Antillatoxin (ATX) Time–Resolved Absorption and Resonance FT–IR and Raman Biospectroscopy and Density Functional Theory (DFT) Investigation of Vibronic–Mode Coupling Structure

Abstract

Antillatoxin (ATX) is a potent lipopeptide neurotoxin produced by the marine cyanobacterium Lyngbya majuscula. ATX activates voltage-gated sodium channels, which can cause cell depolarisation, NMDA-receptor over activity, excess calcium influx and neuronal necrosis. Parameters such as FT-IR and Raman vibrational wavelengths and intensities for single crystal Antillatoxin 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 bonds for adjacent molecules. The current study aimed to investigate the possibility of simulating the empirical values. Analysis of vibrational spectrum of Antillatoxin is performed based on theoretical simulation and FT-IR empirical spectrum and Raman empirical spectrum using density functional theory in levels of HF/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.

Okadaic Acid 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

“…Oxidative stress causes cell damage leading to various health issues such as chronic disease, cancer, autoimmune disorders, aging, cataract, rheumatoid arthritis, cardiovascular diseases, neurodegenerative diseases, respiratory disorders [210][211][212][213][214][215][216][217][218] and also the induced oxidative stress causes bronchial contraction by the release of cyclooxygenase and lipoxygenase in the airway that leads to bronchial asthma in human [219][220][221][222][223][224][225]. Asthma is a chronic inflammatory lung disease that happens due to the respiratory infection triggered by the inhalation of allergens like tobacco smoke, air pollutants, genetic and environment factors [226][227][228][229][230][231][232] which leads to the release of histamine and leukotrienes from the mast cell in the lung. The high release of histamine due to allergic reactions is regulated by histamine H1 receptor [233][234][235].…”

Hereditary immunity in cancer

“…Diagnosis of gastric cancer at first are obtained from laboratory tests and biopsy of stomach with endoscopy. In the next step, cancer may be treated with Surgery, radiation therapy, chemotherapy or immunotherapy [267][268][269][270][271][272][273][274][275][276][277][278][279][280][281][282][283][284]. Lung cancer is one of the deadliest cancers, such that it causes more deaths compared to breast cancer, colon cancer and prostate cancer and it is mainly because it cannot be diagnosed at early stages due to shortage of symptoms, such that survival rate of patients for 5 years after surgery is only 14%; while diagnosing the disease at early stages increases this probability to 70%.…”

A comprehensive review on functional roles of cancerous immunoglobulins and potential applications in cancer immunodiagnostics and immunotherapy

“…The design aims are traded-off between two opponent aims, eliminate of tumor cells and reducing of side effects after a predefined time. Moreover, there are clinical limitations in treatment administration such as drug concentration, drug toxicity and drug resistant [274][275][276][277][278][279]. So, drug schedules must be balanced between the reducing of tumor cells, drug concentration and drug toxicity during fixed period of treatment with no drug resistant.…”