Growth, characterizations, and the structural elucidation of diethyl-2-(3-oxoiso-1,3-dihydrobenzofuran-1-ylidene)malonate crystalline specimen for dielectric and electronic filters, thermal, optical, mechanical, and biomedical applications using conventional experimental and theoretical practices

M. Rajkumar; J. Maalmarugan; G. Flora; S. Surendarnath; S. Christy; P. Periyathambi; Shashank Kumar; R. P. Patel; F. Dayana Lobo; Atul Kumar Singh; M. Vimalan; K. SenthilKannan

首页> 外文期刊>Journal of materials science >Growth, characterizations, and the structural elucidation of diethyl-2-(3-oxoiso-1,3-dihydrobenzofuran-1-ylidene)malonate crystalline specimen for dielectric and electronic filters, thermal, optical, mechanical, and biomedical applications using conventional experimental and theoretical practices

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Growth, characterizations, and the structural elucidation of diethyl-2-(3-oxoiso-1,3-dihydrobenzofuran-1-ylidene)malonate crystalline specimen for dielectric and electronic filters, thermal, optical, mechanical, and biomedical applications using conventional experimental and theoretical practices

机译：二乙基-2-（3-氧代溶解-1,3-二氢呋喃脲-1- ylidene）的生长，表征和结构阐明，用于介电和电子滤波器，热，光学，机械和生物医学应用的丙二酸酯结晶试样，使用常规实验和理论实践

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The single crystals of diethyl-2-(3-oxoiso-l,3-dihydrobenzofuran-l-ylidene) malonate (D23DYM) were grown successfully and efficiently by the standard slow evaporation method. The lattice cell parameters by XRD analysis also confirmed that the crystal system is Triclinic with the space group of Pi. The FTIR spectrum portrays the presence of major and active functional groups in D23DYM. The thermal studies explained the two major weight losses between 107 and 153 °C and 153 and 800 °C for D23DYM have been observed. It is very clear that the hardness profile of D23DYM increases with increase in load which confirms reverse indentation size effect (RISE), and the work-hardening coefficient 'n' was observed as 2.936. The negative photoconductive nature as the predominant property and the dielectric constant and dielectric loss are perfectly and accurately measured and properly reported. The structural properties by theoretical manner confirm the elucidation as well as the confirmation for XRD data and the computational way of identifying the lattice bond length and bond angles using software. Diabetes mellitus is the commonly occurring disease associated with lifestyle and feeding behavior of D23DYM-organic crystals are tested by the use of molecular docking. The binding affinity values for the standard inhibitor A74DME and investigational compound D23DYM were - 8.1 kJ/mole and - 8.3 kJ/mole, respectively, and in future may get proceeded for in vivo animal analysis as well as anti-cancer work as the benzofuran is present in the crystal and is better diabetic- and cancer-opposing agent.

机译：通过标准缓慢蒸发方法成功且有效地生长二乙基-2-（3-氧代溶胶-1,3-二氢呋喃脲-1- ylidene）丙二酸酯（D23DYM）的单晶。 XRD分析的晶格细胞参数还证实了晶体系统与PI的空间组的三晶体。 FTIR光谱描绘了D23DYM中的主要和活性官能团的存在。热学研究解释了107至153°C之间的两个主要重量损失，并且已经观察到D23DYM的153和800℃。很明显，D23dym的硬度曲线随着载荷的增加而增加，该负载率证实了逆向压痕尺寸效应（上升），并且在工作 - 硬化系数'n'被观察为2.936。作为主要性能和介电常数和介电损耗的负光电导性是完全和准确地测量和适当报道的。通过理论上的结构特性证实了阐明以及XRD数据的确认以及使用软件识别晶格键长度和键角的计算方式。糖尿病是与生活方式相关的通常发生的疾病，通过使用分子对接来测试D23dym-有机晶体的饲养行为。标准抑制剂A74DME和研究化合物D23DYM的结合亲和力值分别为-8.1kJ / molat和-8.3kJ / mole，并且在将来可能在体内动物分析以及苯并呋喃的抗癌工作中进行存在于晶体中，是更好的糖尿病和癌症对立剂。

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来源
《Journal of materials science》 |2021年第18期|22822-22839|共18页
作者
M. Rajkumar; J. Maalmarugan; G. Flora; S. Surendarnath; S. Christy; P. Periyathambi; Shashank Kumar; R. P. Patel; F. Dayana Lobo; Atul Kumar Singh; M. Vimalan; K. SenthilKannan;
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作者单位

Department of Chemistry Kalasalingam Academy of Research and Education Krishnankoil 626126 Tamilnadu India;

Department of EEE Sri Ranganathar Institute of Engineering and Technology Athipalayam Coimbatore 641 110 Tamilnadu India;

Department of Botany St. Mary's College (Autonomous) Thoothukudi 628001 Tamilnadu India;

Department of Mechanical Engineering Sri Venkateswam College of Engineering and Technology (A) Chit-toor 517 127 Andhra Pradesh India;

Department of Information Technology Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Saveetha University Chennai 602 105 Tamilnadu India;

Department of ECE Paavai Engineering College (Autonomous) Pachal Namakkal 637 018 Tamilnadu India;

Molecular Signaling & Drug Discovery Laboratory Department of Biochemistry Central University of Punjab Bathinda 151 401 India;

Department of Pure and Applied Physics Guru Ghasidas Vishwavidyala Bilaspur 495 001 Chhattisgarh India;

Department of Botany St. Mary's College (Autonomous) Thoothukudi 628001 Tamilnadu India;

Molecular Signaling & Drug Discovery Laboratory Department of Biochemistry Central University of Punjab Bathinda 151 401 India;

Department of Physics Thirumalai Engineering College Kilambi Kanchipuram 631 551 Tamilnadu India;

Department of Physics/R&D Edayathangudy G.S Pillay Arts and Science College (Autonomous-Affiliated to Bharathidasan University Trichy 620024) Nagapattinam 611 002 India;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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Growth, characterizations, and the structural elucidation of diethyl-2-(3-oxoiso-1,3-dihydrobenzofuran-1-ylidene)malonate crystalline specimen for dielectric and electronic filters, thermal, optical, mechanical, and biomedical applications using conventional experimental and theoretical practices

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