Search results for: anti-oxidative compounds
1823 In vitro Estimation of Genotoxic Lesions in Peripheral Blood Lymphocytes of Rat Exposed to Organophosphate Pesticides
Authors: A. Ojha, Y. K. Gupta
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Organophosphate (OP) pesticides are among the most widely used synthetic chemicals for controlling a wide variety of pests throughout the world. Chlorpyrifos (CPF), methyl parathion (MPT), and malathion (MLT) are among the most extensively used OP pesticides in India. DNA strand breaks and DNA-protein crosslinks (DPC) are toxic lesions associated with the mechanisms of toxicity of genotoxic compounds. In the present study, we have examined the potential of CPF, MPT, and MLT individually and in combination, to cause DNA strand breakage and DPC formation. Peripheral blood lymphocytes of rat were exposed to 1/4 and 1/10 LC50 dose of CPF, MPT, and MLT for 2, 4, 8, and 12h. The DNA strand break was measured by the comet assay and expressed as DNA damage index while DPC estimation was done by fluorescence emission. There was significantly marked increase in DNA damage and DNA-protein crosslink formation in time and dose dependent manner. It was also observed that MPT caused the highest level of DNA damage as compared to other studied OP compounds. Thus, from present study, we can conclude that studied pesticides have genotoxic potential. The pesticides mixture does not potentiate the toxicity of each other. Nonetheless, additional in vivo data are required before a definitive conclusion can be drawn regarding hazard prediction to humans.Keywords: organophosphate, pesticides, DNA damage, DNA protein crosslink, genotoxic
Procedia PDF Downloads 3561822 Photocatalytic Disintegration of Naphthalene and Naphthalene Similar Compounds in Indoors Air
Authors: Tobias Schnabel
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Naphthalene and naphthalene similar compounds are a common problem in the indoor air of buildings from the 1960s and 1970s in Germany. Often tar containing roof felt was used under the concrete floor to prevent humidity to come through the floor. This tar containing roof felt has high concentrations of PAH (Polycyclic aromatic hydrocarbon) and naphthalene. Naphthalene easily evaporates and contaminates the indoor air. Especially after renovations and energetically modernization of the buildings, the naphthalene concentration rises because no forced air exchange can happen. Because of this problem, it is often necessary to change the floors after renovation of the buildings. The MFPA Weimar (Material research and testing facility) developed in cooperation a project with LEJ GmbH and Reichmann Gebäudetechnik GmbH. It is a technical solution for the disintegration of naphthalene in naphthalene, similar compounds in indoor air with photocatalytic reforming. Photocatalytic systems produce active oxygen species (hydroxyl radicals) through trading semiconductors on a wavelength of their bandgap. The light energy separates the charges in the semiconductor and produces free electrons in the line tape and defect electrons. The defect electrons can react with hydroxide ions to hydroxyl radicals. The produced hydroxyl radicals are a strong oxidation agent, and can oxidate organic matter to carbon dioxide and water. During the research, new titanium oxide catalysator surface coatings were developed. This coating technology allows the production of very porous titan oxide layer on temperature stable carrier materials. The porosity allows the naphthalene to get easily absorbed by the surface coating, what accelerates the reaction of the heterogeneous photocatalysis. The photocatalytic reaction is induced by high power and high efficient UV-A (ultra violet light) Leds with a wavelength of 365nm. Various tests in emission chambers and on the reformer itself show that a reduction of naphthalene in important concentrations between 2 and 250 µg/m³ is possible. The disintegration rate was at least 80%. To reduce the concentration of naphthalene from 30 µg/m³ to a level below 5 µg/m³ in a usual 50 ² classroom, an energy of 6 kWh is needed. The benefits of the photocatalytic indoor air treatment are that every organic compound in the air can be disintegrated and reduced. The use of new photocatalytic materials in combination with highly efficient UV leds make a safe and energy efficient reduction of organic compounds in indoor air possible. At the moment the air cleaning systems take the step from prototype stage into the usage in real buildings.Keywords: naphthalene, titandioxide, indoor air, photocatalysis
Procedia PDF Downloads 1441821 Devotional Informant and Diagenetic Alterations, Influences of Facies and Fine Kaolinite Formation Migration on Sandstone’ Reservoir Quality, Sarir Formation, Sirt
Authors: Faraj M. Elkhatri, Hana Ellafi
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In recent years, there has been a growing recognition of the potential of marine-based functional foods and combination therapies in promoting a healthy lifestyle and exploring their effectiveness in preventing or treating diseases. The combination of marine bioactive compounds or extracts offers synergistic or enhancement effects through various mechanisms, including multi-target actions, improved bioavailability, enhanced bioactivity, and mitigation of potential adverse effects. Both the green-lipped mussel (GLM) and fucoidan derived from brown seaweed are rich in bioactivities. These two, mussel and fucoidan, have not been previously formulated together. This study aims to combine GLM oil from Perna canaliculus with low molecular weight fucoidan (LMWF) extracted from Undaria pinnatifida to investigate the unique mixture’s anti-inflammatory and antioxidant properties. The cytotoxicity of individual compounds and combinations was assessed using the MTT assay in (THP-1 and RAW264.7) cell lines. The anti-inflammatory activity of mussel-fucoidan was evaluated by treating LPS-stimulated human monocyte and macrophage (THP1-1) cells. Subsequently, the inflammatory cytokines released into the supernatant of these cell lines were quantified via ELISA. Antioxidant activity was determined by using the free radical scavenging assay (DPPH). DPPH assay demonstrated that the radical scavenging activity of the combinations, particularly at concentrations exceeding 1 mg/ml, showed a significantly higher percentage of inhibition when compared to the individual component. This suggests an enhancement effect when the two compounds are combined, leading to increased antioxidant activity. In terms of immunomodulatory activity, the individual compounds exhibited distinct behaviors. GLM oil displayed a higher ability to suppress the cytokine TNF- compared to LMWF. Interestingly, the LMWF fraction, when used individually, did not demonstrate TNF- suppression. However, when combined with GLM, the TNF- suppression (anti-inflammatory) activity of the combination was better than GLM or LWMF alone. This observation underscores the potential for enhancement interactions between the two components in terms of anti-inflammatory properties. This study revealed that each individual compound, LMWF, and GLM, possesses unique and notable bioactivity. The combination of these two individual compounds results in an enhancement effect, where the bioactivity of each is enhanced, creating a superior combination. This suggests that the combination of LMWF and GLM has the potential to offer a more potent and multifaceted therapeutic effect, particularly in the context of antioxidant and anti-inflammatory activities. These findings hold promise for the development of novel therapeutic interventions or supplements that harness the enhancement effects.Keywords: formation damage, porosity loses, pore throat, quartz cement
Procedia PDF Downloads 581820 Identification of Analogues to EGCG for the Inhibition of HPV E7: A Fundamental Insights through Structural Dynamics Study
Authors: Murali Aarthy, Sanjeev Kumar Singh
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High risk human papillomaviruses are highly associated with the carcinoma of the cervix and the other genital tumors. Cervical cancer develops through the multistep process in which increasingly severe premalignant dysplastic lesions called cervical intraepithelial neoplastic progress to invasive cancer. The oncoprotein E7 of human papillomavirus expressed in the lower epithelial layers drives the cells into S-phase creating an environment conducive for viral genome replication and cell proliferation. The replication of the virus occurs in the terminally differentiating epithelium and requires the activation of cellular DNA replication proteins. To date, no suitable drug molecule is available to treat HPV infection whereas identification of potential drug targets and development of novel anti-HPV chemotherapies with unique mode of actions are expected. Hence, our present study aimed to identify the potential inhibitors analogous to EGCG, a green tea molecule which is considered to be safe to use for mammalian systems. A 3D similarity search on the natural small molecule library from natural product database using EGCG identified 11 potential hits based on their similarity score. The structure based docking strategies were implemented in the potential hits and the key interacting residues of protein with compounds were identified through simulation studies and binding free energy calculations. The conformational changes between the apoprotein and the complex were analyzed with the simulation and the results demonstrated that the dynamical and structural effects observed in the protein were induced by the compounds and indicated the dominance to the oncoprotein. Overall, our study provides the basis for the structural insights of the identified potential hits and EGCG and hence, the analogous compounds identified can be potent inhibitors against the HPV 16 E7 oncoprotein.Keywords: EGCG, oncoprotein, molecular dynamics simulation, analogues
Procedia PDF Downloads 1271819 Curcumin and Its Analogues: Potent Natural Antibacterial Compounds against Staphylococcus aureus
Authors: Prince Kumar, Shamseer Kulangara Kandi, Diwan S. Rawat, Kasturi Mukhopadhyay
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Staphylococcus aureus is the most pathogenic of all staphylococci, a major cause of nosocomial infections, and known for acquiring resistance towards various commonly used antibiotics. Due to the widespread use of synthetic drugs, clinicians are now facing a serious threat in healthcare. The increasing resistance in staphylococci has created a need for alternatives to these synthetic drugs. One of the alternatives is a natural plant-based medicine for both disease prevention as well as the treatment of chronic diseases. Among such natural compounds, curcumin is one of the most studied molecules and has been an integral part of traditional medicines and Ayurveda from ancient times. It is a natural polyphenolic compound with diverse pharmacological effects, including anti-inflammatory, antioxidant, anti-cancerous and antibacterial activities. In spite of its efficacy and potential, curcumin has not been approved as a therapeutic agent yet, because of its low solubility, low bioavailability, and rapid metabolism in vivo. The presence of central β-diketone moiety in curcumin is responsible for its rapid metabolism. To overcome this, in the present study, curcuminoids were designed by modifying the central β-diketone moiety of curcumin into mono carbonyl moiety and their antibacterial potency against S. aureus ATCC 29213 was determined. Further, the mode of action and hemolytic activity of the most potent curcuminoids were studied. Minimum inhibitory concentration (MIC) and in vitro killing kinetics were used to study the antibacterial activity of the designed curcuminoids. For hemolytic assay, mouse Red blood cells were incubated with curcuminoids and hemoglobin release was measured spectrophotometrically. The mode of action of curcuminoids was analysed by membrane depolarization assay using membrane potential sensitive dye 3,3’-dipropylthiacarbocyanine iodide (DiSC3(5)) through spectrofluorimetry and membrane permeabilization assay using calcein-AM through flow cytometry. Antibacterial screening of the designed library (61 curcuminoids) revealed excellent in vitro potency of six compounds against S. aureus (MIC 8 to 32 µg/ml). Moreover, these six compounds were found to be non-hemolytic up to 225 µg/ml that is much higher than their corresponding MIC values. The in vitro killing kinetics data showed five of these lead compounds to be bactericidal causing >3 log reduction in the viable cell count within 4 hrs at 5 × MIC while the sixth compound was found to be bacteriostatic. Depolarization assay revealed that all the six curcuminoids caused depolarization in their corresponding MIC range. Further, the membrane permeabilization assay showed that all the six curcuminoids caused permeabilization at 5 × MIC in 2 hrs. This membrane depolarization and permeabilization caused by curcuminoids found to be in correlation with their corresponding killing efficacy. Both these assays point out that membrane perturbations might be a primary mode of action for these curcuminoids. Overall, the present study leads us six water soluble, non-hemolytic, membrane-active curcuminoids and provided an impetus for further research on therapeutic use of these lead curcuminoids against S. aureus.Keywords: antibacterial, curcumin, minimum inhibitory concentration , Staphylococcus aureus
Procedia PDF Downloads 1701818 Chemical Profiling of Farsetia Aegyptia Turra and Farsetia Longisiliqua Decne. and Their Chemosystematic Significance
Authors: Mona M. Marzouk, Ahmed Elkhateeb, Mona Elshabrawy, Mai M. Farid, Salwa A. Kawashty, EL-Sayed S. Abdel-Hameed, Sameh R. Hussein
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The genus Farsetia Turra belongs to the family Brassicaceae and has approximately 30 accepted species distributed worldwide. Amongst them, Farsetia aegyptia Turra and Farsetia longisiliqua Decne. are two common species characteristic to the Egyptian flora. The present study considers the first characterization of the chemical constituents of F. longisiliqua, aiming to compare with those identified from the medicinal species (F. aegyptia). Additionally, the chemosystematic relationships between the two studied species were evaluated and highlight the medicinal importance for F. longisiliqua. The chemical profiling of their aqueous methanol extracts were carried out using the LC-ESI-MS technique and afforded 54 compounds belonging to different chemical groups. Flavonoids are the major constituents and are represented by 32 compounds (two C-glycosyl flavone, four flavones, and 26 flavonols). Their structural variations and common constituents confirmed the chemosystematic significance of the two species. Moreover, the flavonoid profiles showed major common constituents between the two investigated species, which predicted the medicinal importance of F. longisiliqua.Keywords: brassicaceae, chemosystematics, farsetia, flavonoids, glucosinolates, LC-ESI-MS
Procedia PDF Downloads 2091817 Cytotoxic Metabolites from Tagetes minuta L. Growing in Saudi Arabia
Authors: Ali A. A. Alqarni, Gamal A. Mohamed, Hossam M. Abdallah, Sabrin R. M. Ibrahim
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Phytochemical investigation of the methanolic extract of aerial parts of Tagetes minuta L. (Family: Asteraceae) using different chromatographic techniques led to the isolation of five compounds; ecliptal (1), scopoletin (2), P-hydroxy benzoic acid (3), patuletin (4), and patuletin-7-O-β-D-glucopyranoside (5) (Figure 1). Their structures were established based on physical, chemical, and spectral data [Ultraviolet (UV), Proton ¹H, Carbon thirteen ¹³C, and Heteronuclear Multiple Bond Correlation (HMBC) NMR], as well as Electrospray Ionization Mass Spectroscopy (ESIMS) and comparison with literature data. Their cytotoxic activity was assessed towards human liver hepatocellular carcinoma (HepG2), human breast cancer (MCF-7), and human colon cancer (HCT116) cancer cell lines using sulphorhodamine B (SRB) assay. It is noteworthy that compound 1 demonstrated a significant cytotoxic potential towards HepG2, MCF7, and HCT116 cells with IC₅₀s ranging from 2.74 to 7.01 μM, compared to doxorubicin (IC₅₀ 0.18, 0.60, and 0.20 μM, respectively), whereas compounds 2, 4, and 5 showed moderate cytotoxic potential with IC50s ranging from 11.71 to 35.64 μM. However, 3 was inactive up to a concentration of 100 μM towards the three tested cancer cell lines.Keywords: Asteraceae, cytotoxicity, metabolites, Tagetes minuta
Procedia PDF Downloads 1641816 The Effects of Phenolic Compounds in Brown Iranian Propolis Extracts on Ruminal Nitrogen Ammonia Concentration in in Vitro
Authors: Alireza Vakili, Shahab Ehtesham, Mohsen Danesh Mesgaran, Mahdi Paktinat
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The goal of this study is to determine the chemical compounds of brown Iranian propolis(BIP) extracts and to show flavonoids and phenol effects on nitrogen ammonia (NH3-N) in in vitro. Experimental samples were including two diets with different concentrate: forage ratio (80:20 and 60:40) with eight treatments (1:Control diet 60:40 without BIP,2: 60:40 diet with 25% BIP, 3:60:40 diet with 50% BIP, 4: 60:40 diet with 75% BIP,5: Control diet 80:20 without BIP,6: 80:20 diet with 25% BIP,7: 80:20 diet with 50% BIP and 8: 80:20 diet with 75% BIP) and eight repeats. The trial was analyzed considering a completely randomized design by the GLM procedure of SAS 9.1. Means among treatment were compared by Tukey test. The results of this study showed that in food with 80:20 (concentrate: forage), adding BIP 25% did not statistically change NH3-N (p > 0.05) compared to the control treatment but there was a significant difference (p < 0.05) between the effect of BIP 50% on NH3-N compared to the BIP 25% and the control. In diet with 60:40 (concentrate: forage), there was no significant difference between the effect of BIP 25% on NH3-N and the control, nor was there a significant difference between the effect of BIP 50% and 75%, while a significant difference (p < 0.05) between BIP 50% and 75% and the rest was observed. The propolis extract makes nitrogen ammonia decrease. This may help the nitrogen retain longer in ruminants.Keywords: brown Iranian propolis, in vitro, nitrogen ammonia, ruminant
Procedia PDF Downloads 4881815 Assessment of Bisphenol A and 17 α-Ethinyl Estradiol Bioavailability in Soils Treated with Biosolids
Authors: I. Ahumada, L. Ascar, C. Pedraza, J. Montecino
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It has been found that the addition of biosolids to soil is beneficial to soil health, enriching soil with essential nutrient elements. Although this sludge has properties that allow for the improvement of the physical features and productivity of agricultural and forest soils and the recovery of degraded soils, they also contain trace elements, organic trace and pathogens that can cause damage to the environment. The application of these biosolids to land without the total reclamation and the treated wastewater can transfer these compounds into terrestrial and aquatic environments, giving rise to potential accumulation in plants. The general aim of this study was to evaluate the bioavailability of bisphenol A (BPA), and 17 α-ethynyl estradiol (EE2) in a soil-biosolid system using wheat (Triticum aestivum) plant assays and a predictive extraction method using a solution of hydroxypropyl-β-cyclodextrin (HPCD) to determine if it is a reliable surrogate for this bioassay. Two soils were obtained from the central region of Chile (Lo Prado and Chicauma). Biosolids were obtained from a regional wastewater treatment plant. The soils were amended with biosolids at 90 Mg ha-1. Soils treated with biosolids, spiked with 10 mgkg-1 of the EE2 and 15 mgkg-1 and 30 mgkg-1of BPA were also included. The BPA, and EE2 concentration were determined in biosolids, soils and plant samples through ultrasound assisted extraction, solid phase extraction (SPE) and gas chromatography coupled to mass spectrometry determination (GC/MS). The bioavailable fraction found of each one of soils cultivated with wheat plants was compared with results obtained through a cyclodextrin biosimulator method. The total concentration found in biosolid from a treatment plant was 0.150 ± 0.064 mgkg-1 and 12.8±2.9 mgkg-1 of EE2 and BPA respectively. BPA and EE2 bioavailability is affected by the organic matter content and the physical and chemical properties of the soil. The bioavailability response of both compounds in the two soils varied with the EE2 and BPA concentration. It was observed in the case of EE2, the bioavailability in wheat plant crops contained higher concentrations in the roots than in the shoots. The concentration of EE2 increased with increasing biosolids rate. On the other hand, for BPA, a higher concentration was found in the shoot than the roots of the plants. The predictive capability the HPCD extraction was assessed using a simple linear correlation test, for both compounds in wheat plants. The correlation coefficients for the EE2 obtained from the HPCD extraction with those obtained from the wheat plants were r= 0.99 and p-value ≤ 0.05. On the other hand, in the case of BPA a correlation was not found. Therefore, the methodology was validated with respect to wheat plants bioassays, only in the EE2 case. Acknowledgments: The authors thank FONDECYT 1150502.Keywords: emerging compounds, bioavailability, biosolids, endocrine disruptors
Procedia PDF Downloads 1471814 In Silico Modeling of Drugs Milk/Plasma Ratio in Human Breast Milk Using Structures Descriptors
Authors: Navid Kaboudi, Ali Shayanfar
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Introduction: Feeding infants with safe milk from the beginning of their life is an important issue. Drugs which are used by mothers can affect the composition of milk in a way that is not only unsuitable, but also toxic for infants. Consuming permeable drugs during that sensitive period by mother could lead to serious side effects to the infant. Due to the ethical restrictions of drug testing on humans, especially women, during their lactation period, computational approaches based on structural parameters could be useful. The aim of this study is to develop mechanistic models to predict the M/P ratio of drugs during breastfeeding period based on their structural descriptors. Methods: Two hundred and nine different chemicals with their M/P ratio were used in this study. All drugs were categorized into two groups based on their M/P value as Malone classification: 1: Drugs with M/P>1, which are considered as high risk 2: Drugs with M/P>1, which are considered as low risk Thirty eight chemical descriptors were calculated by ACD/labs 6.00 and Data warrior software in order to assess the penetration during breastfeeding period. Later on, four specific models based on the number of hydrogen bond acceptors, polar surface area, total surface area, and number of acidic oxygen were established for the prediction. The mentioned descriptors can predict the penetration with an acceptable accuracy. For the remaining compounds (N= 147, 158, 160, and 174 for models 1 to 4, respectively) of each model binary regression with SPSS 21 was done in order to give us a model to predict the penetration ratio of compounds. Only structural descriptors with p-value<0.1 remained in the final model. Results and discussion: Four different models based on the number of hydrogen bond acceptors, polar surface area, and total surface area were obtained in order to predict the penetration of drugs into human milk during breastfeeding period About 3-4% of milk consists of lipids, and the amount of lipid after parturition increases. Lipid soluble drugs diffuse alongside with fats from plasma to mammary glands. lipophilicity plays a vital role in predicting the penetration class of drugs during lactation period. It was shown in the logistic regression models that compounds with number of hydrogen bond acceptors, PSA and TSA above 5, 90 and 25 respectively, are less permeable to milk because they are less soluble in the amount of fats in milk. The pH of milk is acidic and due to that, basic compounds tend to be concentrated in milk than plasma while acidic compounds may consist lower concentrations in milk than plasma. Conclusion: In this study, we developed four regression-based models to predict the penetration class of drugs during the lactation period. The obtained models can lead to a higher speed in drug development process, saving energy, and costs. Milk/plasma ratio assessment of drugs requires multiple steps of animal testing, which has its own ethical issues. QSAR modeling could help scientist to reduce the amount of animal testing, and our models are also eligible to do that.Keywords: logistic regression, breastfeeding, descriptors, penetration
Procedia PDF Downloads 721813 Selected Ethnomedicinal Plants of Northern Surigao Del Sur: Their Antioxidant Activities in Terms of Total Phenolics, ABTS Radical Cation Decolorization Power, and Ferric Reducing Ability
Authors: Gemma A. Gruyal
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Plants can contain a wide variety of substances with antioxidative properties which are associated to important health benefits. These positive health effects are of great importance at a time when the environment is laden with many toxic substances. Five selected herbal plants namely, Mimosa pudica, Phyllanthus niruri, Ceiba pentandra, Eleusine polydactyla and Trema amboinensis, were chosen for the experiment to investigate their total phenolics content and antioxidant activities using ABTS radical cation decolorization power, and ferric reducing antioxidant power. The total phenolic content of each herbal plants ranges from 0.84 to 42.59 mg gallic acid equivalent/g. The antioxidant activity in the ABTS radical cation decolorization power varies from 0.005 to 0.362 mg trolox equivalent/g and the FRAP ranges from 0.30 to 28.42 mg gallic acid equivalent/g. Among the five medicinal plants, Mimosa pudica has been an excellent performer in terms of the 3 parameters measured; it is followed by Phyllanthus niruri. The five herbal plants do not have equivalent antioxidant power. The relative high values for M. pudica and P. niruri supports the medicinal value of both plants. The total phenolics, ABTS and FRAP correlate strongly with one another.Keywords: ABTS, FRAP, Leaf extracts, phenol
Procedia PDF Downloads 4331812 Triazenes: Unearthing Their Hidden Arsenal Against Malaria and Microbial Menace
Authors: Frans J. Smit, Wisdom A. Munzeiwa, Hermanus C. M. Vosloo, Lyn-Marie Birkholtz, Richard K. Haynes
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Malaria and antimicrobial infections remain significant global health concerns, necessitating the continuous search for novel therapeutic approaches. This abstract presents an overview of the potential use of triazenes as effective agents against malaria and various antimicrobial pathogens. Triazenes are a class of compounds characterized by a linear arrangement of three nitrogen atoms, rendering them structurally distinct from their cyclic counterparts. This study investigates the efficacy of triazenes against malaria and explores their antimicrobial activity. Preliminary results revealed significant antimalarial activity of the triazenes, as evidenced by in vitro screening against P. falciparum, the causative agent of malaria. Furthermore, the compounds exhibited broad-spectrum antimicrobial activity, indicating their potential as effective antimicrobial agents. These compounds have shown inhibitory effects on various essential enzymes and processes involved in parasite survival, replication, and transmission. The mechanism of action of triazenes against malaria involves interactions with critical molecular targets, such as enzymes involved in the parasite's metabolic pathways and proteins responsible for host cell invasion. The antimicrobial activity of the triazenes against bacteria and fungi was investigated through disc diffusion screening. The antimicrobial efficacy of triazenes has been observed against both Gram-positive and Gram-negative bacteria, as well as multidrug-resistant strains, making them potential candidates for combating drug-resistant infections. Furthermore, triazenes possess favourable physicochemical properties, such as good stability, solubility, and low toxicity, which are essential for drug development. The structural versatility of triazenes allows for the modification of their chemical composition to enhance their potency, selectivity, and pharmacokinetic properties. These modifications can be tailored to target specific pathogens, increasing the potential for personalized treatment strategies. In conclusion, this study highlights the potential of triazenes as promising candidates for the development of novel antimalarial and antimicrobial therapeutics. Further investigations are necessary to determine the structure-activity relationships and optimize the pharmacological properties of these compounds. The results warrant additional research, including MIC studies, to further explore the antimicrobial activity of the triazenes. Ultimately, these findings contribute to the development of more effective strategies for combating malaria and microbial infections.Keywords: malaria, anti-microbials, triazene, resistance
Procedia PDF Downloads 1041811 Development of Probiotic Cereal Beverage Using Yeast and Lactic Acid Bacteria Fermentation
Authors: Tuaumelsan Shumye Gebre, Shimelis Admassu Emire, Simon Okomo Aloo, Ramachandran Chelliah, Deog-Hwan Oh
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This study investigates the fermentation of cereal substrates, based on the Ethiopian traditional beverage borde, using probiotic strains of Pediococcus acidilactici WS07 and Saccharomyces cerevisiae AM18 used singly and in co-culture. The pH and titratable acidity, microbial growth dynamics, fermentable sugars profile, volatile organic compounds, total flavonoid content, total phenolic content, antioxidant activity, pancreatic lipase, and α-glucosidase inhibition were analyzed. The viability of every tested strain remained higher than 7 log CFU/mL, satisfying the requirements suggested for probiotic food items. The formation of organic acids is what caused the pH to decrease from roughly 6.6 to 3.8, yet this had no effect on the viability of the microorganisms. The fermentation process, involving P. acidilactici WS07 and S. cerevisiae AM18, led to the utilization of initial carbohydrates, production of organic acids, and generation of volatile compounds that enhance flavor and aroma. Ethanol and glycerol concentrations increased during fermentation, particularly in co-culture assays, contributing to the sensory qualities and stability of the beverages. The primary organic acids generated during fermentation were lactic and acetic acids. A total of 22 volatile substances, such as acids, alcohols, aldehydes, esters, ketones, and other substances, were found. Furthermore, the study demonstrates that fermentation of maize and sorghum with P. acidilactici WS07 and S. cerevisiae AM18 enhances the antioxidant activity and inhibition of pancreatic lipase and α-glucosidase, suggesting potential benefits in managing obesity and diabetes. Therefore, co-cultivating S. cerevisiae AM18 and P. acidilactici WS07 in cereal fermentation led to the successful production of probiotic drinks.Keywords: probiotic beverage, Pediococcus acidilactici, Saccharomyces cerevisiae, volatile compounds
Procedia PDF Downloads 391810 Interaction of Hemoglobin with Sodium Dodecyl Sulfate and Ascorbic Acid: A Chemometrics Study
Authors: Radnoosh Mirzajani, Ebrahim Mirzajani, Heshmatollah Ebrahimi-Najafabadi
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Introduction: Hydrogen peroxide can be produced over the interaction of sodium dodecyl sulfate (SDS) with hemoglobin which would facilitate the oxidation process of hemoglobin. The presence of ascorbic acid (AA) can hinder the extreme oxidation of oxyhemoglobin. Methods: Hemoglobin was purified from blood samples according to the method of Williams. UV-V is spectra of Hb solutions mixed with different concentrations of SDS and AA were recorded. Chemical components, concentration, and spectral profiles were estimated using MCR-ALS techniques. Results: The intensity of soret band of OxyHb decreased due to the interaction of Hb with SDS. Furthermore, changes were also observed for peaks at 575 and 540. Subspace plots confirm the presence of OxyHb, MetHb, and Hemichrom in each mixture. The resolved concentration profiles using MCR-ALS reveal that the mole fraction of OxyHb increased upon the presence of AA up to a concentration level of 3 mM. The higher concentration of AA shows a reverse effect. AA demonstrated a dual effect on the interaction of hemoglobin with SDS. AA disturbs the interaction of SDS and hemoglobin and exhibits an antioxidative effect. However, it caused a tiny decrease in the mole fraction of OxyHb. Conclusions: H2O2 produces upon the interaction of OxyHb with SDS. Oxidation of OxyHb facilitates due to overproduction of H2O2. Ascorbic acid interacts with H2O2 to form dehydroascorbic acid. Furthermore, the available free SDS was reduced because the Gibbs free energy for micelle production of SDS became more negative in the presence of AA.Keywords: hemoglobin, ascorbic acid, sodium dodecyl sulfate, multivariate curve resolution, antioxidant
Procedia PDF Downloads 1201809 A Fundamental Study on the Molecular Chemistry of Agarwood Water Mixture
Authors: Fatmawati Adam, Saidatul Syaima Mat Tari, Saiful Nizam Tajuddin, Nurul Salwa Azliyana Hamzah
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Essential oil of agarwood or known as Gaharu in Malay is highly prized for its value as luxury fragrances and incense. However, the complexities of the chemical composition of agarwood itself is the main challenge for establishment of an effective recovery method, which is able to ensure uniform qualities and standard for each batch of essential oil production. Agarwood markers are actually a blend of volatile and non-volatile compounds. While volatile molecules could be easily retrieved by the present distillation technique, the high solubility properties are the limiting factor for the latter. With regard to this, an elementary chemistry resolution study had been performed on commercial agarwood essential oil-water mixture, by the application of preparative HPLC and FTIR. Interpretation of the results leads to the theoretical postulation that, agarwood water mixture comprise of agarospirol, jinkohol, jinkoh eremol and khusenol. This study provides a pinpoint on the chemical characteristics of water soluble (non-volatile) agarwood compounds, therefore, will be an insight for researchers to develop a more strategic technique for their extraction. Thereafter the optimum quality of this essential oil could be controlled in a more improved way.Keywords: Agarwood, Aquillaria Malaccensis, agarospirol, jinkohol, jinkoh eremol, khusenol
Procedia PDF Downloads 5511808 Antioxidant Properties of Rice Bran Oil Using Various Heat Treatments
Authors: Supakan Rattanakon, Jakkrapan Boonpimon, Akkaragiat Bhuangsaeng, Aphiwat Ratriphruek
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Rice bran oil (RBO) has been found to lower the level of serum cholesterol, has antioxidant and anti-carcinogenic property, and attenuate allergic inflammation. These properties of RBO are due to antioxidant compositions, especially, phenolic compounds. The higher amount of these active compounds in RBO, the greater value of RBO is. Thermal process of rice bran before solvent RBO extraction has been found to have a higher phenolic contents. Therefore, the purpose of this study is to using different heating methods on rice bran before the solvent extraction. Then, % yield of RBO, total phenolic content (TPC), and antioxidant property of two white Thai rice; KDML105 and RD6 were determined. The Folin-Ciocalteu colorimetric assay was used to determine TPC and scavenging of free radicals (DPPH) was used to determine antioxidant property expressed as EC50. The result showed that thermal process did not increase % yield of RBO but increase the TPC with 1.41 mg gallic acid equivalent (GAEmg-1). The highest TPC was found in KDML105 by using sonicator. The highest antioxidant activity was found in RD6 using autoclave. The EC50 of RBO was 0.04 mg/mL. Further study should be performed on different pretreatments to increase the TPC and antioxidant property.Keywords: antioxidant, rice bran oil, total phenol content, white rice
Procedia PDF Downloads 2531807 The Antioxidant Activity of Grape Chkhaveri and Its Wine Cultivated in West Georgia (Adjaria)
Authors: Maia Kharadze, Indira Djaparidze, Maia Vanidze, Aleko Kalandia
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Modern scientific world studies chemical components and antioxidant activity of different kinds of vines according to their breed purity and location. To our knowledge, this kind of research has not been conducted in Georgia yet. The object of our research was to study Chkhaveri vine, which is included in the oldest varieties of the Black Sea basin vine. We have studied different-altitude Chkaveri grapes, juice, and wine (half dry rose-colored produced with European technologies) and their technical markers, qualitative and quantitive composition of their biologically active compounds and their antioxidant activity. We were determining the amount of phenols using Folin-Ciocalteu reagent, Flavonoids, Catechins and Anthocyanins using Spectral method and antioxidant activity using DPPH method. Several compounds were identified using –HPLC-UV-Vis, UPLC-MS methods. Six samples of Chkhaveri species– 5, 300, 360, 380, 400, 780 meter altitudes were taken and analyzed. The sample taken from 360 m altitude is distinguished by its cluster mass (383.6 grams) and high amount of sugar (20.1%). The sample taken from the five-meter altitude is distinguished by having high acidity (0.95%). Unlike other grapes varieties, such concentration of sugar and relatively low levels of citric acid ultimately leads to Chkhaveri wine individuality. Biologically active compounds of Chkhaveri were researched in 2014, 2015, 2016. The amount of total phenols in samples of 2016 fruit varies from 976.7 to 1767.0 mg/kg. Amount of Anthocians is 721.2-1630.2 mg/kg, and the amount of Flavanoids varies from 300.6 to 825.5 mg/kg. Relatively high amount of anthocyanins was found in the Chkhaveri at 780-meter altitude - 1630.2 mg/kg. Accordingly, the amount of Phenols and Flavanoids is high- 1767.9 mg/kg and 825.5 mg/kg. These characteristics are low in samples gathered from 5 meters above sea level, Anthocyanins-721.2 mg/ kg, total Phenols-976.7 mg/ kg, and Flavanoids-300.6 mg/kg. The highest amount of bioactive compounds can be found in the Chkhaveri samples of high altitudes because with rising height environment becomes harsh, the plant has to develop a better immune system using Phenolic compounds. The technology that is used for the production of wine also plays a huge role in the composition of the final product. Optimal techniques of maceration and ageing were worked out. While squeezing Chkhaveri, there are no anthocyanins in the juice. However, the amount of Anthocyanins rises during maceration. After the fermentation of dregs, the amount of anthocyanins is 55%, 521.3 gm/l, total Phenols 80% 1057.7 mg/l and Flavanoids 23.5 mg/l. Antioxidant activity of samples was also determined using the effect of 50% inhibition of the samples. All samples have high antioxidant activity. For instance, in samples at 780 meters above the sea-level antioxidant activity was 53.5%. It is relatively high compared to the sample at 5 m above sea-level with the antioxidant activity of 30.5%. Thus, there is a correlation between the amount Anthocyanins and antioxidant activity. The designated project has been fulfilled by financial support of the Georgia National Science Foundation (Grant AP/96/13, Grant 216816), Any idea in this publication is possessed by the author and may not represent the opinion of the Georgia National Science Foundation.Keywords: antioxidants, bioactive content, wine, chkhaveri
Procedia PDF Downloads 2301806 Identification of Potent and Selective SIRT7 Anti-Cancer Inhibitor via Structure-Based Virtual Screening and Molecular Dynamics Simulation
Authors: Md. Fazlul Karim, Ashik Sharfaraz, Aysha Ferdoushi
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Background: Computational medicinal chemistry approaches are used for designing and identifying new drug-like molecules, predicting properties and pharmacological activities, and optimizing lead compounds in drug development. SIRT7, a nicotinamide adenine dinucleotide (NAD+)-dependent deacylase which regulates aging, is an emerging target for cancer therapy with mounting evidence that SIRT7 downregulation plays important roles in reversing cancer phenotypes and suppressing tumor growth. Activation or altered expression of SIRT7 is associated with the progression and invasion of various cancers, including liver, breast, gastric, prostate, and non-small cell lung cancer. Objectives: The goal of this work was to identify potent and selective bioactive candidate inhibitors of SIRT7 by in silico screening of small molecule compounds obtained from Nigella sativa (N. sativa). Methods: SIRT7 structure was retrieved from The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), and its active site was identified using CASTp and metaPocket. Molecular docking simulation was performed with PyRx 0.8 virtual screening software. Drug-likeness properties were tested using SwissADME and pkCSM. In silico toxicity was evaluated by Osiris Property Explorer. Bioactivity was predicted by Molinspiration software. Antitumor activity was screened for Prediction of Activity Spectra for Substances (PASS) using Way2Drug web server. Molecular dynamics (MD) simulation was carried out by Desmond v3.6 package. Results: A total of 159 bioactive compounds from the N. Sativa were screened against the SIRT7 enzyme. Five bioactive compounds: chrysin (CID:5281607), pinocembrin (CID:68071), nigellidine (CID:136828302), nigellicine (CID:11402337), and epicatechin (CID:72276) were identified as potent SIRT7 anti-cancer candidates after docking score evaluation and applying Lipinski's Rule of Five. Finally, MD simulation identified Chrysin as the top SIRT7 anti-cancer candidate molecule. Conclusion: Chrysin, which shows a potential inhibitory effect against SIRT7, can act as a possible anti-cancer drug candidate. This inhibitor warrants further evaluation to check its pharmacokinetics and pharmacodynamics properties both in vitro and in vivo.Keywords: SIRT7, antitumor, molecular docking, molecular dynamics simulation
Procedia PDF Downloads 801805 Synthesis, Structural Characterization and Biological Activity of Bis{(E)-1-[(2,4,6-Tribromophenyl) Diazenyl] Naphthalen-2-Olato} Copper (II) Dimethyl Sulfoxide Monosolvate
Authors: Hassiba Bougueria, Nesrine Benarous, Souheyla Chetioui
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Azo dyes are one of the most widely used compounds in organic chemistry, primarily due to their relatively simple preparation methods. They have therefore been widely used, in particular as colorants for textiles, printing inks, cosmetics, and food additives. In addition to their use as dyes, azo compounds have attracted much attention from chemists as their potential applications are important in coordination chemistry, metal-organic frameworks (MOF) structures, COF (covalent-organic frameworks), and catalysis. Moreover, they have found many applications in different fields, such as nonlinear optics, optical storage, photoluminescence, and magnetism. The compound bis{(E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II) dimethyl sulfoxide monosolvate, the CuII atom is tetracoordinate with a square-planar geometry, surrounded by two bidentate (E)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalene-2-olate ligands via two N atoms and two O atoms. The O-Cu-O angles and N-Cu-N are of the order of 177.90(16)° and 177.8(2)°, respectively. The distances Cu-O and Cu- N are 1.892(4) Å and 1.976(4) Å, respectively. The cohesion of the crystal is ensured by hydrogen bonds of the C—H…O type and by π=π staking interactions [centroid–centroid distance = 3.679(4)Å]. The DMSO solvent molecule is disordered at two positions with occupancy rates of 0.70 and 0.30.Keywords: azo dyes, DRX, structural characterization, biological activity
Procedia PDF Downloads 871804 Evaluation of Essential Oils Toxicity on Resistant and Susceptible House Fly Strains
Authors: Xing Ping Hu, Yuexun Tian, Jerome Hogsette
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Housefly, Musca domestica L., is a serious urban nuisance and public health/food safety concern. This study evaluated the topical toxicity of 17 essential oil components and 3 plant essential oils against permethrin-resistant adult females and insecticide-susceptible house fly strains. Results show that thymol had the lowest LD₅₀ values against permethrin-resistant strain (43.77 and 41.10 ug per fly) and permethrin-susceptible strain (35.19 and 29.16 ug per fly) at both 24- and 48-hours post treatments; (+)-Pulegone had the lowest LD₉₅ values against the permethrin-resistant strain (0.15 and 0.10 mg per fly) at 24- and 48-hours post treatments, whereas plant thyme oil had the lowest LD₉₅ value of 0.17 mg per fly at post-24h and post-48h against the permethrin-susceptible strain. Additionally, the LD₅₀s was slightly but not significantly negatively correlated with the boiling points of the compounds tested; but showed no correlation with the density and LogP. These results indicate that specific essential oils and compounds have topical insecticidal properties against house flies with low dose. They may have the potential for development as botanical insecticides.Keywords: urban pest, public health, pest management, botanical chemical
Procedia PDF Downloads 3881803 Antioxidant Properties of Snack Crackers Incorporated with Mahaleb (Prunus mahaleb L.) Powder
Authors: Elif Yildiz, Gizem Gungor, Hatice Yilmaz, Duygu Gocmen
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Nowadays, consumer demand has been increasing for the healthy and functional food. In this context, some natural products rich in phenolic compounds are also added to cereal based food for health benefits. Natural phenolic compounds have many beneficial bioactivities such as anti-allergic, antiviral, anti-inflammatory and anti-mutagenic activities. It has been found that various plant species contain natural bioactive phytochemicals with antioxidant function. One of these plant species is mahaleb (Prunus mahaleb L). Mahaleb berries with dark blue or red colours have the highest antioxidant capacities among all common fruits and vegetables. The aim of this study was to determine the possibilities of improving the antioxidant properties of novel snack crackers by supplementing with mahaleb (Prunus mahaleb L) powder. For this purpose mahaleb powder were used to replace wheat flour in the snack cracker formulation at two different levels (5%, and 7.5% w/w). As a result, mahaleb supplementation caused an increase in total phenolic contents and antioxidant activities of crackers. It can be say that mahaleb powder can be used as an alternative functional and nutritional ingredient in bakery products.Keywords: antioxidant activity, cracker, mahaleb (Prunus mahaleb L), phenolic contents
Procedia PDF Downloads 2671802 Walnut (Juglans Regia) Extracts: Investigation of Antioxidant Effect, Total Phenols and Tyrosinase Inhibitory Activity
Authors: N. Saki, S. Nalbantoglu, M. Akin, G. Arabaci
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Walnut has a great range of phenolic profile and it is used in Asia and Africa for treatment of many diseases and cancer. Phenolic compounds play a number of crucial roles in complex metabolism of plants and of also fruit trees. Consumption of certain phenolics in the food is considered beneficial for human nutrition. Phenolic compounds known as anti-radical inactivators with their high antioxidant activities and these activities play an important role in inhibition of multi-metal corrosion. Many common corrosion inhibitors that are still in use today are health hazards. Therefore, there is still an increased attention directed towards the development of environmentally compatible, nonpolluting corrosion inhibitors. The present study reports the total phenols content, antioxidant potentials and tyrosinase inhibitory activity of the walnut (Juglans regia L.) produced in Turkey. The anti-tyrosinase activity was investigated for walnut at 2 h extraction time and all extracts exhibited tyrosinase activity. The results of this study suggested that walnut can be used as an excellent, easily accessible source of natural antioxidant.Keywords: antioxidant activity, Juglans Regia, total phenols, tyrosinase activity
Procedia PDF Downloads 3021801 Spatial Distribution of Ambient BTEX Concentrations at an International Airport in South Africa
Authors: Raeesa Moolla, Ryan S. Johnson
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Air travel, and the use of airports, has experienced proliferative growth in the past few decades, resulting in the concomitant release of air pollutants. Air pollution needs to be monitored because of the known relationship between exposure to air pollutants and increased adverse effects on human health. This study monitored a group of volatile organic compounds (VOCs); specifically BTEX (viz. benzene, toluene, ethyl-benzene and xylenes), as many are detrimental to human health. Through the use of passive sampling methods, the spatial variability of BTEX within an international airport was investigated, in order to determine ‘hotspots’ where occupational exposure to BTEX may be intensified. The passive sampling campaign revealed BTEXtotal concentrations ranged between 12.95–124.04 µg m-3. Furthermore, BTEX concentrations were dispersed heterogeneously within the airport. Due to the slow wind speeds recorded (1.13 m.s-1); the hotspots were located close to their main BTEX sources. The main hotspot was located over the main apron of the airport. Employees working in this area may be chronically exposed to these emissions, which could be potentially detrimental to their health.Keywords: air pollution, air quality, hotspot monitoring, volatile organic compounds
Procedia PDF Downloads 1731800 Antihyperlipidemic Activity of Butea Monosperma in Triton WR 1339 Induced Hyperlipidemic Rats
Authors: A. V. Shrirao, N. I. Kochar, A. V. Chandewar
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The flower extract of Butea monosperma herb has been used traditionally in India for medicinal purposes. The plant has been reported to treat hyperglycemia and associated hyperlipidemia. Hyperlipidemia and oxidative stress are known to accelerate coronary artery disease and progression of atherosclerotic lesions. The present work was undertaken to investigate the possible antihyperlipidemic and antioxidative effect of Butea monosperma flowers on hyperlipidemic rats. Hyperlipidemia was induced in rats by a single intraperitonial (i.p.) injection of Triton WR 1339 (400 mg/kg) and it showed sustained elevated levels of serum cholesterol and triglyceride. Ethanolic extract of Butea monosperma flowers (Et-BM) (250 and 500 mg/kg/day) was administered to normal and hyperlipidemic rats for 14 days. Serum and liver tissue were analyzed at three different time intervals for lipid profile and antioxidants enzymes and the activity were compared to the cholesterol-lowering drug, Atorvastatin (10 mg/kg). Parameters were altered during hyperlipidemia and reverted back to near normal values after Et-BM treatment or standard drug Atorvastatin. Lipid peroxidation decreased whereas the activities of superoxide dismutase, glutathione peroxidase and catalase increased in Et-BM treated rats. Pronounced changes were observed at 500 mg/kg of Et-BM for 2 weeks and it was comparable to the standard drug Atorvastatin. The current study provides strong evidence that Et-BM has a remarkable beneficial effect in treating hyperlipidemia and ROS without any side effects at the dosage and duration studied.Keywords: antioxidant, butea monopserma, hyperlipidemia, triton WR 1339
Procedia PDF Downloads 3181799 Effect of Xenobiotic Bioactive Compounds from Grape Waste on Inflammation and Oxidative Stress in Pigs
Authors: Ionelia Taranu, Gina Cecilia Pistol, Mihai Alexandru Gras, Mihai Laurentiu Palade, Mariana Stancu, Veronica Sanda Chedea
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In the last decade bioactive compounds from grape waste are investigated as new therapeutic agents for the inhibition of carcinogenesis and other diseases. The objective of this study was to characterize several bioactive compounds (polyphenols and polyunsaturated fatty acids) of a dried grape pomace (GP) derived from a Romanian winery and further to evaluate their effect on inflammation and oxidative markers in liver of pig used as animal model. The total polyphenol concentration of pomace was 36.2g gallic acid equiv /100g. The pomace was rich in polyphenols from the flavonoids group, the main class being flavanols (epicatechins, catechin, epigallocatechin, procyanidins) and antocyanins (Malvidin 3-O-glucoside). The highest concentration was recorded for epicatechin (51.96g/100g) and procyanidin dimer (22.79g/100g). A high concentration of total polyunsaturated fatty acids (PUFA) especially ω-6 fatty acids (59.82 g/100g fat) was found in grape pomace. 20 crossbred TOPIG hybrid fattening pigs were randomly assigned (n = 10) to two experimental treatments: a normal diet (control group) and a diet included 5% grape pomace (GP group) for 24 days. The GP diet lowered the gene expression and protein concentration of IL-1β, IL-8, TNF-α and IFN-γ cytokines in liver suggesting an anti-inflammatory effect of GP diet. Concentration of hepatic TBARS also decreased, but the total antioxidant capacity (liver TEAC) and activity and gene expression of antioxidant enzymes (superoxide dismutase, catalase and glutathione peroxidase) did not differ between the GP and control diet. The results showed that GP diet exerted an anti-inflammatory effect, but the 5% dietary inclusion modulated only partially the oxidative stress.Keywords: animal model, inflammation, grape waste, immune organs
Procedia PDF Downloads 3391798 Corrosion Behavior of Different Electroplated Systems Coated With Physical Vapor Deposition
Authors: Jorge Santos, Ana V. Girão, F. J. Oliveira, Alexandre C. Bastos
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Protective or decorative coatings containing hexavalent chromium compounds are still used on metal and plastic parts. These hexavalent chromium compounds represent a risk to living beings and the environment, and, for this reason, there is a great need to investigate alternatives. Physical Vapor Deposition (PVD) is an environmentally friendly process that allows the deposition of wear and corrosion resistant thin films with excellent optical properties. However, PVD thin films are porous and if deposited onto low corrosion resistant substrates, lead to a degradation risk. The corrosion behavior of chromium-free electroplated coating systems finished with magnetron sputtered PVD thin films was investigated in this work. The electroplated systems consisted of distinct nickel layers deposited on top of a copper interlayer on acrylonitrile butadiene styrene (ABS) plates. Electrochemical and corrosion evaluation was conducted by electrochemical impedance spectroscopy and polarization curves on the different electroplated coating systems, with and without PVD thin film on top. The results show that the corrosion resistance is lower for the electroplated coating systems finished with PVD thin film for extended exposure periods when compared to those without the PVD overlay.Keywords: PVD, electroplating, corrosion, thin film
Procedia PDF Downloads 1481797 GGA-PBEsol+TB-MBJ Studies of SrxPb1-xS Ternary Semiconductor Alloys
Authors: Y. Benallou, K. Amara, O. Arbouche
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In this paper, we report a density functional study of the structural, electronic and elastic properties of the ordered phases of SrxPb1-xS ternary semiconductor alloys namely rocksalt compounds: PbS and SrS and the rocksalt-based compounds: SrPb3S4, SrPbS2, and Sr3PbS4. These First-principles calculations have been performed using the full potential linearized augmented plane wave method (FP-LAPW) within the Generalized Gradient Approximation developed by Perdew–Burke–Ernzerhor for solids (PBEsol). The calculated structural parameters like the lattice parameters, the bulk modulus B and their pressure derivative B' are in reasonable agreement with the available experimental and theoretical data. In addition, the elastic properties such as elastic constants (C11, C12, and C44), the shear modulus G, the Young modulus E, the Poisson’s ratio ν and the B/G ratio are also given. For the electronic properties calculations, the exchange and correlation effects were treated by the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential to prevent the shortcoming of the underestimation of the energy gaps in both LDA and GGA approximations. The obtained results are compared to available experimental data and to other theoretical calculations.Keywords: SrxPb1-xS, GGA-PBEsol+TB-MBJ, density functional, Perdew–Burke–Ernzerhor, FP-LAPW
Procedia PDF Downloads 3981796 Genetic Improvement of Centella asiatica (Linn.) Urban. For Therapeutically Active Compounds
Authors: Dalave S. C., S. G. Auti, B. J. Apparao
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Centella asiatica (L) Urban, commonly known as Brahmi and Mandookaparni is a valuable medicinal plant highly valued for its asiaticoside and madecassoside. It is widely used in Ayurveda and Unani systems of medicine. Attempts are made in the present investigation to improve the genotype of Centella plant that can yield higher amount of the therapeutically active compounds viz., asiaticosides and madecassosides, employing techniques of polyploidy breeding. Young developing shoots of Centella were treated with different concentrations of colchicine for varying time intervals. 0.4 % colchicine for 6 hours duration at room temperature was effective in inducing autopolyploidy in this plant. The colchicine treated plants were allowed to reproduce vegetatively for several generations in a polyhouse. The colchicine treated plants showed significant increase in plant size, fresh & dry weights, vigorous growth, broad leaves and double the number of chromosomes. HPTLC analysis of dried leaves of control and polyploid plants, even after 9th generations, revealed that the tetraploids synthesized at two times more asiaticoside and madecassoside, as compared to control, untreated diploid plants.Keywords: Centella asiatica, polyploidy, asiaticosides, madecassoside, HPTLC
Procedia PDF Downloads 2461795 Phytochemical Screening, and Antimicrobial Evaluation of Bioactive Compounds from Red Millipede (Trigoniulus corallinus)
Authors: Y. B. Idris, M. Sirajo, L. G. Hassan, T. Izuagie, T. Muktar, I. Lawal, A. U. Abubakar
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This study investigates the extraction, phytochemical composition, and antimicrobial activity of bioactive compounds from red millipedes using three different solvents: n-Hexane, Chloroform, and Methanol. The largest yield was obtained from the methanol extract, which had percentage yields of 0.8%, 2.2%, and 5.6%, respectively. Terpenoids and sterols were found in all extracts according to preliminary zoochemical screening, but only the methanol extract included saponins and phenols. With a maximum zone of inhibition of 9 mm at 1000 µg/ml, antimicrobial susceptibility tests revealed that the methanol extract had the strongest antibacterial activity, especially against Escherichia coli and Staphylococcus aureus. Significant activity was also shown by the n-hexane extract, although the chloroform extract had only mild antibacterial activity. Tests for minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) verified that the methanol extract was more effective than the other extracts, particularly against S. aureus and S. typhi. None of the extracts, nonetheless, showed any discernible antifungal action. The potential of red millipede extracts, especially those based on methanol, as a source of antimicrobial chemicals for use in the future is highlighted by this work.Keywords: millipedes, defensive extraction, antibacterial, antifungal, antimicrobial, minimum inhibitory concentration (MIC), minimum bacterial concentration (MBC)
Procedia PDF Downloads 201794 Synthesis and Evaluation of Antioxidant Behavior of Some Indole-Based Melatonin Derivatives
Authors: Eddy Neuhaus, Hanif Shirinzadeh, Cigdem Karaaslan, Elif Ince, Hande Gurer-Orhan, Sibel Suzen
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Reactive oxygen species (ROS) and oxidative stress can cause fatal damage to essential cell structures, including DNA. It is known that use of antioxidants could be advantageous in the prevention of various diseases such as cancer, cardiovascular diseases and neurodegenerative disorders. Since antioxidant properties of the indole ring-containing melatonin (MLT) has been described and evaluated, MLT-related compounds such as MLT metabolites and synthetic analogues are under investigation to determine which exhibit the highest activity with the lowest side-effects. Owing to indole and hydrazones appealing physiological properties and are mostly found in numerous biologically active compounds a series of indole-7-carbaldehyde hydrazone derivatives were synthesized, characterized and in vitro antioxidant activity was investigated by evaluating their reducing effect against oxidation of a redox-sensitive fluorescent probe. Cytotoxicity potential of all indole-based MLT analogues was investigated both by lactate dehydrogenase leakage assay and by MTT assay. This work was supported by The Scientific and Technological Research Council of Turkey (TÜBİTAK) Research and Development Grant 112S599.Keywords: melatonin, antioxidant activity, indole, hydrazone, oxidative stress
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