ناشر تخصصی کنفرانس های ایران

لطفا کمی صبر نمایید

Publisher of Iranian Journals and Conference Proceedings

Please waite ..
Publisher of Iranian Journals and Conference Proceedings
Login |Register |Help |عضویت کتابخانه ها
Paper
Title

Adsorption of procarbazine anti-cancer Drug on the Surface of graphene: A DFT Study

Year: 1400
COI: JR_IJNC-8-4_008
Language: EnglishView: 24
This Paper With 13 Page And PDF Format Ready To Download

Buy and Download

با استفاده از پرداخت اینترنتی بسیار سریع و ساده می توانید اصل این Paper را که دارای 13 صفحه است به صورت فایل PDF در اختیار داشته باشید.
آدرس ایمیل خود را در کادر زیر وارد نمایید:

Authors

Behnam Farhang Rik - Department of Inorganic Chemistry, Faculty of Chemistry, Tehran North Branch, Islamic Azad University, Tehran, Iran
Roya ranjineh khojasteh - Department of Inorganic Chemistry, Faculty of Chemistry, Tehran North Branch, Islamic Azad University, Tehran, Iran
Roya Ahmadi - Department of Chemistry, College of Basic Sciences, Yadegar-e-Imam Khomeini (RAH) Shahre Rey Branch, Islamic Azad University, Tehran, Iran

Abstract:

The present study aimed to assess the adsorption of graphene with anticancer drug procarbazine in a gas and solvent phase (water) at the B۳LYP/۶-۳۱G (d) theoretical level. Initially, the structures of procarbazine and graphene complexes were optimized in three configurations. Afterwards, IR calculations and molecular orbital analysis were performed. In addition, some important parameters were assessed, including the adsorption energy, Gibbs free energy changes (ΔGad), enthalpy (ΔHad) variations, thermodynamic equilibrium constant, specific heat capacity, chemical hardness, energy gap, and electrophilicity. According to the results, Gibbs free energy changes (ΔGad), enthalpy (ΔHad) variations, I-Isomer and II-Isomer and III-Isomer were negatives at various temperatures, throughout the temperature range of ۲۹۸.۱۵-۳۱۰.۱۵ K. Since according to the obtained results for adsorption of procarbazine on the graphene in I-Isomer and II-Isomer and III-Isomer were spontaneous at various temperatures, throughout the temperature range of ۲۹۸.۱۵-۳۱۰.۱۵ K. Structural properties calculated, including the density and length of C-N bonds, and the findings of the analysis of molecular orbitals indicated that the reactivity, electrophilicity, and conductivity of procarbazine are reduced after this reaction. Also the calculated specific heat capacity values indicated that graphene could be utilized as a sensing material in the construction of thermal biosensors for procarbazine determination.

Keywords:

Paper COI Code

This Paper COI Code is JR_IJNC-8-4_008. Also You can use the following address to link to this article. This link is permanent and is used as an article registration confirmation in the Civilica reference:

https://civilica.com/doc/1293381/

How to Cite to This Paper:

If you want to refer to this Paper in your research work, you can simply use the following phrase in the resources section:
Farhang Rik, Behnam and ranjineh khojasteh, Roya and Ahmadi, Roya,1400,Adsorption of procarbazine anti-cancer Drug on the Surface of graphene: A DFT Study,https://civilica.com/doc/1293381

مراجع و منابع این Paper:

لیست زیر مراجع و منابع استفاده شده در این Paper را نمایش می دهد. این مراجع به صورت کاملا ماشینی و بر اساس هوش مصنوعی استخراج شده اند و لذا ممکن است دارای اشکالاتی باشند که به مرور زمان دقت استخراج این محتوا افزایش می یابد. مراجعی که مقالات مربوط به آنها در سیویلیکا نمایه شده و پیدا شده اند، به خود Paper لینک شده اند :

  • F. Krika, A. Krika, A. Azizi, Chem. Rev. Let. ۲, ...
  • S. Samadi, R. Ahmadi, M. Kohi, Int. J. New. Chem. ...
  • M. Nabati, E. Pournamdari, V. Bodaghi-Namileh, Y. Dashti-Rahmatabadi, S. Sarshar, ...
  • M. Nabati, V. Bodaghi-Namileh, J. Phys. Theor. Chem. IAU Iran ...
  • M. Nabati, V. Bodaghi-Namileh, Adv. J. Chem. A ۳, ۵۸ ...
  • M. Nabati, H. Sabahnoo, E. Lohrasbi, M. Mazidi, Chem. Methodol. ...
  • M. Mozafarjalali, M. Hajiani, A. Haji, Int. J. New. Chem. ...
  • F. Z. Benhachem, T. Attar, F. Bouabdallah, Chem. Rev. Let. ...
  • M. Rossetti, S. Ranallo, A. Idili, G. Palleschi, A. Porchetta, ...
  • S. Sakurai, D. Sawada, T. Yonetani, A. Tsuneshige, Biophys. J. ...
  • B. Jensen, A. Fago, J. Inorg. Biochem. ۱۸۲, ۱۳۳ (۲۰۱۸) ...
  • E. Hegin, J. Shalini, A. Subramaniyan, Int. J. New. Chem. ...
  • Z. Sarikhani, M. Manoochehri, Int. J. New. Chem. ۷, ۳۰ ...
  • M. S. Nagar, Int. J. New. Chem. ۷, ۱۵۰ (۲۰۲۰) ...
  • W. A. Eaton, E. R. Henry, J. Hofrichter, S. Bettati, ...
  • Y. Morita, T. Yamada, M. Kureishi, K. Kihira, T. Komatsu, ...
  • M. Bender, GeneReviews, ۲۰۱۷, ۱۹۹۳ (۲۰۱۷) ...
  • I. Benenson, S. Porter, Orthop. Nurs. ۳۷, ۲۲۱ (۲۰۱۸) ...
  • A. Habara, M. H. Steinberg, Exp. Biol. Med. ۲۴۱, ۶۸۹ ...
  • A. Bellelli, M. Brunori, Biochim. Biophys. Acta ۱۸۰۷, ۱۲۶۲ (۲۰۱۱) ...
  • S. K. Tossea, E. G. Adji, B. Coulibaly, B. A. ...
  • B. J. Kumar, A. B. Kumar, L. L. Reddy, World ...
  • a) E. Depetris‐Chauvin, D. N. Weil, Econ. J. ۱۲۸, ۱۲۰۷ ...
  • R. E. Ware, M. de Montalembert, L. Tshilolo, M. R. ...
  • M. Nabati, V. Bodaghi-Namileh, Int. J. New. Chem. ۶, ۲۵۴ ...
  • B. Metcalf, C. Chuang, K. Dufu, M. P. Patel, A. ...
  • N. M. Elmaki, I. A. Al Sadawi, A. M. Gbaj, ...
  • R. Macdonald, M. Phillips, D. Cascio, M. Collazo, R. T. ...
  • R. Ramachandran, C. Zhao, D. Luo, K. Wang, F. Wang, ...
  • J.-K. Hong, E. H. Jho, H. S. Choi, G. Kang, ...
  • J. J. Yan, T. Kroll, M. L. Baker, S. A. ...
  • M. Khoshouei, R. Danev, J. M. Plitzko, W. Baumeister, J. ...
  • Research Info Management

    Certificate | Report | من نویسنده این مقاله هستم

    اطلاعات استنادی این Paper را به نرم افزارهای مدیریت اطلاعات علمی و استنادی ارسال نمایید و در تحقیقات خود از آن استفاده نمایید.

    Scientometrics

    The specifications of the publisher center of this Paper are as follows:
    Type of center: Azad University
    Paper count: 7,805
    In the scientometrics section of CIVILICA, you can see the scientific ranking of the Iranian academic and research centers based on the statistics of indexed articles.

    Share this page

    More information about COI

    COI stands for "CIVILICA Object Identifier". COI is the unique code assigned to articles of Iranian conferences and journals when indexing on the CIVILICA citation database.

    The COI is the national code of documents indexed in CIVILICA and is a unique and permanent code. it can always be cited and tracked and assumed as registration confirmation ID.

    Support