Sharif Digital Repository

Lung cancer (LC) is the leading cause of cancer mortality so, the analysis of exhaled human breath has great significance for early non-invasive diagnosis. Poor selectivity and strong humidity are two bottlenecks for the application of gas sensors to exhaled breath analysis. The development of novel extractive phases for the analysis of exhaled breath by chromatography is therefore a lucrative object. Polyhedral oligomeric silsesquioxanes (POSS) are among the 3D porous materials whose unique properties make them promising coatings for solid-phase microextraction (SPME). Selective enrichment of polar or nonpolar targets depends on the pore size and functional groups on the POSSs. Herein, we... 

Hydrothermal and in-situ polymerization methods were used to successfully fabricate a pompon flower-like CoGd0.5Fe1.5O4 (CG) as a magnetic component and a cauliflower-like poly(indole-co-Py) (PP) co-polymer as a dielectric component for microwave absorption. The physico-chemical properties of CG/PP samples were determined via XPS, XRD, FTIR, BET, UV–vis, EDS, and FESEM analysis. VNA and VSM were used to evaluate the dielectric and electromagnetic properties of the CG and PP samples. The results of the absorption capability tests revealed that bi-layer samples outperformed single layer samples in terms of microwave dissipation capability. The thickness and arrangement of each layer in bilayer... 

Fine particulate matter cause profound adverse health effects in Iran. Road traffic is one of the main sources of particulate matter (PM) in urban areas, and has a large contribution in PM2.5 and organic carbon concentration, in Tehran, Iran. The composition of fine PM vehicle emission is poorly known, so this paper aims to determine the mixed fleet source profile by using the analysed data from the two internal stations and the emission factor for PM light-duty vehicles emission. Tunnels are ideal media for extraction vehicle source profile and emission factor, due to vehicles are the only source of pollutant in the urban tunnels. In this study, PM samples were collected simultaneously in... 

In this study, we designed, engineered and investigated two new thermally activated delayed fluorescence (TADF) dyes obtained from D–A–D′ type, consisted of 2-(9H-carbazol-9-yl)-3-(3-methoxy-9H-carbazol-9-yl)-9H-xanthen and 2-(3,6-di-tert-butyl-9H-carbazol-9-yl)-3-(3-methoxy -9H-carbazol-9-yl)-9H-xanthen. In these dyes, xanthen derivative and carbazole derivatives have played important roles as an acceptor and two unsymmetrical donor units. In addition, the photophysical properties of these dyes were evaluated by the UV–VIS absorption, photoluminescence spectroscopy and photoluminescence decay lifetime analysis in solution, initial dye, non-doped and doped solid state (neat–film) at... 

This research aims to present asphaltene fraction of oil by FTIR spectrum technique. For this purpose, three different oil samples with various SARA contents and almost identical API degrees were utilized in this research. Two asphaltenic oil samples were referred to as ‘A’ and ‘B’, and the aliphatic oil sample was named as ‘C’. First of all, the asphaltene fraction was extracted through the IP-143 test. The possible chemical bonds and functional groups were identified through NMR tests. Then, the FTIR spectrums of the oil samples and the extracted corresponding asphaltene fractions were taken. The interpretations were used to find the functional groups in the FTIR of the oil samples that... 

Treated waste water (TWW) quality varies due to the occurrence of polycyclic aromatic hydrocarbons (PAHs) up to low μg L−1. In this study, a non-targeted metabolomic analysis was performed on lettuce (Lactuca sativa L) exposed to 4 PAHs by irrigation. The plants were watered with different concentrations of contaminants (0–100 μg L−1) for 39 days under controlled conditions and then harvested, extracted and analyzed by nuclear magnetic resonance (NMR). Different chemometric tools based on principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA) are proposed for the analysis of the complex data sets generated in the different exposure experiments.... 

Metal-free D–D–π–A type dyes (i.e., Car-Cy, Car-Rh, Dpa-Cy, and Dpa-Rh) were designed and synthesized for dye-sensitized solar cells (DSSCs). In the structure of the sensitized dyes, an imidazole ring is connected to a carbazole or diphenylamine moiety as a donor while cyanoacetic acid or rhodanine-3-acetic acid was introduced as an acceptor/anchor. The molecular structures of D–D–π–A type dyes were characterized using IR, NMR and MS spectral data. The optical, electrochemical, theoretical, light harvesting property, HOMO/LUMO levels, redox behavior, and photovoltaic properties of the synthesized dyes were evaluated. Among the fabricated photovoltaic devices based on the prepared dye, Dpa-Cy... 

Implementation of metal organic frameworks (MOFs) in the separation science has attracted many researchers attention. In this study, the role of metal, ligand, the reaction condition and modification on the extraction efficiency of some MOFs was investigated. Among the prevalent reported MOFs, some members of the MIL and MOF–5 families were chosen, and eleven MOF–based sorbents were prepared by changing the metal and ligand type, reaction condition, and/or functionality through post synthetic modification (PSM). MIL–101 and MIL–101–NH2 based structures were initially synthesized based on the chromium and iron salts. Also, three zinc–based structures including MOF–5, [NH2(CH3)2]2... 

N-annulated perylene based materials show outstanding and tunable optical and physical properties, making them suitable to be charge transport materials for optoelectronic applications. However, this type of materials has so far not been well studied in solar cells. Here, we develop a new hole transport material (HTM), namely S5, based on perylene building block terms, for organic-inorganic hybrid perovskite solar cells (PSCs). We have systematically studied the influences of the film thickness of S5 on their photovoltaic performance, and a low concentration of S5 with a thinner HTM film is favorable for obtaining higher solar cell efficiency. S5 shows excellent energy alignment with... 

Carbazole compounds are p-type hole-transporting materials (HTMs) useful for perovskite solar cells (PSCs). In this work, we developed a new class of carbazol based HTMs; non-fused 3-D asymmetric structures (S14 and S12) as HTM of PSCs. To the best of our knowledge, there is no report on non-fused HTMs with a high glass transition temperature (Tg = 165 °C), which reduces crystallization and suppresses grain boundaries in glassy film, resulting in long-term durability. Experimental results show that tuning the carbazole moiety in S14 structure has a constructive influence on geometrical alignment, hole mobility, hydrophobicity, stability as well as efficiency. The resultant power conversion... 

In this study, magnetic nanoparticles (MNPs) modified with poly amidoamine (PAMAM) dendrimers - by adding methyl acrylate and ethylenediamine continuously till 10th generation- which further anchored to benzaldehyde ligand through polymeric bonding and studied as a novel method for synthesizing a nano sorbent for removing naphthalene (NAP) from aqueous environments. Synthesized nanopolymer was characterized by Fourier transform infrared spectroscopy (FTIR), Field-Emission Scanning Electron Microscopy (FE-SEM) equipped with EDS, X-ray Diffraction (XRD), Vibrating Sample Magnetometry (VSM), thermal gravimetric analysis (TGA). Based on the obtained analysis results synthesized average... 

In this research, a new approach for extraction and determination of polycyclic aromatic hydrocarbons from sea and rain water samples was developed by implementing a superhydrophobic substrate and consuming the least amount of solvent. This version of solvent–supported microextraction enabled us to perform the procedure in the immersion mode with the slightest troubles arising from water leakage into the gas chromatography. The superhydrophobic property leads to the fixation of extracting solvent on the substrate surface during water sampling. To prepare a superhydrophobic substrate, a piece of melamine foam was coated by tannic acid and silica nanoparticles using methyltrimethoxysilane and... 

The aim of this study is to introduce an extractive phase based on gradient concept by continuous changing in chemical functional groups for non–targeted analysis. For this purpose, three different two–component coatings containing (3–aminopropyl)trimethoxysilane (APTES) as polar and either phenyltriethoxysilane (PTES), octyl–trimethoxysilane (OTMS) or methyltrimethoxysilane (MTMS) as nonpolar precursors were formed on the modified stainless steel wires using controlled rate infusion (CRI) method. The presence of polar and/or non–polar functional groups on the surface of substrate was evaluated by Fourier–transform infrared spectroscopy (FTIR) together with contact angles determined... 

Currently PM2.5 is a major air pollution concern in Tehran, Iran due to frequent high levels and possible adverse impacts. In this study, which is the first of its kind to take place in Tehran, composition and sources of PM2.5 and carbonaceous aerosol were determined, and their seasonal trends were studied. In this regard, fine PM samples were collected every six days at a residential station for one year and the chemical constituents including organic marker species, metals, and ions were analyzed by chemical analysis. The source apportionment was performed using organic molecular marker-based CMB receptor modeling. Carbonaceous compounds were the major contributors to fine particulate mass... 

Bioremediation of soil and groundwater sites contaminated by petroleum hydrocarbons is known as a technically viable, cost-effective, and environmentally sustainable technology. The purpose of this study is to investigate laboratory-scale bioremediation of petroleum-hydrocarbon contaminated soil through development of eight bioreactors, two bioreactors for each bioremediation mode. The modes were: (1) natural attenuation (NA); (2) biostimulation (BS) with oxygen and nutrients; (3) bioaugmentation (BA) with hydrocarbon degrading isolates; (4) a combination of biostimulation and bioaugmentation (BS-BA). Total petroleum hydrocarbons (TPH) mass balance over the bioreactors showed about 2% of... 

This work numerically studies the effects of inlet air and fuel turbulators on the thermal behavior of a combustor burning the jet propulsion (JP) (kerosene-surrogate) fuel and its resulting pollutants emission including the nanoparticulate soot aerosols and aromatic compounds. To model the soot formation, the method employs a semi-empirical two-equation model, in which the transport equations for soot mass fraction and soot number density are solved considering soot nanoparticles evolutionary process. The soot nucleation is described using the phenyl route in which the soot is formed from the polycyclic aromatic hydrocarbons. Incorporating a detailed chemical mechanism described by 200... 

In the present study, multivariate analytical figures of merit (AFOM) for three well-known second-order calibration algorithms, parallel factor analysis (PARAFAC), PARAFAC2 and multivariate curve resolution-alternating least squares (MCR-ALS), were investigated in simulated hyphenated chromatographic systems including different artifacts (e.g., noise and peak shifts). Different two- and three-component systems with interferences were simulated. Resolved profiles from the target components were used to build calibration curves and to calculate the multivariate AFOMs, sensitivity (SEN), analytical sensitivity (γ), selectivity (SEL) and limit of detection (LOD). The obtained AFOMs for different... 

In this work, we numerically study the effects of turbulence intensity at the fuel and oxidizer stream inlets on the soot aerosol nano-particles formation in a kerosene fuel-based combustor. In this regard, we study the turbulence intensity effects specifically on the thermal performance and nanoparticulate soot aerosol emissions. To construct our computer model, we simulate the soot formation and oxidation using the Polycyclic Aromatic Hydrocarbons PAHs-inception and the hydroxyl concept, respectively. Additionally, the soot nucleation process is described using the phenyl route, in which the soot inception is described based on the formations of tworinged and three-ringed aromatics from... 

In this paper, the effects of a baffle plate on flame deflection and its throttling are investigated numerically in a combustor consuming jet propellant JP. We study the plate effects on the resulting soot volume fraction, soot particles diameter, mass fractions of carbon monoxide (CO), carbon dioxide (CO2), and benzene (C6H6). We use a two-equation turbulence model, a PAH-inception two-equation soot model imposing oxidation due to OH agents, a detailed chemical kinetic consisting of 121 species and 2613 elementary reactions, and the flamelet combustion model to perform the current study. We also take into account the turbulence-chemistry interaction using the presumed-shape probability... 

In the present work, we investigated the characteristics of polycyclic aromatic hydrocarbons (PAHs) and metal(loid)s in indoor/outdoor PM10, PM2.5, and PM1 in a retirement home and a school dormitory in Tehran from May 2012 to May 2013. The results indicated that the annual levels of indoor and outdoor PM10 and PM2.5 were much higher than the guidelines issued by the World Health Organization (WHO). The most abundant detected metal(loid)s in PM were Si, Fe, Zn, Al, and Pb. We found higher percentages of metal(loid)s in smaller size fractions of PM. Additionally, the results showed that the total PAHs (ΣPAHs) bound to PM were...