Alpha–conotoxin, omega–conotoxin and mu–conotoxin time–resolved absorption and resonance FT–IR and Raman biospectroscopy and density functional theory (DFT) investigation of vibronic–mode coupling structure in vibrational spectra analysis

  • Authors

    • Alireza Heidari Faculty of Chemistry, California South University (CSU), Irvine, California, USA
    • Jennifer Esposito Faculty of Chemistry, California South University (CSU), Irvine, California, USA
    • Angela Caissutti Faculty of Chemistry, California South University (CSU), Irvine, California, USA
    2019-05-05
    https://doi.org/10.14419/ijac.v7i1.28745
  • .

  • Abstract

    A Conotoxin is one of a group of neurotoxic peptides isolated from the venom of the marine cone snail, genus Conus. Conotoxins, which are peptides consisting of 10 to 30 amino acid residues, typically have one or more disulfide bonds. Conotoxins have a variety of mechanisms of actions, most of which have not been determined. However, it appears that many of these peptides modulate the activity of ion channels. Over the last few decades Conotoxins have been the subject of pharmacological interest. Parameters such as FT­–IR and Raman vibrational wavelengths and intensities for single crystal Alpha–Conotoxin, Omega–Conotoxin and Mu–Conotoxin are calculated using density functional theory and were compared with empirical results. The investigation about vibrational spectrum of cycle dimers in crystal with carboxyl groups from each molecule of acid was shown that it leads to create Hydrogen bounds for adjacent molecules. The current study aimed to investigate the possibility of simulating the empirical values. Analysis of vibrational spectrum of Alpha–Conotoxin, Omega–Conotoxin and Mu–Conotoxin is performed based on theoretical simulation and FT–IR empirical spectrum and Raman empirical spectrum using density functional theory in levels of F/6–31G*, HF/6–31++G**, MP2/6–31G, MP2/6–31++G**, BLYP/6–31G, BLYP/6–31++G**, B3LYP/6–31G and B3LYP6–31–HEG**. Vibration modes of methylene, carboxyl acid and phenyl cycle are separately investigated. The obtained values confirm high accuracy and validity of results obtained from calculations.

     

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      [111] A. Heidari, “Measurement the Amount of Vitamin D2 (Ergocalciferol), Vitamin D3 (Cholecalciferol) and Absorbable Calcium (Ca2+), Iron (II) (Fe2+), Magnesium (Mg2+), Phosphate (PO4–) and Zinc (Zn2+) in Apricot Using High–Performance Liquid Chromatography (HPLC) and Spectroscopic Techniquesâ€, J Biom Biostat 7: 292, 2016.

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      [124] A. Heidari, “Molecular Dynamics and Monte–Carlo Simulations for Replacement Sugars in Insulin Resistance, Obesity, LDL Cholesterol, Triglycerides, Metabolic Syndrome, Type 2 Diabetes and Cardiovascular Disease: A Glycobiological Studyâ€, J Glycobiol 5: e111, 2016.

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      [128] A. Heidari, C. Brown, “Phase, Composition and Morphology Study and Analysis of Os–Pd/HfC Nanocompositesâ€, Nano Res Appl. 2: 1, 2016.

      [129] A. Heidari, C. Brown, “Vibrational Spectroscopic Study of Intensities and Shifts of Symmetric Vibration Modes of Ozone Diluted by Cumeneâ€, International Journal of Advanced Chemistry, 4 (1) 5–9, 2016.

      [130] A. Heidari, “Study of the Role of Anti–Cancer Molecules with Different Sizes for Decreasing Corresponding Bulk Tumor Multiple Organs or Tissuesâ€, Arch Can Res. 4: 2, 2016.

      [131] A. Heidari, “Genomics and Proteomics Studies of Zolpidem, Necopidem, Alpidem, Saripidem, Miroprofen, Zolimidine, Olprinone and Abafungin as Anti–Tumor, Peptide Antibiotics, Antiviral and Central Nervous System (CNS) Drugsâ€, J Data Mining Genomics & Proteomics 7: e125, 2016.

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      [134] A. Heidari, “A Comparative Study on Simultaneous Determination and Separation of Adsorbed Cadmium Oxide (CdO) Nanoparticles on DNA/RNA of Human Cancer Cells Using Biospectroscopic Techniques and Dielectrophoresis (DEP) Methodâ€, Arch Can Res. 4: 2, 2016.

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      [141] A. Heidari, “A Gastrointestinal Study on Linear and Non–Linear Quantitative Structure (Chromatographic) Retention Relationships (QSRR) Models for Analysis 5–Aminosalicylates Nano Particles as Digestive System Nano Drugs under Synchrotron Radiationsâ€, J Gastrointest Dig Syst 6: e119, 2016.

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      [145] A. Heidari, “Graph Theoretical Analysis of Zigzag Polyhexamethylene Biguanide, Polyhexamethylene Adipamide, Polyhexamethylene Biguanide Gauze and Polyhexamethylene Biguanide Hydrochloride (PHMB) Boron Nitride Nanotubes (BNNTs), Amorphous Boron Nitride Nanotubes (a–BNNTs) and Hexagonal Boron Nitride Nanotubes (h–BNNTs)â€, J Appl Computat Math 5: e143, 2016.

      [146] A. Heidari, “The Impact of High-Resolution Imaging on Diagnosisâ€, Int J Clin Med Imaging 3: 1000e101, 2016.

      [147] A. Heidari, “A Comparative Study of Conformational Behavior of Isotretinoin (13–Cis Retinoic Acid) and Tretinoin (All–Trans Retinoic Acid (ATRA)) Nano Particles as Anti–Cancer Nano Drugs under Synchrotron Radiations Using Hartree–Fock (HF) and Density Functional Theory (DFT) Methodsâ€, Insights in Biomed 1: 2, 2016.

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      [149] A. Heidari, “Mathematical Equations in Predicting Physical Behaviorâ€, J Appl Computat Math 5: 5, 2016.

      [150] A. Heidari, “Chemotherapy a Last Resort for Cancer Treatmentâ€, Chemo Open Access 5: 4, 2016.

      [151] A. Heidari, “Separation and Pre–Concentration of Metal Cations–DNA/RNA Chelates Using Molecular Beam Mass Spectrometry with Tunable Vacuum Ultraviolet (VUV) Synchrotron Radiation and Various Analytical Methodsâ€, Mass Spectrom Purif Tech 2: e101, 2016.

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      [153] A. Heidari, “Cancer Risk Prediction and Assessment in Human Cells under Synchrotron Radiations Using Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Properties Relationship (QSPR) Studiesâ€, Int J Clin Med Imaging 3: 516, 2016.

      [154] A. Heidari, “A Novel Approach to Biologyâ€, Electronic J Biol 12: 4, 2016.

      [155] A. Heidari, “Innovative Biomedical Equipment’s for Diagnosis and Treatmentâ€, J Bioengineer & Biomedical Sci 6: 2, 2016.

      [156] A. Heidari, “Integrating Precision Cancer Medicine into Healthcare, Medicare Reimbursement Changes and the Practice of Oncology: Trends in Oncology Medicine and Practicesâ€, J Oncol Med & Pract 1: 2, 2016.

      [157] A. Heidari, “Promoting Convergence in Biomedical and Biomaterials Sciences and Silk Proteins for Biomedical and Biomaterials Applications: An Introduction to Materials in Medicine and Bioengineering Perspectivesâ€, J Bioengineer & Biomedical Sci 6: 3, 2016.

      [158] A. Heidari, “X–Ray Fluorescence and X–Ray Diffraction Analysis on Discrete Element Modeling of Nano Powder Metallurgy Processes in Optimal Container
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      [159] A. Heidari, “Biomolecular Spectroscopy and Dynamics of Nano–Sized Molecules and Clusters as Cross–Linking–Induced Anti–Cancer and Immune–Oncology Nano Drugs Delivery in DNA/RNA of Human Cancer Cells’ Membranes under Synchrotron Radiations: A Payload–Based Perspectiveâ€, Arch Chem Res. 1: 2, 2017.

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      [161] A. Heidari, “Electronic Coupling among the Five Nanomolecules Shuts Down Quantum Tunneling in the Presence and Absence of an Applied Magnetic Field for Indication of the Dimer or other Provide Different Influences on the Magnetic Behavior of Single Molecular Magnets (SMMs) as Qubits for Quantum Computingâ€, Glob J Res Rev. 4: 2, 2017.

      [162] A. Heidari, “Polymorphism in Nano–Sized Graphene Ligand–Induced Transformation of Au38–xAgx/xCux(SPh–tBu)24 to Au36–xAgx/xCux(SPh–tBu)24 (x = 1–12) Nanomolecules for Synthesis of Au144–xAgx/xCux[(SR)60, (SC4)60, (SC6)60, (SC12)60, (PET)60, (p–MBA)60, (F)60, (Cl)60, (Br)60, (I)60, (At)60, (Uus)60 and (SC6H13)60] Nano Clusters as Anti–Cancer Nano Drugsâ€, J Nanomater Mol Nanotechnol, 6: 3, 2017.

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      Enable Resource Discovery in Medical, Medicinal, Clinical, Pharmaceutical,
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      [164] A. Heidari, “Study of Synthesis, Pharmacokinetics, Pharmacodynamics, Dosing,
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      Cancer Enzymotherapy, Immunotherapy, Chemotherapy, Radiotherapy,
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      [165] A. Heidari, “A Novel Approach to Future Horizon of Top Seven Biomedical Research Topics to Watch in 2017: Alzheimer's, Ebola, Hypersomnia, Human Immunodeficiency Virus (HIV), Tuberculosis (TB), Microbiome/Antibiotic Resistance and Endovascular Strokeâ€, J Bioengineer & Biomedical Sci 7: e127, 2017.

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      [167] A. Heidari, “Concurrent Diagnosis of Oncology Influence Outcomes in Emergency General Surgery for Colorectal Cancer and Multiple Sclerosis (MS) Treatment Using Magnetic Resonance Imaging (MRI) and Au329(SR)84, Au329–xAgx(SR)84, Au144(SR)60, Au68(SR)36, Au30(SR)18, Au102(SPh)44, Au38(SPh)24, Au38(SC2H4Ph)24, Au21S(SAdm)15, Au36(pMBA)24 andAu25(pMBA)18 Nano Clustersâ€, J Surgery Emerg Med
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      [168] A. Heidari, “Developmental Cell Biology in Adult Stem Cells Death and Autophagy to Trigger a Preventive Allergic Reaction to Common Airborne Allergens under Synchrotron Radiation Using Nanotechnology for Therapeutic Goals in Particular Allergy Shots (Immunotherapy)â€, Cell Biol (Henderson, NV) 6: 1, 2017.

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      [175] A. Heidari, “Treatment of Breast Cancer Brain Metastases through a Targeted Nanomolecule Drug Delivery System Based on Dopamine Functionalized Multi–Wall Carbon Nanotubes (MWCNTs) Coated with Nano Graphene Oxide (GO) and Protonated Polyaniline (PANI) in Situ During the Polymerization of Aniline Autogenic Nanoparticles for the Delivery of Anti–Cancer Nano Drugs under Synchrotron Radiationâ€, Br J Res, 4 (3): 16, 2017.

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      [184] A. Heidari, “Investigation of Medical, Medicinal, Clinical and Pharmaceutical Applications of Estradiol, Mestranol (Norlutin), Norethindrone (NET), Norethisterone Acetate (NETA), Norethisterone Enanthate (NETE) and Testosterone Nanoparticles as Biological Imaging, Cell Labeling, Anti–Microbial Agents and Anti–Cancer Nano Drugs in Nanomedicines Based Drug Delivery Systems for Anti–Cancer Targeting and Treatmentâ€, Parana Journal of Science and Education (PJSE)–v.3, n.4, (10–19) October 12, 2017.

      [185] A. Heidari, “A Comparative Computational and Experimental Study on Different Vibrational Biospectroscopy Methods, Techniques and Applications for Human Cancer Cells in Tumor Tissues Simulation, Modeling, Research, Diagnosis and Treatmentâ€, Open J Anal Bioanal Chem 1 (1): 014–020, 2017.

      [186] A. Heidari, “Combination of DNA/RNA Ligands and Linear/Non–Linear Visible–Synchrotron Radiation–Driven N–Doped Ordered Mesoporous Cadmium Oxide (CdO) Nanoparticles Photocatalysts Channels Resulted in an Interesting Synergistic Effect Enhancing Catalytic Anti–Cancer Activityâ€, Enz Eng 6: 1, 2017.

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      [214] A. Heidari, “Comparative Study on Malignant and Benign Human Cancer Cells and Tissues with the Passage of Time under Synchrotron Radiationâ€, Open Access J Trans Med Res, 2 (1): 00026–00032, 2018.

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      [220] A. Heidari, “Thermal Spectroscopy, Photothermal Spectroscopy, Thermal Microspectroscopy, Photothermal Microspectroscopy, Thermal Macrospectroscopy and Photothermal Macrospectroscopy Comparative Study on Malignant and Benign Human Cancer Cells and Tissues with the Passage of Time under Synchrotron Radiationâ€, SM J Biometrics Biostat, 3 (1): 1024, 2018.

      [221] A. Heidari, “A Modern and Comprehen

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    Heidari, A., Esposito, J., & Caissutti, A. (2019). Alpha–conotoxin, omega–conotoxin and mu–conotoxin time–resolved absorption and resonance FT–IR and Raman biospectroscopy and density functional theory (DFT) investigation of vibronic–mode coupling structure in vibrational spectra analysis. International Journal of Advanced Chemistry, 7(1), 52-66. https://doi.org/10.14419/ijac.v7i1.28745

    Received date: 2019-04-03

    Accepted date: 2019-04-18

    Published date: 2019-05-05