Sharif Digital Repository

Two electrochemical sensors based on modified glassy carbon electrodes with carbon nanostructures as graphene (GCE–EG) and carbon nanotubes (GCE–CNT) were evaluated for morpholine analysis. The carbon nanostructures were obtained and characterized using X-ray photoelectron spectroscopy, Raman spectroscopy, X-ray diffraction, transmission electron microscopy, high-resolution transmission electron microscopy and cyclic voltammetry. All spectroscopic and microscopic techniques confirmed the procurement of graphene and CNT. The electrochemical studies proved the efficient behaviour of both electrodes GCE–EG and GCE–CNT in sensing and detection of morpholine via differential pulse voltammetry.... 

Clioquinol is an antifungal, antiprotozoal and an Alzheimer's disease drug with cytotoxic activity toward human cancer cells. The electrochemical behavior of clioquinol and its oxidation product was studied using cyclic, differential pulse and square-wave voltammetry over a wide pH range on a glassy carbon electrode. The results revealed that the oxidation of clioquinol is an irreversible pH-dependent process that proceeds with the transfer of one electron and one proton in an adsorption-controlled mechanism and results in the formation of a main oxidation product, which adsorbs very strongly on the glassy carbon surface. The charge transfer coefficient was calculated as 0.64. The adsorbed... 

The electrochemical behaviour of temozolomide on a glassy carbon electrode has been investigated. The reduction of temozolomide is an irreversible process, pH dependent, and the mechanism involves the addition of one electron and one proton to C5 to form an anion radical, causing the irreversible breakdown of the tetrazinone ring. The oxidation mechanism of temozolomide is an irreversible, adsorption-controlled process, pH dependent up to value close to the pKa and occurs in two consecutive charge transfer reactions, with the formation of the hydroxylated product. The electroanalytical determination of TMZ led to a detection limit of 1.1 μM  

The electrochemical behavior of antioxidants daidzein (DZ) and 7-hydroxy-4-chromone (7-OH-4-CHM) was investigated. The oxidation of DZ is irreversible, pH-dependent, and occurs in two steps, the first of 4′-OH on the B-ring and the second on the 7-OH on the A-ring. The oxidation of 7-OH-4-CHM occurs on the 7-OH on the A-ring, is irreversible, pH-dependent and proceeds in a single step. The DZ diffusion coefficient was calculated in pH7.0 phosphate buffer to be D DZ=8.1×10 -5cm 2s -1. The detection limits of DZ and 7-OH-4-CHM was calculated as LOD DZ=0.08μM and LOD 7-OH-4-CHM=0.13μM  

The fish freshness was evaluated using machine vision technique through color changes of eyes and gills of farmed and wild gilthead sea bream (Sparus aurata), being employed lightness (L*), redness (a *), yellowness (b*), chroma (c *), and total color difference (ΔE) parameters during fish ice storage. A digital color imaging system, calibrated to provide accurate CIELAB color measurements, was employed to record the visual characteristics of eyes and gills. The region of interest was automatically selected using a computer program developed in MATLAB software. L*, b *, and ΔE of eyes increased with storage time, while c* decreased. The a* parameter of fish eyes did not show clear a trend... 

Mononuclear nonheme iron containing systems are versatile and vital oxidants of substrate hydroxylation reactions in many biosystems, whereby the rate constant of hydroxylation correlates with the strength of the C-H bond that is broken in the process. The thermodynamic reason behind these correlations, however, has never been established. In this work results of a series of density functional theory calculations of substrate hydroxylation by a mononuclear nonheme iron(IV)-oxo oxidant with a 2 His/ 1Asp structural motif analogous to aketoglutarate dependent dioxygenases are presented. The calculations show that these oxidants are very efficient and able to hydroxylate strong C-H bonds,... 

The discrete-time quantum walk dynamics can be generated by a time-dependent Hamiltonian, repeatedly switching between the coin and the shift generators. We change the model and consider the case where the Hamiltonian is time-independent, including both the coin and the shift terms in all times. The eigenvalues and the related Bloch vectors for the time-independent Hamiltonian are then compared with the corresponding quantities for the effective Hamiltonian generating the quantum walk dynamics. Restricted to the non-localized initial quantum walk states, we optimize the parameters in the time-independent Hamiltonian such that it generates a dynamics similar to the Hadamard quantum walk. We... 

An Iron(lV)-oxo heme(+·) complex (Compound I, Cpd I) is the proposed active species of heme enzymes such as the cytochromes P450 and Is elusive; therefore, biomimetic studies on active site mimics give valuable Insight Into the fundamental properties of heme active species. In this work we present density functional theory (DFT) calculations on substrate hydroxylatlon by a Compound I mimic [FeIV=O(Por+̇)Cl] and its one-electron reduced form [FeIV=O(Por)Cl]-. Thus, recent experimental studies showed that [FeIV =O(Por)Cl]- is able to react with substrates via hydride transfer reactions [Jeong, Y. J.; Kang, Y.; Han, A.-R.; Lee, Y.-M.; Kotani, H.; Fukuzumi, S.; Nam, W. Angew. Chem., Int. Ed.... 

In this work we present results of density functional theory (DFT) calculations on dicopper patellamides and their affinity for molecular oxygen and carbonate. Patellamides are cyclic octapeptides that are produced by a cyanobacterium, and may show promise as therapeutics. Thus, carbonate binding to a dicopper patellamide center gives a stable cyclic octapeptide with a twist of almost 90°. The system exists in close-lying open-shell singlet and triplet spin states with two unpaired electrons in orthogonal σ* orbitals on each metal center. Subsequently, we replaced carbonate with dioxygen and found a stable Cu2(μ-O)2 diamond shaped patellamide core. In this structure the original dioxygen... 

A signed graph Gσ is an ordered pair (V(G),E(G)), where V(G) and E(G) are the set of vertices and edges of G, respectively, along with a map σ that signs every edge of G with +1 or −1. An eigenvalue of the associated adjacency matrix of Gσ, denoted by A(Gσ), is a main eigenvalue if the corresponding eigenspace has a non-orthogonal eigenvector to the all-one vector j. We conjectured that for every graph G≠K2,K4{e}, there is a switching σ such that all eigenvalues of Gσ are main. We show that this conjecture holds for every Cayley graphs, distance-regular graphs, vertex and edge-transitive graphs as well as double stars and paths. © 2020 Elsevier Inc  

A signed graph Gσ is an ordered pair (V(G),E(G)), where V(G) and E(G) are the set of vertices and edges of G, respectively, along with a map σ that signs every edge of G with +1 or −1. An eigenvalue of the associated adjacency matrix of Gσ, denoted by A(Gσ), is a main eigenvalue if the corresponding eigenspace has a non-orthogonal eigenvector to the all-one vector j. We conjectured that for every graph G≠K2,K4{e}, there is a switching σ such that all eigenvalues of Gσ are main. We show that this conjecture holds for every Cayley graphs, distance-regular graphs, vertex and edge-transitive graphs as well as double stars and paths. © 2020 Elsevier Inc  

A signed graph Gσ is an ordered pair (V(G),E(G)), where V(G) and E(G) are the set of vertices and edges of G, respectively, along with a map σ that signs every edge of G with +1 or −1. An eigenvalue of the associated adjacency matrix of Gσ, denoted by A(Gσ), is a main eigenvalue if the corresponding eigenspace has a non-orthogonal eigenvector to the all-one vector j. We conjectured that for every graph G≠K2,K4{e}, there is a switching σ such that all eigenvalues of Gσ are main. We show that this conjecture holds for every Cayley graphs, distance-regular graphs, vertex and edge-transitive graphs as well as double stars and paths. © 2020 Elsevier Inc  

In photoacoustic tomography (PAT) systems, the tangential resolution decreases due to the finite size of the transducer as the off-center distance increases. To address this problem, we propose a multi-angle detection approach in which the transducer used for data acquisition rotates around its center (with specific angles) as well as around the scanning center. The angles are calculated based on the central frequency and diameter of the transducer and the radius of the region-of-interest (ROI). Simulations with point-like absorbers (for point-spread-function evaluation) and a vasculature phantom (for quality assessment), and experiments with ten 0.5 mm-diameter pencil leads and a leaf... 

Task-based self-organizing algorithms have been proposed as a solution for the management of mobile ad-hoc networks (MANETs). Such algorithms assign tasks to nodes by sequentially selecting the best nodes as leaders. Since the correct functionality of such algorithms depends on the truthfulness of participant nodes, any misbehavior can disrupt the operation of the network due to absence of a centralized monitoring unit. In this paper, we consider the problem of malicious behavior in leader-based MANETs. Current solution analyzes the behavior of the leader by means of some checker nodes. This approach is vulnerable since a malicious checker can ruin the character of a normal behaving leader,... 

We present the first density functional theory study on α-ketoglutarate dependent halogenase and focus on the mechanism starting from the iron(IV)-oxo species. The studies show that the high-valent iron(IV)-oxo species reacts with substrates via an initial and rate determining hydrogen abstraction that is characterized by a large kinetic isotope effect (KIE) of 26.7 leading to a radical intermediate. This KIE value is in good agreement with experimental data. The reaction proceeds via two-state reactivity patterns on competing quintet and septet spin state surfaces with close lying hydrogen abstraction barriers. However the septet spin radical intermediate gives very high barriers for... 

Advances in biomanufacturing techniques have opened the doors to recapitulate human sensory organs such as the nose and ear in vitro with adequate levels of functionality. Such advancements have enabled simultaneous targeting of two challenges in engineered sensory organs, especially the nose: i) mechanically robust reconstruction of the nasal cartilage with high precision and ii) replication of the nose functionality: odor perception. Hybrid nasal organs can be equipped with remarkable capabilities such as augmented olfactory perception. Herein, a proof-of-concept for an odor-perceptive nose-like hybrid, which is composed of a mechanically robust cartilage-like construct and a biocompatible... 

This research demonstrates the feasibility to enhance solar disinfection (SODIS) treatment by addition of peroxymonosulfate (PMS) and peroxydisulfate (PDS) by the generation of sulfate (and hydroxyl) radicals through different activation routes. The different promoters were i) sunlight irradiation, ii) mild heat (40 °C), and iii) μM amounts of Fe2+, all present during actual field SODIS experiments, or voluntarily added alongside PMS/PDS. In a first approach, the promoters were studied separately, in pairs and finally all together in a combined process (CP). In all the cases, PMS showed a higher efficiency than PDS in E. coli removal, requiring lower concentration and a faster reaction time... 

The unpredictable nature and devastating impact of earthquakes enforce governments of disaster-prone regions to provide practical response plans to minimize damage and losses resulting from earthquakes. Logistics management is one of the key issues that should be considered for an appropriate response, in particular, the planning of the transport of commodities required during response and the evacuation of injured people. This paper develops a dynamic model for dispatching and routing vehicles in response to an earthquake. We focus on the transport of both commodity towards affected areas and injured people to hospitals. The proposed model is capable of receiving updated information at any... 

With the decline in oil discoveries over recent decades, it is believed that enhanced oil recovery (EOR) technologies will play a key role to meet energy demand in the coming years. Polymer flooding is used commonly worldwide as an EOR process. In this work, we propose the synthesis of protected polyacrylamide (PAM) nanoparticles (PPNs) with a hydrophobic polystyrene (PSt) shell by one-pot two-step inverse emulsion polymerization, in which the PSt shell was created by surface polymerization. The shell protects the active PAM chains from premature degradation caused by the harsh environment in the reservoirs, controls the release of the chains as rheological modifiers, and additionally, it... 

Abstract original image Smart Enhanced Oil Recovery Process using Core–Shell Nanoparticles: The cover image denotes schematically the enhanced oil recovery process by flooding using an aqueous dispersion of core–shell nanoparticles made up of protected polyacrylamide nanostructures (PPNs). Y. Tamsilian and his colleagues at Sharif University of Technology (Iran) and the Institute for Polymer Material (POLYMAT, Spain) demonstrated the synthesis of polyacrylamide nanoparticles protected with a hydrophobic polystyrene shell by using a one-pot, two-step inverse emulsion polymerization technique, where the polystyrene shell was created by surface polymerization. The presence of the hydrophobic...