jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Abdalla Ali AMİN | Suat Ekin | Ahmet BAKIR | Damla Yıldız
Source: International Journal of Secondary Metabolite (article, 2022-05-15)
Field: Chemistry — Analytical Chemistry

Antioxidant properties of Lycianthes rantonnetii and contents of vitamin and element The aim of this study was to investigate the antioxidant, antiradical activity of the Lycianthes rantonnetii (Solanacaeae) plant, to determine levels of element (Fe, Zn, Mn, Cu, Cr, Mo, Cd, As, Pb, Co, V, Tl, Li, Ti, Sr, Be), mineral (Mg, P) and vitamin (A, E, C). In the study, metals and mineral analyses were carried out using dry ashing method with ICP-OES, vitamin A and vitamin E analyses were carried out using the HPLC method and vitamin C, total phenol, flavonoids, antioxidant capacity, DPPH, ABTS, hydrogen peroxide, hydroxyl radicals scavenging activity and anti-hemolytic activity of the methanol extract Lycianthes rantonnetii (L. rantonnetii) plant was determined spectrophotometrically. According to the results, Cu, Zn, Co, Mg, retinol, -tocopherol, ascorbic acid, total antioxidant activity, phenolic and flavonoid contents of L. rantonnetii were 57.60  4.83 mol/kg, 0.14  0.01 mmol/kg, 2.23  0.10 mol/kg, 39.13  1.76 mmol/kg, 12.22 ± 3.37 μmol/kg, 104.55 ± 7.44 μmol/kg, 80.61 ± 9.31 mg/100 g, 11.45 ± 0.60 mM ascorbic acid/g, 5.33 ± 0.41 mg GA/g and 3.76 ± 0.29 mg QE/g, respectively. The results of this study showed that the content of antioxidant vitamins, minerals of the L. rantonnetii plant was at high levels and it contains a reasonable amount of total phenol, and flavonoids also, it was determined that the plant had a high scavenging activity for free radicals. It is believed that L. rantonnetii can be used as an additive for food products in the various food sectors with appropriate antioxidant activities. Chemistry ; Ascorbic acid ; Antioxidant ; ABTS ; DPPH ; Vitamin C ; Phenol ; Nuclear chemistry ; Food science ; Flavonoid ; Radical ; Hydrogen peroxide ; Vitamin ; Chromatography ; Biochemistry ; Organic chemistry Heavy Metals in Plants ; Phytochemicals and Antioxidant Activities ; Phytochemical and Pharmacological Studies
Authors: Jonathan J. Denney | Gerard S. Mattei | Marcus H. Mendenhall | James P. Cline | Peter G. Khalifah | Brian H. Toby
Source: Journal of Applied Crystallography (article, 2022-03-11)
Field: Materials Science — Materials Chemistry

Determination of physically based pseudo-Voigt powder diffraction profile terms from the fundamental parameters approach A methodology is developed where a fundamental parameters approach (FPA) description of a laboratory powder diffraction instrument (configured in divergent-beam Bragg–Brentano geometry) is used to determine GSAS-II profile parameters for peak asymmetry and instrumental peak widths. This allows the instrumental contribution to peak shapes to be robustly determined directly from a physical description of the instrument, even though GSAS-II does not directly implement FPA for peak shape computation. The FPA-derived parameters can be used as the starting point for instrument characterization, or to characterize sample broadening without the use of a standard to determine the instrument profile function. This new method can facilitate generation of training sets for machine learning. A plot is generated that shows the differences between the two approaches, demonstrating upper bounds for the accuracy of the GSAS-II profile model for a particular instrumental configuration. Diffraction ; Computation ; Point (geometry) ; Function (biology) ; Asymmetry ; Plot (graphics) ; Optics ; Calibration ; Beam (structure) ; Quality (philosophy) ; Computational physics ; Algorithm ; Physics ; Computer science ; Mathematics ; Geometry ; Statistics ; Quantum mechanics X-ray Diffraction in Crystallography ; Crystallography and molecular interactions ; Nuclear materials and radiation effects
Authors: Abdul Kadhar Katpadi Mohammed | Hariraj Gopal | Shivakumar P Kudlur | Subhas V. Naik
Source: Textile & Leather Review (article, 2022-12-15)
Field: Materials Science — Polymers and Plastics

Development of Structurally Modified Less Wrinkle and High Drape Soft Silk Fabric In India, high-quality silk fabrics are nearly exclusively made from the highly prized textile fibre of animal origin known as silk. Silk sarees and materials for clothing are sold in a variety of stores. The majority of these retail stores are constantly searching for various types of silk materials to advertise as unique goods. Central Silk Technological Research Institute (CSTRI) continuously works in this field to offer the silk industry a variety of silk yarns and fabrics produced under eco-friendly tags. In one such attempt, CSTRI developed a wet processing technique with a user-friendly chemical, calcium nitrate tetrahydrate, by optimizing the process parameter such as time, temperature and chemical concentration. The comfort properties of the fabric were improved by modifying the secondary structure of the fibroin protein that was ascertained by Raman and C-13 NMR spectroscopies. Significantly higher drape and crease recovery properties were measured by Kawabata and FTT analysis. The products were developed in commercial scales (beside their costing) and displayed for 21 days to assess the market potential in terms of subjective assessment, product preference and price. The survey findings were statistically analysed using Minitab and Python software. The project findings in unequivocal terms recommend the chemical process using the safe chemical to treat the grey-finished fabrics to have improved utility, durability and comfort properties. SILK ; Textile ; Polymer science ; Materials science ; Composite material ; Pulp and paper industry ; Engineering Textile materials and evaluations ; Silk-based biomaterials and applications ; Dyeing and Modifying Textile Fibers
Authors: Lü Jie | Changqin Li | Lijun Liu | Wangjing Chai | Yabin Hou | Changyang Ma
Source: Journal of Food Quality (article, 2022-02-02)
Field: Chemistry — Analytical Chemistry

Rapid Determination of Pachymic Acid Content by Near-Infrared Spectroscopy In this paper, a rapid model for the determination of pachymic acid content in Poria was established by partial least squares (PLS) regression and near-infrared spectroscopy (NIR). During the research, a total of 108 batches of Poria samples from different producing regions were used, while their corresponding pachymic acid contents by high-performance liquid chromatography (HPLC) were adopted as reference. These samples were divided randomly into calibration sets for model establishment and validation sets for model validation. The test results from the calibration set showed that the best preprocessing method of the NIR spectra model was the standard normal variate (SNV) + second derivatives (SD), and the most suitable number of principal factors was 9. In this model, the coefficient of determination of the calibration set ( <a:math xmlns:a="http://www.w3.org/1998/Math/MathML" id="M1"> <a:msubsup> <a:mi>r</a:mi> <a:mi>c</a:mi> <a:mn>2</a:mn> </a:msubsup> </a:math> ) and validation set ( <c:math xmlns:c="http://www.w3.org/1998/Math/MathML" id="M2"> <c:msubsup> <c:mi>r</c:mi> <c:mi>v</c:mi> <c:mn>2</c:mn> </c:msubsup> </c:math> ) was 0.915 and 0.917, respectively. Meanwhile, the root mean square error of calibration (RMSEC) and the root mean square error of validation (RMSEP) with the calibration set were 0.051 mg/g and 0.054 mg/g, respectively. These results indicated this model could rapidly and reliably predict the pachymic acid content in Poria and increase the determination efficiency of pachymic acid in Poria. This is conducive to promote the development of industry. Calibration ; Partial least squares regression ; Chemistry ; Analytical Chemistry (journal) ; Test set ; Mathematics ; Chromatography ; Statistics Spectroscopy and Chemometric Analyses ; Chromatography in Natural Products ; Traditional Chinese Medicine Analysis
Authors: HUANG Wenhao | WANG Jun | 。 针对不同截止电压和老化状态下超级电容容量衰退 | 差异的问题 构建了全寿命周期的比例系数函数 | 。 试验与仿真结果表明
Source: Journal of Mechanical Engineering (article, 2022-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Research on Performance Degradation and Modeling of Supercapacitors Considering the Effects of Temperature and Voltage 摘要： 具有卓越高比功率特性的超级电容在电动载运工具上备受青睐,开展性能退化机理分析和建模对其高效可靠地工作具有重要意义。为获得全面的老化数据且提升模型的适应性,选用两款超级电容进行不同温度和截止电压条件下的加速老化试验,试验表明温度和截止电压均会影响电容的衰退性能,其中提升截止电压会显著加速内阻增长。为表征超级电容的容量衰退特性和内阻变化规律,采用Box-Cox变换技术将超级电容容量衰退数据转换为线性衰退轨迹以构建线性老化模型,然后应用Arrhenius定律建立数据驱动的超级电容容量和内阻的衰退预测模型。针对不同截止电压和老化状态下超级电容容量衰退差异的问题,构建了全寿命周期的比例系数函数。试验与仿真结果表明,容量衰退轨迹的预测误差在5%以内,内阻变化轨迹的预测误差在10%以内。 Supercapacitor ; Degradation (telecommunications) ; Materials science ; Voltage ; Environmental science ; Electronic engineering ; Electrical engineering ; Capacitance ; Chemistry ; Engineering ; Electrode Supercapacitor Materials and Fabrication ; Electric and Hybrid Vehicle Technologies
Authors: Shujie Song Shujie Song | Xue Huang Shujie Song | Yuchi Li Xue Huang
Source: 網際網路技術學刊 (article, 2022-03-01)
Field: Chemistry — Analytical Chemistry

Vibrational Bruise Prediction of Harvested Kiwifruits under Transportation based on the BP Neural Network &lt;p&gt;Vibrational bruise is one of the most common mechanical damages of fruit under transportation. Transportation vibrational bruise prediction can provide important theoretical basis for reducing the bruise and package design. However, there is no related research about the vibrational bruise prediction of fruits. In this study, a vibrational bruise prediction model based on BP neural network was established to predict the vibrational bruise of harvested kiwifruit. The inputs of the prediction model included the vibrational acceleration, vibrational frequency and time, and this network model was trained using adaptive learning rate method based on momentum gradient descent, the vibrational bruise deformation of kiwifruit could be predicted. The results showed that the neural network model has a good prediction effect of vibrational bruise deformation, and the average relative error of predicting vibrational bruise of kiwifruit is 1.32%, and the average absolute error was 0.01, and R2 is 0. 9683. It can provide a weighable theoretical and data reference for the food storage and transportation.&lt;/p&gt; &lt;p&gt;&amp;nbsp;&lt;/p&gt; Bruise ; Artificial neural network ; Computer science ; Artificial intelligence ; Biological system ; Materials science ; Biology ; Medicine ; Surgery Spectroscopy and Chemometric Analyses
Authors: Hui Hui Wang | Sze Ye Chai
Source: Journal of Telecommunications and Information Technology (article, 2022-03-31)
Field: Chemistry — Analytical Chemistry

Novel Feature Extraction for Pineapple Ripeness Classification A novel feature extraction method has been proposed to improve the accuracy of the pineapple ripeness classification process. The methodology consists of six stages, namely: image acquisition, image pre-processing, color extraction, feature selection, classification and evaluation of results. The red element in the RGB model is selected as the threshold value parameter. The ripeness of pineapples is determined based on the percentage share of yellowish scales visible in images presenting the front and the back side of the fruit. The prototype system is capable of classifying pineapples into three main groups: unripe, ripe, and fully ripe. The accuracy of 86.05% has been achieved during experiments. Ripeness ; Artificial intelligence ; Feature extraction ; Computer science ; RGB color model ; Pattern recognition (psychology) ; Computer vision ; Extraction (chemistry) ; Feature (linguistics) ; Mathematics ; Chromatography ; Horticulture ; Ripening Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Leaf Properties and Growth Measurement
Authors: Thomas Pickles | Chantal L. Mustoe | Cameron J. Brown | Alastair J. Florence
Source: British Journal of Pharmacy (article, 2022-06-28)
Field: Materials Science — Materials Chemistry

Autonomous DataFactory: High-throughput screening for large-scale data collection to inform medicine manufacture Using small-scale crystallisation to inform downstream processes, we can reduce time and material costs in medicine manufacturing. This work introduces a preliminary workflow for information-rich data collection of crystallisation parameters including solubility, induction time, growth rate, secondary nucleation rate, particle shape and size. Large-scale data collection was achieved for 6 active pharmaceutical ingredients (APIs) in 31 solvents in less than 9 months with the results for aspirin presented here. Highlights include the identification of 24 potential alternative crystallisation solvents for manufacturing aspirin, all of which yield the biorelevant polymorph. Automation of this workflow will enable the use of robotics to further reduce time and material usage when conducting crystallisation experiments for future APIs. Workflow ; Data collection ; Automation ; Scale (ratio) ; Crystallization ; Computer science ; Nucleation ; Process engineering ; Identification (biology) ; Throughput ; Data science ; Nanotechnology ; Engineering ; Materials science ; Chemistry ; Database ; Chemical engineering ; Mechanical engineering ; Telecommunications Crystallization and Solubility Studies ; Innovative Microfluidic and Catalytic Techniques Innovation ; Analytical Chemistry and Chromatography
Authors: Haiyang Huang | Xiaojie Zhang | Fuwan Gan | Xingjie Ni
Source: IEEE photonics journal (article, 2022-01-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fabrication-Friendly Random Meta-Atom Generation for Phase-Shifting Metasurfaces Compared with traditional phase-shifting metasurface design methods, computer-aided optimization has attracted significant interest due to its advantages of high efficiency and a wide modulation range, resulting in the ability to generate various random-shaped meta-atoms to maximize their phase modulation capabilities. However, these meta-atoms often have sharp boundaries, chamfers, microscopic particles, and small holes, which are unsuitable for micro-/nano-fabrication. We propose a method to generate 2D meta-balls, which can generate random-shaped meta-atoms with smooth boundaries free of small particles or holes and suitable for micro-/nano-fabrication. This method can easily control the characteristics of generated shapes, such as boundary continuity and symmetry. It is simple, straightforward, and time-saving, and it helps in computer-aided optimization phase-shifting metasurfaces design. Fabrication ; Modulation (music) ; Phase (matter) ; Materials science ; Computer science ; Phase modulation ; Boundary (topology) ; Atom (system on chip) ; Nano- ; Optoelectronics ; Optics ; Nanotechnology ; Physics ; Acoustics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Acoustic Wave Phenomena Research
Authors: M. Zambelli | Andrea Casson | Valentina Giovenzana | Alessia Pampuri | Alessio Tugnolo | Carola Pozzoli | Lucio Brancadoro | R. Beghi | R. Guidetti
Source: Australian Journal of Grape and Wine Research (article, 2022-11-23)
Field: Chemistry — Analytical Chemistry

Visible/Near-Infrared Spectroscopy Devices and Wet-Chem Analyses for Grapes (Vitis vinifera L.) Quality Assessment: An Environmental Performance Comparison Background and Aims. The composition of grapes (Vitis vinifera L.) at harvest is a key factor that determines the future quality of wine. The work aimed to evaluate and compare the environmental impact of the most evaluated technological parameters using three approaches: the wet-chem method, the optical method using benchtop devices, and the optical method using a prototype smart and cost-effective device (Technology Readiness Level: 5). Methods and Results. The life cycle assessment (LCA) methodology was used to identify the most environmentally sustainable solution in a “from-cradle-to-grave” approach. The functional unit was identified by the execution of the analyses necessary to measure the three technological parameters: TSS, pH, and TA. The findings show that the optical analysis carried out with the prototype is the most suitable and green solution (i.e., with the lowest environmental impact in all the impact categories analysed); in fact, the same technology has proved to be 3.2 times more sustainable than the wet-chem method for the best average environmental performance. Conclusions. The research demonstrated the environmental impact advantages of the optical analyses for assessment of grape composition. Significance of the Study. Innovations in agriculture and the development of smart solutions represent advantages for managing and monitoring the composition of agri-food products that are a green solution for the industry. Life-cycle assessment ; Wine ; Agricultural engineering ; Environmental impact assessment ; Environmental science ; Agriculture ; Work (physics) ; Computer science ; Vitis vinifera ; Process engineering ; Environmental economics ; Engineering ; Chemistry ; Horticulture ; Food science ; Mechanical engineering Spectroscopy and Chemometric Analyses ; Agriculture Sustainability and Environmental Impact ; Horticultural and Viticultural Research
Authors: Feng Qin | Shutong Wang | He Wang | Zhilin Qin | Haiguang Wang
Source: Frontiers in Plant Science (article, 2022-06-09)
Field: Chemistry — Analytical Chemistry

Circle Fitting Based Image Segmentation and Multi-Scale Block Local Binary Pattern Based Distinction of Ring Rot and Anthracnose on Apple Fruits Ring rot caused by <i>Botryosphaeria dothidea</i> and anthracnose caused by <i>Colletotrichum gloeosporioides</i> are two important apple fruit diseases. It is critical to conduct timely and accurate distinction and diagnosis of the two diseases for apple disease management and apple quality control. The automatic distinction between the two diseases was investigated based on image processing technology in this study. The acquired disease images were preprocessed via image scaling, color image contrast stretching, and morphological opening and closing reconstruction. Then, two lesion segmentation methods based on circle fitting were proposed and used to conduct lesion segmentation. After comparison with the manual segmentation results obtained via the software Adobe Photoshop CC, Lesion segmentation method 1 was chosen for further disease image processing. The gray images on the nine components in the RGB, HSI, and L*a*b* color spaces of the segmented lesion images were filtered by using multi-scale block local binary pattern operators with the sizes of pixel blocks of 1 × 1, 2 × 2, and 3 × 3, respectively, and the corresponding local binary pattern (LBP) histogram vectors were calculated as the features of the lesion images. Subsequently, support vector machine (SVM) models and random forest models were built based on individual LBP histogram features or different LBP histogram feature combinations for distinguishing the diseases. The optimal SVM model with the distinction accuracies of the training and testing sets equal to 100 and 95.12% and the optimal random forest model with the distinction accuracies of the training and testing sets equal to 100 and 90.24% were achieved. The results indicated that the distinction between the two diseases could be implemented with high accuracy by using the proposed method. In this study, a method based on image processing technology was provided for the distinction of ring rot and anthracnose on apple fruits. Artificial intelligence ; Pattern recognition (psychology) ; Histogram ; Segmentation ; Local binary patterns ; Pixel ; Random forest ; Support vector machine ; Computer science ; Image segmentation ; Feature (linguistics) ; Grayscale ; Mathematics ; Feature vector ; Computer vision ; Image (mathematics) Spectroscopy and Chemometric Analyses ; Smart Agriculture and AI ; Plant Pathogens and Fungal Diseases
Authors: Ebrahim Zarei | Amir Izadyar | Alireza Asghari | Maryam Rajabi
Source: Portugaliae electrochimica acta (article, 2022-01-01)
Field: Chemistry — Electrochemistry

Development of 2-aminobenzoic Acid as a Complexing Ligand for Simultaneous Adsorptive Cathodic Stripping Voltammetric Determination of Trace Copper, Lead and Cadmium In this study, 2-aminobenzoic acid (ABA) has been used as a complexing ligand for metal ions simultaneous determination by adsorptive cathodic stripping voltammetry (AdCSV). This selective and sensitive method was based on Cu(II), Pb(II) and Cd(II) ions + ABA adsorptive accumulation, by hanging them onto a mercury drop electrode (HMDE), followed by their reduction through differential pulse cathodic stripping voltammetry (DPSCV). Experimental parameters, such as pH, ABA concentration, accumulation time, potential and scan rate, were examined. Under the optimized conditions, linear calibration curves were established for Cu, Pb and Cd concentrations, in the ranges from 5 to 120, 5 to 150 and 5 to 120 ng/mL -1 , respectively. Detection limits (LODs) of 2.05, 1.78 and 2.26 ng/mL -1 were obtained for Cu, Pb and Cd, respectively. The proposed method was applied for the determination of these elements in tap and industrial waste water, as real samples. Copper ; Stripping (fiber) ; Cadmium ; Chemistry ; Cathodic stripping voltammetry ; Ligand (biochemistry) ; Aminobenzoic acid ; Cathodic protection ; TRACE (psycholinguistics) ; Inorganic chemistry ; Chelation ; Trace Amounts ; Materials science ; Electrochemistry ; Organic chemistry ; Electrode ; Medicinal chemistry ; Physical chemistry Electrochemical Analysis and Applications
Authors: Aynur Özcan | Nureddin Türkan | Mecit Aksu | Hasan Gülbiçim | Esra KURT
Source: Gazi Üniversitesi Mühendislik-Mimarlık Fakültesi Dergisi (article, 2022-10-06)
Field: Materials Science — Materials Chemistry

Magnezyotermik indirgeme ile sentezlenen Lantanyum hekzaborür (LaB6) ve Seryum hekzaborür (CeB6) malzemelerinin gama zırhlama özelliklerinin Monte Carlo simülasyonu Radyasyon kullanımı tıp, sanayi, tarım ve nükleer santraller alanında günden güne artarak gelişmeye devam etmektedir. Bu alanlardaki iş kollarında çalışanların ve halkın radyasyonun zararlı etkilerinden korunması, nükleer teknolojilerin gelişiminin yanı sıra oldukça önemli başka bir konudur. Bu çalışmada, kimya laboratuvarımızda sentezlenen bazı hekzaborürler (LaB6 ve CeB6) X–ışını kırınımı (XRD) ile analiz edilmiş, Debye Scherrer eşitliği ile ortalama kristal boyutları hesap edilmiş, nano boyutta oldukları görülmüş ve bu numunelerin gama ışını zırhlama özellikleri incelenmiştir. Gama ışını koruma parametreleri olarak; kütle zayıflatma katsayıları, yarı değer katmanı, onda bir değer katmanı, ortalama serbest yol, etkin atom numarası, etkin elektron yoğunluğu, toplam atomik kesit ve toplam elektronik kesit değerleri, Monte Carlo yöntemi ile belirlendi. Bu yöntemde kullanılan foton enerji aralığı, 1.0 keV - 105 MeV olup, elde edilen veriler XCom programı tarafından hesaplanan sonuçlarla karşılaştırıldı. MC ve XCom arasında hesaplanan sonuçlar, radyasyon koruyucu malzemeler olarak kurşun, vermikülit, borosilikat, beton ve granit ile karşılaştırıldığında başarılı bir tutarlılık göstermiştir. Üretilen hekzaboridlerin, literatürde daha önce araştırılan malzemelere kıyasla daha umut verici gama koruma özelliklerine sahip olduğu sonucuna varılmıştır. Physics Radiation Shielding Materials Analysis ; Nuclear materials and radiation effects ; X-ray Diffraction in Crystallography