrum cases with use of the denoising algorithms. Furthermore, the tendency of time-series torch gas temperature using TDLAS method is similar to the time-series estimated values. Tunable diode laser absorption spectroscopy ; Torch ; Combustion ; Rocket (weapon) ; Noise reduction ; Combustor ; Noise (video) ; Laser ; Acoustics ; Materials science ; Tunable laser ; Chemistry ; Computer science ; Aerospace engineering ; Optics ; Physics ; Engineering ; Artificial intelligence Spectroscopy and Laser Applications ; Advanced Sensor Technologies Research ; Laser Design and Applications