Sharif Digital Repository

Molecules acting as antioxidants capable of scavenging reactive oxygen species (ROS) are of upmost importance in the living cell. Thymol derivatives exhibit various antioxidant activities and potential health benefits. Exploration of structure-radical scavenging activity (SAR) was approached with a wide range of thymol derivatives. To accomplish this task, the DPPH experimental assay along with quantum-chemical calculations were also employed for these compounds. By comparing the structural properties of the derivatives of interest, their antioxidant activity was explained by the formation of an intramolecular hydrogen bond and the presence of unsaturated double bond (–CHdouble bond; length... 

The free radical scavenging activity of a series of hydroxybenzohydroxamic acid derivatives have been studied in gas phase, water and benzene environments, using the density functional theory. Different mechanisms of reactions have been considered: single electron transfer (SET), hydrogen atom transfer (HAT). Rate constants were determined to know if the radical scavenging activity of these compounds proceeds via an H-atom or an electron-transfer mechanism. Calculations showed that the presence of the adjacent hydroxyl groups on phenyl ring increases the radical stability through intramolecular hydrogen bonds. The calculated bond dissociation enthalpy (BDE) values for hydroxyl groups on... 

Bromophenols are known as antioxidant radical scavengers for some biomolecules such as those in marine red alga. Full understanding of the role played by bromophenols requires detailed knowledge of the radical scavenging activities in probable pathways, a focus of ongoing research. To gain detailed insight into two suggested pathways, H-atom transfer and electron transfer, theoretical studies employing first principle quantum mechanical calculations have been carried out on selected bromophenols. Detailed investigation of the aforementioned routes revealed that upon H-atom abstraction or the electron transfer process, bromophenols cause an increase in radical species in which the unpaired... 

Rice bran is one of the most important co-products in the rice milling. In this research, antioxidant activity of two Iranian rice bran varieties, Fajr and Tarem, extracted by three different solvents (methanol, ethanol and ethyl acetate) was evaluated. The order of antioxidant activity was evaluated by measurement of total phenolic content, antioxidant activity in linoleic acid system, reducing power and scavenging capacity by DPPH radical. The methanolic extract of Fajr rice bran showed a total phenolic content of 3.31 mg Gallic acid/gr rice bran and a DPPH free radical-scavenging activity of 93.91%, achieved at 50 mg/ml concentration, and a percent inhibition of linoleic acid peroxidation... 

Manganese doped on cubic phase nanoparticles of ZrO2 was synthesized by an impregnation method. These novel particles were carefully analyzed by various chemico-physical methods. The catalytic degradation of an organic dye, methylene blue, in the presence of Mn-doped ZrO2 nanoparticles, as well as ZrO2 nanoparticles as catalyst with aqueous hydrogen peroxide, H2O2, as an oxidizing agent has been studied in aqueous solution at room temperature. Effects of solution pH, catalyst composition and radical scavenging agents on the degree of degradation of methylene blue were also studied. Finally, the recoverability and reusability of the... 

Mn-doped ZnO nanoparticles, Zn1−xMnxO, were synthesised by a polyethylene glycol (PEG) sol–gel method and the physicochemical properties of compounds were characterised by atomic absorption spectroscopy (AAS), energy-dispersive X-ray analysis, X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The catalytic degradation of an organic dye, methylene blue (MB), in the presence of Zn1−xMnxO as the catalyst and hydrogen peroxide (H2O2) as the oxidant at room temperature in water has been studied. Effects of oxidant, catalyst amount, catalyst composition, pH value of the solution and an OH-radical... 

Two types of nanosized photocatalyst, TiO 2 P-25 and ap/Ag/AgBr/TiO 2, were used for decolorization of Acid Blue 92 (AB92) in dark, visible light (V-L), and UV media. Under UV and V-L, the effect of three possible photodegradation processes of AB92 including photocatalytic degradation, self-photosensitization, and direct photolysis were studied. Results showed that in UV/photocatalysts, photocatalytic degradation is the major process for photodecolorization. However, in the presence of TiO 2, self-photosensitization has the major role under V-L. Because of the presence of AgBr as photoactive center in ap/Ag/AgBr/TiO 2, the main process is the photocatalytic degradation in V-L. By using... 

Herein, an electrochemical technique as a cost-effective and one-step approach was utilized to fabricate graphene quantum dots (GQDs). Different amounts of GQDs (0, 0.2, 0.4, 0.8, and 1.2 wt %) were decorated uniformly on the surface of anodized ZnO nanowires (NWs) forming GQD/ZnO NWs. Transmission electron microscopy and atomic force microscopy confirmed formation of GQDs on the ZnO NWs, 12-22 nm in width and 1-3 graphene layers thick. X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy were employed to verify the functional groups on the surface of GQDs, and the results indicated that GQDs readily anchored on the surface of ZnO NWs. The GQD/ZnO NWs exhibited a... 

Anticancer character of gold cluster has been indicated through its free radical scavenging properties. This is in contrast to its free radical promoting ability suggested by other workers. Here, we address this controversy by probing the stabilizing effects of Au3 cluster on RO• vs its impacts on RO-H bond dissociation enthalpy, at B3LYP/ LACVP+* level (RH, methyl, ethyl, n-propyl, i-propyl, n-butyl, t-butyl, and phenyl). In the presence of Au3 cluster, bond dissociation enthalpy of O-H bond and the spin density at the RO• oxygen are reduced dramatically. These are clear evidences for both the Au3 facilitation of the RO-H bond breakage and its scavenging of RO• radical. Since O-Au anchoring... 

Organ ischemia with inadequate oxygen supply followed by reperfusion (which initiates a complex of inflammatory responses and oxidative stress) occurs in different clinical conditions and surgical procedures including stroke, myocardial infarction, limb ischemia, renal failure, organ transplantation, free-tissue-transfer, cardiopulmonary bypass, and vascular surgery. Even though pharmacological treatments protect against experimental ischemia reperfusion (I/R) injury, there has not been enough success in their application for patient benefits. The main hurdles in the treatment of I/R injury are the lack of diagnosis tools for understanding the complicated chains of I/R-induced signaling... 

The free radical activity of lespedezacoumestan was investigated toward hydroxyl (˙OH) radical in polar and nonpolar media using density functional theory. Four reaction mechanisms including radical adduct formation, hydrogen atom transfer, sequential single electron-proton transfer (SET-PT), and sequential proton loss electron transfer were considered. The rate constants and branching ratio for all possible sites of reaction were calculated and reported for the first time. According to the obtained results, lespedezacoumestan reacts faster with ˙OH radical in aqueous solution than in nonpolar media. Also, lespedezacoumestan is an excellent ˙OH radical scavenger regardless of the environment... 

Anticancer character of gold cluster has been indicated through its free radical scavenging properties. This is in contrast to its free radical promoting ability suggested by other workers. Here, we address this controversy by probing the stabilizing effects of Au3 cluster on RO• vs its impacts on RO–H bond dissociation enthalpy, at B3LYP/ LACVP+* level (R═H, methyl, ethyl, n-propyl, i-propyl, n-butyl, t-butyl, and phenyl). In the presence of Au3 cluster, bond dissociation enthalpy of O–H bond and the spin density at the RO• oxygen are reduced dramatically. These are clear evidences for both the Au3 facilitation of the RO–H bond breakage and its scavenging of RO• radical. Since O–Au... 

Vanadium supported on spinel cobalt ferrite nanoparticles was synthesized and characterized using Fourier transform infrared spectroscopy, X-ray diffraction, energy-dispersive X-ray analysis and transmission electron microscopy. For the first time, the prepared material was used for the catalytic degradation of methylene blue as an organic dye in the presence of hydrogen peroxide as a green oxidant and NaHCO3 as a co-reagent at room temperature. The dependency of removal percentage on various parameters such as amount of catalyst, pH, reaction time and temperature and the effect of radical scavenging agents were studied. Finally, recoverability and reusability of the vanadium supported on... 

S. lanata has been traditionally used as a medicinal plant due to its various biological activities such as antioxidant activity. Therefore, identification and quality control studies of this plant are of great importance. To this end, gas chromatography (GC) combined with chemometrics was proposed for fingerprint analysis of S. lanata samples. This study sought to classify GC fingerprints of twenty-eight S. lanata samples from eight different regions of Iran and more importantly, to correlate fingerprints to the antioxidant activity to select S. lanata volatile antioxidant markers. S. lanata samples were classified into five and three classes using partial least squares-discriminant... 

This study investigated the synthesis of Pd nanoparticles (NPs) using a high-gravity technique mediated by Salvia hispanica leaf extracts. Biological assays confirmed their antibacterial activity against gram positive (S. aureus) and gram negative (E. coli) bacteria with significant antioxidant activity in comparison with the standards as well as low cellular toxicity on PC12 and HEK293 cell lines. To the best of our knowledge, this study can be considered as the first investigation of Pd-NPs synthesized by Salvia hispanica leaf extracts assisted by a high-gravity technique. In addition, the mentioned green synthesis procedure led to the formation of nanoparticles with considerable... 

Titanium nanotubes (TNTs) were prepared using TiO2 and decorated with CuO and Cu2O to have photocatalytic efficiency under visible light. TNTs decorated with copper oxides (TNT-CuO and TNT-Cu2O) were confirmed by the elemental mapping and XPS results. Unlike TNT and TiO2, TNT-CuO and TNT-Cu2O showed higher photocatalytic activity, such as antimicrobial and ethylene scavenging activities under visible light. Between the two types of copper oxide-decorated TNTs, TNT-Cu2O showed photocatalytic activity higher than that of TNT-CuO. The ethylene scavenging activity of TNT-Cu2O was about 40% higher than that of TNTs and TNT-CuO. The photocatalytic activity of titanium-based nanoparticles was...