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Comparative Study of Molecular Interaction in Ternary Liquid Mixtures of Polar and Non-Polar Solvents 极性和非极性溶剂三元液体混合物中分子相互作用的比较研究
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.57587
B. Samantaray, M. K. Praharaj, B. R. Das, S. P. Das
Ultrasonic velocity measurements, density measurements, and viscometric studies were conducted for the ternary mixture of pyridine and toluene separately with N, N-dimethylformamide (DMF) in butanol, at different temperatures and for different concentrations of component liquids. Using these basic experimental data, various acoustic and thermodynamic parameters, such as adiabatic compressibility (β), free length (Lf,), free volume (Vf), etc. were calculated. Also, Excess thermo-acoustical parameters were calculated from the experimentally measured data. The outcomes were expressed in terms of the molecular interactions and the variations in parameters under varying solute concentrations. A comparative study is discussed. Variation in the above parameters for the different mixtures is indicative of the nature of the interactions between the components in the liquid mixture. Concluding remarks regarding intermolecular interactions are provided.
在不同温度和不同浓度的组份液下,分别对吡啶和甲苯的三元混合物与丁醇中的N, N-二甲基甲酰胺(DMF)进行了超声波测速、密度测量和粘度测定。利用这些基本实验数据,计算了各种声学和热力学参数,如绝热压缩率(β)、自由长度(Lf,)、自由体积(Vf)等。并根据实验测量数据计算了多余的热声参数。结果用分子相互作用和参数在不同溶质浓度下的变化来表示。并进行了比较研究。上述参数在不同混合物中的变化表明了液体混合物中各组分之间相互作用的性质。最后对分子间相互作用作了总结。
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引用次数: 0
Study on Estimation of Inhalation and Ingestion Dose due to 222Rn Concentration in Different Types of Ground Water of Some Taluks of Uttara Kannada District, Karnataka, India 印度卡纳塔克邦Uttara Kannada地区一些村庄不同类型地下水中222Rn浓度的吸入和摄入剂量估算研究
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.57163
S. Suresh, E. Srinivasa
The primary goal of this study was to determine the risk due to radon concentration   in drinking water. Water is essential for most of the life on the Earth, and the quality of drinking water is a key criterion for one's health. Radon (222Rn) and radium (226Ra) are the radioactive elements that can be found in water. Thirty samples of drinking water were collected in Haliyal, Joida, and Mundgod taluks of Uttara Kannada district. Emanometry technique was used to determine the concentration of 222Rn activity. The activity concentration of 222Rn in water varies between 3.78 ± 0.38 Bq l-1. and 135.96 ± 1.72 Bq l-1 with a mean value of 26.23 ± 0.65 Bq l-1. The cumulative average annual effective doses for all of the samples under investigation are well below the safe limit of 100 µSv y-1 suggested by WHO.
本研究的主要目的是确定饮用水中氡浓度造成的风险。水是地球上大多数生命所必需的,饮用水的质量是一个人健康的关键标准。氡(222Rn)和镭(226Ra)是可以在水中发现的放射性元素。在北坎纳达省的哈里亚尔、乔伊达和蒙德戈德塔卢克斯收集了30个饮用水样本。用放射法测定了222Rn的活度。222Rn在水中的活度浓度为3.78±0.38 Bq -1。135.96±1.72 Bq -1,平均值26.23±0.65 Bq -1。接受调查的所有样品的累积平均年有效剂量远低于世卫组织建议的100µSv -1的安全限值。
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引用次数: 0
Polymer-Based Nanocomposite Coating Methods: A Review 聚合物基纳米复合涂层方法综述
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.58338
S. Mathai, P. S. Shaji
Coating technology is widely recognized as the most cost-effective and efficient method of preventing metal corrosion. Polymers have been regarded as a powerful coating material owing to their excellent barrier qualities, simplicity of modification, and large-scale production. Nanomaterials differ significantly from their physical and chemical properties, and have been hailed as highly promising functional materials in a wide range of applications, affecting nearly every aspect of science and technology. The addition of organic or inorganic nanofiller particles to polymer nanocomposite coatings may improve corrosion protection and lower the possibility of blistering or delamination. High hardness for polymer coatings, on the other hand, could be achieved by forming hard nanocrystalline phases inside the matrix. This article provides an overview of recent developments in polymer nanocomposite coatings in terms of their history, coating methods, properties, features, and drawbacks.
涂层技术被广泛认为是防止金属腐蚀的最经济有效的方法。聚合物由于其优异的阻隔性、简单的改性和大规模生产而被认为是一种强大的涂层材料。纳米材料在物理和化学性质上有很大的不同,被誉为具有广泛应用前景的功能材料,几乎影响着科学技术的各个方面。在聚合物纳米复合涂层中加入有机或无机纳米填充颗粒可以提高涂层的防腐蚀性能,降低涂层起泡或分层的可能性。另一方面,聚合物涂层的高硬度可以通过在基体内部形成坚硬的纳米晶相来实现。本文从聚合物纳米复合涂层的发展历史、涂层方法、性能、特点和缺点等方面综述了聚合物纳米复合涂层的研究进展。
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引用次数: 2
Photocrosslinking Property of Certain Synthesized Bis(arylidene)cycloalkanone based Random Copolyesters with Computational Support and their Anticancer Study 具有计算支持的合成双芳基环烷酮随机共聚酯的光交联性能及其抗癌研究
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.57161
B. Kiruba, S. Chidambaravinayagam
The synthesis of random copolyesters involves polycondensation of arylidene diol with curcumin and glutaryl chloride in 1:1:2 ratio. For this monomers, 2,6-bis-(4-hydroxy benzylidene) cyclohexanone, 2,6-bis-(4-hydroxy-3-methoxybenzylidene)cyclohexanone, 2,5-bis-(4-hydroxybenzylidene)cyclopentanone and 2,5-bis-(4-hydroxy-3-methoxy benzylidene)cyclopentanone were synthesized using acid catalyzed Claisen-Schmidt reaction. Qualitative solubility tests reveal that prepared copolyesters dissolve well in polar solvents. The successful formation of copolyesters was confirmed by Fourier transform-infrared spectroscopy and proton nuclear magnetic resonance spectroscopic techniques.  Glass transition temperature of prepared polymers was calculated using differential scanning calorimetric analysis. Further, the prepared copolyesters were utilized as in vitro anticancer agents against breast cancer MCF7 cells. The experimental results of phototcrosslinking property of the copolyesters was compared with that of computational method by DFT calculations which shows coincidence of both.
用姜黄素和戊二酰氯按1:1:2的比例缩聚芳基二醇,合成无规共聚酯。采用酸催化Claisen-Schmidt反应合成了2,6-二-(4-羟基-3-甲氧基苄基)环己酮、2,6-二-(4-羟基-3-甲氧基苄基)环己酮、2,5-二-(4-羟基-3-甲氧基苄基)环戊酮和2,5-二-(4-羟基-3-甲氧基苄基)环戊酮。定性溶解度试验表明,所制备的共聚酯在极性溶剂中溶解良好。用傅里叶变换红外光谱和质子核磁共振波谱技术证实了共聚酯的成功形成。用差示扫描量热分析法计算了所制备聚合物的玻璃化转变温度。此外,所制备的共聚酯被用作乳腺癌MCF7细胞的体外抗癌剂。用DFT计算方法对共聚酯的光交联性能的实验结果与计算结果进行了比较,两者吻合。
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引用次数: 1
Self Adaptive Fuzzy Controller for Supplementary Oxygen Supply to the Respiratory Distress Patients 呼吸窘迫患者补充供氧的自适应模糊控制器
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.58391
I. Naskar, A. K. Pal
In this paper, respiratory irregularities of humans are investigated, and a self Adaptive Fuzzy Logic-based Proportional plus Derivative Controller (AFLPDC) is designed to provide a controlled supply of oxygen to the patient, suffering from breathlessness. The Fuzzy Logic-based Proportional plus Derivative Controller (FLPDC) is tuned, by implementing an adaptive scheme, which provides desired control action according to the process parameter variations. The electrical equivalent model of the respiratory system is developed, and the model is validated with the help of a Spirometer and MATLAB System Identification Toolbox. To build up this model, the respiratory tract is well thought out into four sections: the nasal cavity, trachea, bronchi, and finally, the alveolar sacs. Each of these sections is represented as a series of combinations of Resistance, Inductance, and Compliance. The control capability of the proposed AFLPDC is investigated on the derived respiratory model. The supply of the desired level of supplemental oxygen by AFLPDC to the patients suffering from the diseases like Bronchitis and Emphysema during respiratory dysfunction is observed in the MATLAB SIMULINK environment without human intervention. The response revealed by AFLPDC is compared with the responses of the conventional PD controller and the Fuzzy Logic-based PD controller (FLPDC).
本文研究了人类的呼吸不规律,设计了一种基于自适应模糊逻辑的比例微分控制器(AFLPDC),为呼吸困难的患者提供可控的氧气供应。采用自适应方法对基于模糊逻辑的比例微分控制器(FLPDC)进行调谐,使其能够根据过程参数的变化提供所需的控制动作。建立了呼吸系统的电等效模型,并利用呼吸计和MATLAB系统识别工具箱对模型进行了验证。为了建立这个模型,呼吸道被很好地分为四个部分:鼻腔、气管、支气管,最后是肺泡囊。这些部分中的每一部分都表示为电阻、电感和顺应性的一系列组合。在推导的呼吸模型上,研究了所提出的AFLPDC的控制能力。在MATLAB SIMULINK环境下,在没有人为干预的情况下,观察AFLPDC在呼吸功能障碍期间为支气管炎、肺气肿等疾病患者提供所需的补氧水平。将AFLPDC的响应与传统PD控制器和基于模糊逻辑的PD控制器(FLPDC)的响应进行了比较。
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引用次数: 1
Excess Thermodynamic Properties of Binary Mixtures of Dimethyl Malonate with some Branched Alkanols 丙二酸二甲酯与一些支链烷醇二元混合物的超热力学性质
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.57976
K. P. Krishna, P. B. Sandhyasri, K. Anitha, G. R. Babu, K. R. Kumar, R. Raju
The intermolecular hydrogen bond interactions in the dimethyl malonate with some branched alkanols (2-methyl-1-propanol, 2-propanol, and 2-butanol) binary mixture have been studied experimentally and theoretically. The ultrasonic velocities U, densities ρ of binary mixtures of dimethyl malonate with 2-methyl-1-propanol, 2-propanol, 2-butanol from 303.15 K to 318.15 K were measured. Excess molar volume (VE), deviation in adiabatic compressibility (Δβad) and excess intermolecular free length ( LEf) have been calculated from the measured experimental data. It is observed that the order of interactions in dimethyl malonate – branched alkanols mixtures is 2-methyl-1-propanol > 2-propanol > 2-butanol.
对丙二酸二甲酯与支链烷醇(2-甲基-1-丙醇、2-丙醇和2-丁醇)二元混合物的分子间氢键相互作用进行了实验和理论研究。测定了丙二酸二甲酯与2-甲基-1-丙醇、2-丙醇、2-丁醇二元混合物在303.15 ~ 318.15 K范围内的超声速度U、密度ρ。根据实测实验数据计算了超摩尔体积(VE)、绝热压缩偏差(Δβad)和超分子间自由长度(LEf)。结果表明,丙酸二甲酯-支链烷醇混合物的相互作用顺序为:2-甲基-1-丙醇> 2-丙醇> 2-丁醇。
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引用次数: 0
Existence Solutions of ABC-Fractional Differential Equations with Periodic and Integral Boundary Conditions 具有周期和积分边界条件的abc -分数阶微分方程的存在性解
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.58210
M. Muhammad, A. Rafeeq
The nonlinear fractional differential equation (FDE) is discussed in this study. First, we will investigate the existence and uniqueness solution of the nonlinear differential equation to the Atangana-Baleanu fractional derivative in the sense of Caputo with the initial periodic condition and integral boundary condition by Krasnoselskii’s and Banach fixed point theorems. Then, we will study the Hyers-Ulam stability of our problem. Finally, we presented an example to demonstrate the use of our main theorems.
本文讨论了非线性分数阶微分方程。首先,利用Krasnoselskii不动点定理和Banach不动点定理,研究了具有初始周期条件和积分边界条件的Caputo意义下Atangana-Baleanu分数阶导数非线性微分方程的存在唯一性解。然后,我们将研究问题的Hyers-Ulam稳定性。最后,我们给出了一个示例来演示我们的主要定理的使用。
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引用次数: 1
Interpretation of Acousting Sounding Records with Meterological Parameters and Ventilation Coefficient Over Delhi 用气象参数和通风系数解释德里上空探空记录
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.58317
P. Singh, K. Soni, A. S. Nair, N. Kumar, Ranjan Sharma
Atmospheric Boundary Layer (ABL) height is an important parameter in defining the Ventilation Coefficient (VC) of any area. In this work, SODAR (Sound Detection and Ranging) observed data of different echograms for the year 2020 has been used for structure identification. The interpretation of ecograms is often not straight-forward. In this paper, an interpretation of different echograms along with meteorological parameters over Delhi is described. The ecogram structures were interpreted along with VC analysis. It is observed from the structures that during foggy days, VC values vary from day to day in the winter, with daily maximum values occurring between 13:00 and 15:00 h. The daytime values varied significantly from sunrise to sunset, while the night-time values remained relatively stable (200 m2/s). However, due to fog diurnal variation from 16:00 h to 11:00 h, that is from evening to all night and then the next morning until 12:00 h, the atmospheric condition remained stable. At maximal wind speeds, a maximum VC of 1600 m2/s (at 12:00 h) was observed during extended fumigation. With minimal wind speeds and ABL height, a minimum VC of 100 m2/s (at 20:00 h) was observed. However, both VCs were smaller than the optimal VC for 6000 m2/s safe dispersion.
大气边界层高度是确定任何地区通风系数的重要参数。在这项工作中,SODAR(声音探测和测距)观测到的2020年不同回声图数据被用于结构识别。生态图的解释通常不是直截了当的。本文描述了德里上空不同回波图与气象参数的解释。并用VC分析对ecogram结构进行了解释。从构筑物上观测到,在冬季雾天,VC值每天都有变化,日最大值出现在13:00 ~ 15:00之间。从日出到日落,白天的VC值变化明显,而夜间VC值保持相对稳定(200 m2/s)。但由于16:00 h - 11:00,即傍晚到整夜再到次日清晨至12:00 h,雾日变化较大,大气状况保持稳定。在最大风速下,延长熏蒸期间观察到的最大VC为1600 m2/s (12:00 h)。在最小风速和ABL高度下,最小VC值为100 m2/s (20:00 h)。然而,这两个VC都小于6000 m2/s安全分散的最佳VC。
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引用次数: 1
Lifestyle and Dietary Factors Causing Microsatellite Instability Gastric Cancer Detected using Ensemble Modeling 生活方式和饮食因素导致微卫星不稳定的集成模型检测胃癌
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.58331
S. K. Brindha, P. Charkarborthy, S. Chenkual, J. Zohmingthanga, J. Pautu, P. Nath, A. Maitra, N. S. Kumar, L. Hmingliana
Aim of this study is to identify diet and lifestyle patterns that cause microsatellite instability gastric cancer (MSI-GC) using supervised machine learning algorithms. There were 142 genetic variants acquired via targeted resequencing of 60 biomarker genes from gastric tumor samples and tabulated with respect to MSI status, diet and lifestyle characteristics. Four classifiers (logistic regression, random forest, logistic regression, multilayer perceptron) were used to train the data and evaluated based on their classification efficiency. Data analysis revealed features extracted using ridge regression: extra salt, smoked food, smokeless tobacco products (Khaini /sadha), alcohol and betel nut leaf with lime (khuva) were the core factors for causing MSI-GC. The extracted features were exploited using random forest and multilayer perceptron classifiers, which has produced accuracy, precision, recall, F1 score, and Receiver operating characteristics (ROC) curve of 96 %. The brier score was 0.04 and Matthews correlation coefficient (MCC) was +0.91. Linear regression results revealed khuva was main driving factor and extra salt, smoked food, khaini/sadha and alcohol were confounding factors to cause MSI-GC. This is a first-time report that integrates mutation and diet-lifestyle data using machine learning, to precisely identify the driving and confounding factors for causing MSI-GC.
本研究的目的是使用监督机器学习算法确定导致微卫星不稳定性胃癌(MSI-GC)的饮食和生活方式模式。通过对来自胃肿瘤样本的60个生物标志物基因进行靶向重测序,获得了142个遗传变异,并将MSI状态、饮食和生活方式特征制成表格。采用逻辑回归、随机森林、逻辑回归、多层感知器四种分类器对数据进行训练,并对其分类效率进行评价。数据分析显示,脊回归提取的特征:额外的盐、烟熏食品、无烟烟草制品(Khaini /sadha)、酒精和带酸橙的槟榔叶(khuva)是导致MSI-GC的核心因素。利用随机森林和多层感知器分类器对提取的特征进行分类,得到准确率、精密度、召回率、F1评分和Receiver operating characteristic (ROC)曲线均达96%。brier评分为0.04,Matthews相关系数(MCC)为+0.91。线性回归结果显示,khuva是导致MSI-GC的主要驱动因素,过量盐、烟熏食物、khaini/sadha和酒精是导致MSI-GC的混杂因素。这是首次使用机器学习整合突变和饮食生活方式数据的报告,以精确识别导致MSI-GC的驱动因素和混杂因素。
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引用次数: 0
Temperature-Dependent Ultrasonic Properties of Semiconducting M2CO2 (M= Ti, Zr, Hf) MXenes 半导体M2CO2 (M= Ti, Zr, Hf) MXenes的温度相关超声特性
Pub Date : 2022-09-01 DOI: 10.3329/jsr.v14i3.56976
P. Yadawa, N. Chaurasiya, S. Rai, A. Prajapati
Here, we have studied the elastic, ultrasonic, mechanical, and thermal behavior of temperature-dependent hexagonal oxygen-functionalized M2CO2 (M= Ti, Zr, Hf) MXenes. The higher-order linear and nonlinear elastic constants, viz., second-order (SOECs), and third-order (TOECs) have been computed using the Lenard Jones interaction potential model. For mechanical characterization, bulk modulus (B), shear modulus (G), Young's modulus (Y), Pugh's ratio (B / G), Poisson's ratio, and anisotropic index are evaluated using SOECs. Born's stability and Pugh's criteria are used to examine the nature and strength of the MXenes in all the temperatures. For the investigation of anisotropic behavior and its thermophysical properties, temperature-dependent ultrasonic velocities and thermal relaxation time have been calculated along with different orientations from the unique axis of the crystal. The ultrasonic attenuation (UA) of a longitudinal and shear wave due to phonon-phonon (p-p) interaction and thermoelastic relaxation mechanism were investigated for these oxygen-functionalized MXenes. Thermal conductivity is a principal contributor to the behavior of UA due to p-p interactions. Our analysis suggests that semiconductor Ti2CO2 MXenes show superior mechanical properties to other oxygen-functionalized MXenes. Computed elastic, ultrasonic, and thermal properties are correlated to evaluate the microstructural behavior of the materials useful for industrial applications.
在这里,我们研究了温度依赖的六方氧功能化M2CO2 (M= Ti, Zr, Hf) MXenes的弹性,超声波,机械和热行为。使用Lenard Jones相互作用势模型计算了高阶线性和非线性弹性常数,即二阶(SOECs)和三阶(TOECs)。力学表征方面,利用soec评估了体积模量(B)、剪切模量(G)、杨氏模量(Y)、皮格比(B / G)、泊松比和各向异性指数。波恩的稳定性和皮尤的标准被用来检查MXenes在所有温度下的性质和强度。为了研究晶体的各向异性及其热物理性质,从晶体的唯一轴出发,沿不同方向计算了超声速度和热弛豫时间随温度的变化。研究了声子-声子(p-p)相互作用引起的纵波和横波的超声衰减(UA)和热弹性弛豫机制。由于p-p相互作用,热导率是UA行为的主要贡献者。我们的分析表明,半导体Ti2CO2 MXenes表现出优于其他氧官能化MXenes的机械性能。计算弹性,超声波和热性能相关联,以评估对工业应用有用的材料的微观结构行为。
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引用次数: 0
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