Sharif Digital Repository

This work develops a systematic uncertainty quantification framework to assess the reliability of prediction delivered by physics-based material models in the presence of incomplete measurement data and modeling error. The framework consists of global sensitivity analysis, Bayesian inference, and forward propagation of uncertainty through the computational model. The implementation of this framework on a new multiphase model of novel porous silica aerogel materials is demonstrated to predict the thermomechanical performances of a building envelope insulation component. The uncertainty analyses rely on sampling methods, including Markov-chain Monte Carlo and a mixed finite element solution of... 

One of the antibiotics used to treat infections is streptomycin sulfate that inhibits both Gram-negative and -positive bacteria. Nanoparticles are suitable carriers for the direct delivery and release of drug agents to infected locations. Niosomes are one of the new drug delivery systems that have received much attention today due to their excellent biofilm penetration property and controlled release. In this study, niosomes containing streptomycin sulfate were prepared by using the thin layer hydration method and optimized based on the size, polydispersity index (PDI), and encapsulation efficiency (EE%) characteristics. It was found that the Span 60-to-Tween 60 ratio of 1.5 and the... 

Field-effect transistors have been widely used to study electronic transport and doping in colloidal quantum dot solids to great effect. However, the full power of these devices to elucidate the electronic structure of materials has yet to be harnessed. Here, we deploy nanodielectric field-effect transistors to map the energy landscape within the band gap of a colloidal quantum dot solid. We exploit the self-limiting nature of the potentiostatic anodization growth mode to produce the thinnest usable gate dielectric, subject to our voltage breakdown requirements defined by the Fermi sweep range of interest. Lead sulfide colloidal quantum dots are applied as the active region and are treated... 

Field-effect transistors have been widely used to study electronic transport and doping in colloidal quantum dot solids to great effect. However, the full power of these devices to elucidate the electronic structure of materials has yet to be harnessed. Here, we deploy nanodielectric field-effect transistors to map the energy landscape within the band gap of a colloidal quantum dot solid. We exploit the self-limiting nature of the potentiostatic anodization growth mode to produce the thinnest usable gate dielectric, subject to our voltage breakdown requirements defined by the Fermi sweep range of interest. Lead sulfide colloidal quantum dots are applied as the active region and are treated... 

With the increased occurrence of antibiotic-resistant bacteria, alternatives to classical antibiotics are urgently needed for treatment of various infectious diseases. Medicinal plant extracts are among the promising candidates due to their bioactive components. The aim of this study was to prepare niosome-encapsulated Echinacea angustifolia extract and study its efficacy against multidrug-resistant Klebsiella pneumoniae strains. Encapsulation was first optimized by Design of Experiments, followed by the empirical study. The obtained niosomes were further charac-terized for the size and morphology using dynamic light scattering (DLS), transmission electron microscopy (TEM), and scanning... 

The petroleum industry suffers from reservoir souring phenomena, which has negative impacts on production facilities, health, and environment. Injection of incompatible water into the reservoir (waterflooding), which is considered as an enhanced oil recovery (EOR) method, is one of the most common causes of reservoir souring. In general, injected brine, especially seawater, contains high amounts of sulfate ion (SO42−). A high concentration of sulfate in the presence of sulfate-reducing bacteria (SRB) leads to the microbial reservoir souring. During this phenomenon, sulfide, specifically hydrogen sulfide gas (H2S) appears in the producing fluid of the reservoir. In this paper, a coupled... 

The liver plays a complex role in metabolism and detoxification, and better tools are needed to understand its function and to develop liver-targeted therapies. In this study, we establish a mechanobiological model of liver transport and hepatocyte biology to elucidate the metabolism of urea and albumin, the production/detoxification of ammonia, and consumption of oxygen and nutrients. Since hepatocellular shear stress (SS) can influence the enzymatic activities of liver, the effect of SS on the urea and albumin synthesis are empirically modeled through the mechanotransduction mechanisms. The results demonstrate that the rheology and dynamics of the sinusoid flow can significantly affect... 

A new efficient catalytic system was investigated for the epoxidation of various olefins by cis-dioxo-bis[2-(2′-hydroxyphenyl)-oxazolinato]molybdenum(VI), cis-[MoO2(phox)2], and TBHP as oxidizing agent. Using this system as catalyst for the oxidation of aliphatic substrates at 80 °C gives the epoxide as the sole product with yields up to 100% and turnover frequency up to 5000 h-1. The efficiency of the catalyst is strongly influenced by the nature of solvent, reaction time and temperature, and a significant increase in the epoxide yields is observed in higher temperatures and longer reaction times. © 2009 Elsevier B.V  

Ostracism has been recognized as conceptually and empirically distinct from harassment. Drawing from theory and research that suggests that employees have a strong need to belong in their organizations, we examine the comparative frequency and impact of ostracism and harassment in organizations across three field studies. Study 1 finds that a wide range of employees perceive ostracism, compared with harassment, to be more socially acceptable, less psychologically harmful, and less likely to be prohibited in their organization. Study 2 surveyed employees from a variety of organizations to test our theory that ostracism is actually a more harmful workplace experience than harassment.... 

This work presents an innovative design for a flow-through dielectrophoretic cell sorting based on silicon bulk microelectrodes featuring sidewall undercuts. The microelectrodes are configured into an interdigitated array with digits extending across the flow chamber at an oblique angle against the flow stream. Target cells under dielectrophoretic forces and hydrodynamic drag can slide along the digits to a dedicated outlet. The design has been showcased for continuous-flow sorting of viable and non-viable mammalian cells, achieving a throughput of 16,600 cells/min, an order of magnitude higher than those reported for existing continuous-flow cell sorting designs using thin-film or... 

The search for efficient chemotherapy drugs and other anti-cancer treatments would benefit from a deeper understanding of the tumor microenvironment (TME) and its role in tumor progression. Because in vivo experimental methods are unable to isolate or control individual factors of the TME and in vitro models often do not include all the contributing factors, some questions are best addressed with systems biology mathematical models. In this work, we present a new fully-coupled, agent-based, multi-scale mathematical model of tumor growth, angiogenesis and metabolism that includes important aspects of the TME spanning subcellular-, cellular- and tissue-level scales. The mathematical model is... 

Sets of rosettes of stress probes have been performed on Hostun sand in a flexible boundary true triaxial apparatus. These have shown the effect of stress history on the local distortional stiffness of the sand. Histories have included isotropic compression, and deviatoric paths with increasingly complex shapes. These tests were performed and interpreted against a background of kinematic hardening and bounding surface plasticity, using stress response envelopes to reveal evolving distortional stiffness. Use of response envelopes to study volumetric stiffness appears to be less helpful but the phase transformation surfaces that can be extracted seem somewhat independent of recent stress... 

Atomic emission detection (AED) is a sensitive as well as a selective detection technique for gas chromatography (GC) and provides element-specific information. A rapidly increasing number of applications in many different areas illustrates the versatility and analytical power of the technique - especially when complex samples have to be analysed. The complementary use of GC-AED and GC with mass-spectrometric detection often yields the most rewarding results. © 2002 Published by Elsevier Science B.V. All rights reserved  

Oil spills are serious environmental issues that potentially can cause adverse effects on marine ecosystems. In some marine areas, like the Baltic Sea, there is a large number of wrecks from the first half of the 20th century, and recent monitoring and field work have revealed release of oil from some of these wrecks. The risk posed by a wreck is governed by its condition, hazardous substances contained in the wreck and the state of the surrounding environment. Therefore, there is a need for a common standard method for estimating the risks associated with different wrecks. In this work a state-of-the-art model is presented for spatial and stochastic risk assessment of oil spills from... 

A resin-bound 1,2,4-triazolium ionic tag has been used as support for the preparation of solid palladium nanoparticles (Pd(0)-POLI-TAG-Pd). Owing to the pincer-type architecture of the triazolium ligand, the stabilization of a high amount of palladium nanoparticles (16 wt %) has been possible. The catalytic system has been fully characterized and used in low amounts (i.e., 0.1 mol % palladium loading) in representative Heck-Mizoroki cross-coupling processes. A negligible release of the metal was demonstrated, and a high activity was obtained over more runs. Besides, the protocol has been optimized for the use of safe biomass-derived γ-valerolactone reaction medium  

Novel molybdenum complex, cis-[MoO2(phox)2] has been synthesized and characterized by IR, 1H NMR, elemental analyses (CHN), and X-ray molecular structure determination methods. This complex was found to be an efficient, selective catalyst for the oxidation of various sulfides to sulfoxides with urea hydrogen peroxide (UHP) in excellent yields (100% for diallylsulfide) and short reaction times (20 min) at room temperature. The catalytic system oxidizes diallylsulfide chemoselectively to its corresponding sulfoxide without any over oxidation in double bond. © 2007 Elsevier B.V. All rights reserved  

A solution-processed, bottom-up nanowire network electrode is developed and employed in a bulk heterojunction colloidal quantum dot solar cell. The electrode features a ZnO template which is converted into locally connected, infi ltratable TiO2 nanowires. The new electrode allows the application of a thicker light absorbing fi lm without compromising the charge extraction, as reported by Edward H. Sargent, Ghassan Jabbour, and co-workers on page 1769. The frontispiece shows schematically the electrode shape and the resultant device architecture  

Understanding the time water takes as it moves from rain or snowmelt through the terrestrial system to arrive as stream discharge, or evapotranspiration (ET) is an important hydrologic quantity. We develop a Lagrangian particle tracking method to capture transient residence times from source to either ET or outflow in an integrated hydrologic model. This method is parallel and efficiently captures time evolution of parcels of water in the model and tracks the source of water for hydrograph or ET separation. We demonstrate this model using hypothetical hillslope simulations driven by snow or rain dominated forcing and two different land cover types. We show that land cover and forcing both... 

In order to generate adequate electricity energy, conventional power plants utilize dramatic volume of water resources. Different methods such as replacing cutting-edge technologies of facilities have been proposed to diminish water consumption in this industry. Most of the approaches are considered as medium or long-term solution which requires substantial investment costs. Meanwhile, because of the process and technology, natural gas-fired power plants need less water among conventional power plants. Therefore, shifting unit commitment planning toward these power plants would aid to save water consumption. Nevertheless, overlooking combined cycle power plants can perform negative impact on... 

The synthesis of a Mo(VI) Schiff base complex, cis-[MoO2{(4,6-bis(tert-butyl)-2-{(benzyl)iminomethyl}phenolate)2}], cis-[MoO2(L)2] where L = 4,6-bis(tert-butyl)-2-{(benzyl)iminomethyl}phenol, derived from benzylamine and 3,5-di-tert-butylsalycilaldehyde is reported. Full characterization of this complex was accomplished with elemental analyses, spectroscopic studies (NMR, IR and electronic) and X-ray structure analysis. This complex was tested as a catalyst for the homogeneous oxidation of olefins. The Mo(VI) complex is catalytically active for the epoxidation of aliphatic substrates at 80 °C, yielding the epoxide as the sole product in yields up to 100% and turnover numbers up to 5000....