Cobrotoxin 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

Heidari, Alireza; Esposito, Jennifer; Caissutti, Angela

doi:10.15761/tr.1000152

Cited by 6 publications

(9 citation statements)

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“…The high release of histamine due to allergic reactions is regulated by histamine H1 receptor [233][234][235]. Histamine affects the immune response and related functions in human through H1, H2, H3 and H4 receptors activation with their intracellular signals [236][237][238]. The present research work demonstrates the chemotaxonomy of such valuable plant, from the genus of Okadaic acid.…”

Section: Introductionmentioning

confidence: 82%

“…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].…”

Section: Introductionmentioning

confidence: 99%

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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

Heidari¹,

Esposito²,

Caissutti³

2019

Int J Analyt Bioanalyt Methods

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Okadaic acid, C 44 H 68 O 13, is a toxin produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. One of the primary causes of diarrhetic shellfish poisoning, Okadaic acid is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells. A polyketide, polyether derivative of a C38 fatty acid, Okadaic acid and other members of its family have shined light upon many biological processes both with respect to dinoflagellate polyketide synthesis as well as the role of protein phosphatases in cell growth. Parameters such as FT -IR and Raman vibrational wavelengths and intensities for single crystal Okadaic Acid 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 Okadaic Acid 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 .

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Section: Introductionmentioning

confidence: 82%

Section: Introductionmentioning

confidence: 99%

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

Heidari¹,

Esposito²,

Caissutti³

2019

Int J Analyt Bioanalyt Methods

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“…receptor . Histamine affects the immune response and related functions in human through H1, H2, H3 and H4 receptors activation with their intracellular signals [237][238][239][240]. The present research work demonstrates the chemotaxonomy of such valuable plant, from the genus of Tetrodotoxin (TTX).…”

Section: Introductionmentioning

confidence: 70%

“…cancer, autoimmune disorders, aging, cataract, rheumatoid arthritis, cardiovascular diseases, neurodegenerative diseases, respiratory disorders [211][212][213][214][215][216][217][218][219] and also the induced oxidative stress causes bronchial contraction by the release of cyclooxygenase and lipooxygenase in the airway that leads to bronchial asthma in human [220][221][222][223][224][225][226]. 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 [227][228][229][230][231][232][233] 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…”

Section: Introductionmentioning

confidence: 99%

Tetrodotoxin (TTX) 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

Heidari

Esposito

Caissutti

2019

JNDC

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Tetrodotoxin (TTX) is a potent neurotoxin. Its name derives from Tetraodontiformes, an order that includes pufferfish, porcupinefish, ocean sunfish, and triggerfish; several of these species carry the toxin. Although tetrodotoxin was discovered in these fish and found in several other aquatic animals (e.g., in blue-ringed octopuses, rough-skinned newts, and moon snails), it is actually produced by certain infecting or symbiotic bacteria like Pseudoalteromonas, Pseudomonas, and Vibrio as well as other species found in animals.Parameters such as FT-IR and Raman vibrational wavelengths and intensities for single crystal Tetrodotoxin (TTX) 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 Tetrodotoxin (TTX) 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

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“…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.…”

Section: Introductionmentioning

confidence: 99%

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

Heidari

Peterson

2020

IJAC

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In this research, poly (D, L-lactide-co-glycolide)-block-poly (ethylene glycol), (PLGA-PEG) nanoparticles (NPs) of less than 195 nm in diameter containing of Naringenin (NRG) a naturally flavonoid were synthesized. Encapsulated form NRG improves its medical properties and solubility. The therapeutic efficacy of the encapsulated naringenin (NRG-NPs) and NRG on human lung epithelial (A549) and mouse mammary (4T1) carcinoma cells proliferation was determined by MTT assays. The cytotoxicity potency was rated as follows: NRG-NPs > NRG. The antioxidant effects of the NRG and NRG-NPs were also determined by FRAP method. Our results show that NRG-NPs are cytotoxic compounds for cancer cells and anti-cancer effect can be attributed to the presence of Fe chelatory and antioxidant effects of NRG-NPs.

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Cobrotoxin 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

Cited by 6 publications

References 0 publications

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

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

Tetrodotoxin (TTX) 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

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

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