Sharif Digital Repository

The present contribution is devoted to develop multivariate analytical figures of merit (AFOMs) as a new metric for evaluation of quantitative measurements using comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS). In this regard, new definition of sensitivity (SEN) is extended to GC × GC–MS data and then, other multivariate AFOMs including analytical SEN (γ), selectivity (SEL) and limit of detection (LOD) are calculated. Also, two frequently used second- and third-order calibration algorithms of multivariate curve resolution-alternating least squares (MCR-ALS) as representative of multi-set methods and parallel factor analysis (PARAFAC) as representative of... 

The simultaneous oxidation performance of benzene, toluene, ethylbenzene, and xylene (BTEX) by nanoscale calcium peroxide particles (nCaO2) activated with ferric ions (Fe(III)) and the mechanism of the enhancement of BTEX degradation by L-cysteine (L-cys) were investigated. The batch experimental results showed that the nCaO2/Fe(III)/L-cys process was effective in the destruction of BTEX in both ultrapure water and actual groundwater. A proper amount of L-cys could enhance BTEX degradation due to the promotion of Fe(II)/Fe(III) redox cycles by the participation of L-cys, but an excessive presence of L-cys would cause inhibition. Adding 1.0 mM L-cys to the nCaO2/Fe(III) system, the... 

The feasibility of employing the biological activated carbon (BAC) process to debilitate azo dye Carmoisine by Klebsiella spp. was investigated. Plate assay revealed the capability of Klebsiella spp. for removal of Carmoisine via degradation. Kinetic parameters were measured for Carmoisine debilitation by Klebsiella spp. using the suspended anaerobic process. Two types of granular and rod-shaped activated carbon were used to form the biological beds in order to study the Carmoisine debilitation in batch processes. Scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM) were used to indicate the colonization and biofilm formation of bacteria grown on activated carbon... 

Ultrafine particles of paracetamol were produced by Rapid Expansion of Supercritical Solution (RESS). The experiments were conducted to investigate the effects of extraction temperature (313353K), extraction pressure (1018MPa), preexpansion temperature (363403K), and postexpansion temperature (273323 K) on particles size and morphology of paracetamol particles. The characterization of the particles was determined by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), and Liquid Chromatography/Mass Spectrometry (LC-MS) analysis. The average particle size of the original paracetamol was 20.8m, while the average particle size of paracetamol after nanonization via the... 

The supernatant obtained from the extracellular laccase produced by Phanerochaete chrysosporium was used as the enzyme source to conduct a partial purification, characterization and dye decolorization study. The partially purified enzyme was stable in the pH range of 3–5 and showed an optimum activity at pH 4.0, using guaiacol as a substrate. Laccase stability of pH was determined and discovered to retain 100% of its activity at a pH of 4.0 after 2 h. The maximum enzyme activity was obtained between 30 and 50 °C. The maximum velocity and Michaelis constant were calculated as 3.171 µM−1·min and 1628.23 µM, respectively. The enzyme was activated by Fe2+, Zn2+, Ca2+ and Cu2+, while Hg2+, Mn2+,... 

A Quantitative Structure-Retention Relationship (QSRR) study of 32 benzodiazepines is performed in this work. Two feature selection methods of Adaptive Neuro Fuzzy Inference System (ANFIS) and a stepwise regression approach adopted for the Multiple Linear Regressions (MLR) were used to predict the Liquid Chromatography-Mass Spectrometry (LC-MS) Retention Time (RT) of these compounds on a Xterra MS C-18 stationary phase. ANFIS and MLR methods were used as variable selection tools and a neural network was employed for predicting the RTs. Tbree descriptors of 3D-MoRSE-signal 06/weighted by atomic polarizabilities (Mor06p), Radial Distribution Function-1.0/weighted by atomic van der Waals... 

Fluopyram, flupyradifurone, and indaziflam are novel systemic pesticides developed by Bayer. Based on available data, these pesticides appears to have a favorable safety profile in the case of pesticide residue problems. Herein, we report an effective analytical method for the determination of novel pesticides were developed using ultra-high performance liquid chromatography with tandem mass spectrometry coupled with a quick, easy, cheap, effective, rugged, and safe procedure. These target compounds were extracted with acetonitrile and cleaned up with PSA, and were separated successfully between 10.2 and 18.3 min using a C18 chromatographic column connected to an electrospray ionization... 

The feasibility of employing the biological activated carbon (BAC) process to debilitate azo dye Carmoisine by Klebsiella spp. was investigated. Plate assay revealed the capability of Klebsiella spp. for removal of Carmoisine via degradation. Kinetic parameters were measured for Carmoisine debilitation by Klebsiella spp. using the suspended anaerobic process. Two types of granular and rod-shaped activated carbon were used to form the biological beds in order to study the Carmoisine debilitation in batch processes. Scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM) were used to indicate the colonization and biofilm formation of bacteria grown on activated carbon... 

An immersed solvent microextraction (SME) method was successfully developed for the trace enrichment of s-triazine herbicides from aquatic media. A microdrop of butyl acetate was applied as the extraction solvent. After extraction, the microdrop was introduced directly into a gas chromatography-mass spectrometry (GC-MS) injection port. Some important extraction parameters such as type of solvent, extraction time, stirring rate, and temperature were investigated and optimized. The highest possible microdrop volume of 3 μl, a sampling temperature of 60°C, and use of butyl acetate are major parameters to obtain high enrichment factors. The enrichment factor and linearity was studied by... 

Biomass, originates from plant- or animal-based materials with a huge potential to be reused. Here we report a simple, rapid and inexpensive method for preparation of modified biochars derived from the banana peel followed by their applications in pipette-tip micro solid-phase extraction (PT-µSPE). Due to the contribution of various effective parameters on modification of banana peel biochars (BPBs), Taguchi design was used to optimize activation temperature, activation repetition, treatment material and impregnation ratio. Efficiency of the prepared BPBs were studied by extraction of twelve various pesticides, as model analytes with an extended range of log P values (1.4–5.7), followed by... 

We previously reported that MR01, an indigenous strain of Pseudomonas aeruginosa, was able to produce a rhamnolipid-type biosurfactant. Here, we attempted to define the structural properties of this natural product. The analysis of the extracted biosurfactant by thin-layer chromatography (TLC) revealed the presence of two compounds corresponding to those of authentic mono- and di-rhamnolipid. The identity of two structurally distinguished rhamnolipids was confirmed by 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. Liquid chromatography/mass spectrometry (LC/MS) of extracted biosurfactant revealed up to seventeen different rhamnolipid congeners. Further quantification showed...