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Size dependence and effect of potential parameters on properties of nano-cavities in liquid xenon using molecular dynamics simulation
, Article Chemical Physics ; Volume 381, Issue 1-3 , March , 2011 , Pages 44-48 ; 03010104 (ISSN) ; Abroshan, H ; Taherkhani, F ; Izanloo, C ; Parsafar, G. A ; Sharif University of Technology
2011
Abstract
We have investigated the size dependence of a nano-cavity properties produced in a Xe fluid using molecular dynamics simulations. We have created a nano-cavity of different sizes at 170 and 200 K (cavities diameters are within 1-10 nm). Liquid pressure, vapor pressure and surface tension of the nano-cavity for some given values of diameter are calculated. Within 1-10 nm cavity diameter, we have observed two opposite behavior for dependency of surface tension on the cavity diameter: for the range of 1-5 nm, it increases with the diameter, while, for the range of 5-10 nm remains constant. Also, the value of liquid pressure becomes less negative, when the size of cavity increases. Vapor...
Adaptive Robust Control of Floating Offshore Wind Turbines
, M.Sc. Thesis Sharif University of Technology ; Sadati, Nasser (Supervisor)
Abstract
Nowadays, modern life needs energy resources. In the last few centuries, countries have focused on the use of fossil fuels. However, excessive use of fossil fuels, such as oil and coal, has resulted in enormous environmental hazards. Global warming and air pollution are the most visible manifestations of these hazards. In recent years, energy researchers have been looking for alternative sources. The result of this approach is to pay attention to clean and renewable resources such as wind energy.Wind turbines are used to generate electrical energy out of wind. Among the different types, floating offshore wind turbines have been mostly considered because of various benefits. However, they...
Development of Optimal Model of Water, Materials, Energy and Environment in Greenhouse Cultivation with Emphasis on Water, Materials and Energy Recovery
, M.Sc. Thesis Sharif University of Technology ; Saboohi, Yadollah (Supervisor)
Abstract
The purpose of this study is to develop a new optimal solution method for controlling the greenhouse climate and minimizing energy demand for heating and cooling the greenhouse. As greenhouses move towards more advanced structures and technologies, the need for advanced control will be more important in order to reduce energy consumption. More comprehensive and accurate mathematical models are needed for complex systems, multiple inputs and multiple outputs to make system behavior perform better and more efficiently. In this research, a new method has been developed for optimal control of the greenhouse and a specific greenhouse climate model is used which is based on optimal closed loop...
Investigation of I the Stability of B-DNA Molecule: A Molecular Dynamics Simulation
, Ph.D. Dissertation Sharif University of Technology ; Parsafar, Gholam Abbas (Supervisor)
Abstract
In this thesis, the molecular dynamics simulation is used to investigate the melting transition of B-DNA molecule, via of configurational entropy, the fraction of broken hydrogen bonds (f-curve) and hydrogen bonding energy.We have performed molecular dynamics simulation on Drew-Dickerson oligomer with sequence of (CGCGAATTGCGC) at different temperatures, within the range of 280-400 K with the 20 K intervals. The simulation was done in two different mediums (pure water and 1 M NaCl), to see influences of water and salt in stabilizing the DNA molecule. At each temperature, configurational entropy is calculated by the Schlitter’s formula, using the Cartesian coordinate of all atoms. So, in each...
Calculation of melting temperature and transition curve for dickerson DNA dodecamer on the basis of configurational entropy, hydrogen bonding energy, and heat capacity: A molecular dynamics simulation study
, Article Journal of the Iranian Chemical Society ; Volume 8, Issue 3 , 2011 , Pages 708-716 ; 1735207X (ISSN) ; Parsafar, G. A ; Abroshan, H ; Akbarzade, H ; Sharif University of Technology
2011
Abstract
A familiarity with denaturation process is highly significant in understanding the DNA replication, manipulation, and interactions involving DNA double helix stability. We have performed molecular dynamics simulation on B-DNA duplex (CGCGAATTGCGC) at different temperatures. At each temperature, configurational entropy was estimated using the covariance matrix of atom-positional fluctuations. By plotting the configuration entropy versus temperature, we calculated the melting temperature which was found to be 329.7 K. We also calculated the hydrogen bonding energy and heat capacity for the atoms participating in the hydrogen bonding between two strands of DNA. Moreover, their temperature...
Denaturation of Drew-Dickerson DNA in a high salt concentration medium: Molecular dynamics simulations
, Article Journal of Computational Chemistry ; Volume 32, Issue 16 , September , 2011 , Pages 3354-3361 ; 01928651 (ISSN) ; Parsafar, G. A ; Abroshan, H ; Akbarzadeh, H ; Sharif University of Technology
2011
Abstract
We have performed molecular dynamics simulation on B-DNA duplex (CGCGAATTGCGC) at different temperatures. The DNA was immerged in a salt-water medium with 1 M NaCl concentration to investigate salt effect on the denaturation process. At each temperature, configurational entropy is estimated using the covariance matrix of atom-positional fluctuations, from which the melting temperature (T m) was found to be 349 K. The calculated configuration entropy for different bases shows that the melting process involves more peeling (including fraying from the ends) conformations, and therefore the untwisting of the duplex and peeling states form the transition state of the denaturation process. There...
Market orientation, market disruptiveness capability and social enterprise performance: An empirical study from the United Kingdom
, Article Journal of Business Research ; Volume 96 , 2019 , Pages 47-60 ; 01482963 (ISSN) ; Kwong, C. C. Y ; Tasavori, M ; Sharif University of Technology
Elsevier Inc
2019
Abstract
This study investigates whether and how the pursuit of certain commercial business practices such as market orientation and market disruptiveness capability improves both the economic performance and social performance of social enterprises. Based on the empirical data collected from 164 UK social enterprises, our results show that market orientation improves social performance and economic performance simultaneously, whereas market disruptiveness capability improves only the economic performance, not the social performance, of social enterprises. However, we found a positive interaction effect of market disruptiveness capability and market orientation on social performance, while its effect...
Design and control of a self-powered hybrid electromagnetic damper
, Article Journal of Sound and Vibration ; Volume 428 , 2018 , Pages 147-167 ; 0022460X (ISSN) ; Chang, C. C ; Bakhshi, A ; Sharif University of Technology
Academic Press
2018
Abstract
In this paper, the characteristics of a hybrid regenerative electromagnetic (EM) damper are first determined and experimentally examined. The main idea is to have two modes of operation for the EM damper, namely passive energy harvesting and semi-active modes. In the passive mode, the vibrational energy of an underlying structure is harvested and stored in a rechargeable battery. The harvested energy can then be employed in the semi-active control mode to supply the power demand for the required sensors and microcontroller. This hybrid damper would thus be capable of realizing the characteristics of a self-powered EM damper. A prototype of the damper was designed and tested under different...
The biomechanical response of the lower cervical spine post laminectomy: geometrically-parametric patient-specific finite element analyses
, Article Journal of Medical and Biological Engineering ; Volume 41 , 29 October , 2020 , Pages 59-70 ; Cheng, C. H ; Wang, J. L ; Niu, C. C ; Parnianpour, M ; Khalaf, K ; Sharif University of Technology
Springer Science and Business Media Deutschland GmbH
2020
Abstract
Purpose: This study aimed to investigate the biomechanical impact of laminectomy on cervical intersegmental motion and load sharing using a parametric patient-specific finite element (FE) model towards providing clinicians with a viable quantitative tool for informed decision-making and improved surgical planning. Methods: Ten subject-specific nonlinear osteo-ligamentous cervical spine (C3–C7) FE models were developed using X-ray image-based algorithms. The models were used to evaluate the effect of laminectomy on lower cervical spine biomechanics for two-level (C3–C4) and three-level (C3–C5) laminectomy procedures. Results: The average cervical spine ranges of motion (ROM) for the pre-op...
The biomechanical response of the lower cervical spine post laminectomy: geometrically-parametric patient-specific finite element analyses
, Article Journal of Medical and Biological Engineering ; Volume 41, Issue 1 , 2021 , Pages 59-70 ; 16090985 (ISSN) ; Cheng, C. H ; Wang, J. L ; Niu, C. C ; Parnianpour, M ; Khalaf, K ; Sharif University of Technology
Springer Science and Business Media Deutschland GmbH
2021
Abstract
Purpose: This study aimed to investigate the biomechanical impact of laminectomy on cervical intersegmental motion and load sharing using a parametric patient-specific finite element (FE) model towards providing clinicians with a viable quantitative tool for informed decision-making and improved surgical planning. Methods: Ten subject-specific nonlinear osteo-ligamentous cervical spine (C3–C7) FE models were developed using X-ray image-based algorithms. The models were used to evaluate the effect of laminectomy on lower cervical spine biomechanics for two-level (C3–C4) and three-level (C3–C5) laminectomy procedures. Results: The average cervical spine ranges of motion (ROM) for the pre-op...
Fraud and corruption : major types, prevention, and control
, Book ; Kratcoski, Peter C. ; Edelbacher, Max
Springer International Publishing AG
2018
Phosphorus transport in intensively managed watersheds
, Article Water Resources Research ; Volume 55, Issue 11 , 2019 , Pages 9148-9172 ; 00431397 (ISSN) ; Boardman, E ; Danesh Yazdi, M ; Finlay, J. C ; Hansen, A. T ; Baker, A. C ; Dalzell, B ; Sharif University of Technology]
Blackwell Publishing Ltd
2019
Abstract
Understanding controls of P movement through watersheds are essential for improved landscape management in intensively managed regions. Here, we analyze observational data from 104 gaged river sites and 176 nongaged river sites within agriculturally dominated watersheds of Minnesota, USA, to understand the role of landscape features, land use practices, climate variability, and biogeochemical processes in total, dissolved and particulate P dynamics at daily to annual scales. Our analyses demonstrate that factors mediating P concentration-discharge relationships varied greatly across watersheds and included near-channel sediment sources, lake and wetland interception, assimilation by algal P,...
Thermodynamic properties of aqueous glucose-urea-salt systems
, Article Journal of Solution Chemistry ; Volume 43, Issue 6 , June , 2014 , Pages 1110-1131 ; ISSN: 00959782 ; Held, C ; Ghotbi, C ; Abdekhodaie, M. J ; Sadowski, G ; Sharif University of Technology
2014
Abstract
In this work, the thermodynamic behavior of aqueous solutions containing the solutes NaCl, glucose, and/or urea is investigated. These substances are vital components for living bodies and further they are main components of blood serum. Osmotic coefficients were determined by cryoscopic measurements in single-solute and multi-solute aqueous solutions containing salts (NaCl, KCl, CaCl2), glucose, and/or urea. The results show that NaCl determines the osmotic coefficients in the urea/glucose/NaCl/water system. Investigation of the effect of different salts on osmotic coefficients revealed ion-specific effects. At physiologically important solute concentrations in typical blood serum...
A methionine chemical shift based order parameter characterizing global protein dynamics
, Article ChemBioChem ; 2020 ; Teixeira, J. M. C ; Paniagua, J. C ; Pons, M ; Sharif University of Technology
Wiley-VCH Verlag
2020
Abstract
Coupling of side chain dynamics over long distances is an important component of allostery. Methionine side chains show the largest intrinsic flexibility among methyl-containing residues but the actual degree of conformational averaging depends on the proximity and mobility of neighboring residues. The 13C NMR chemical shifts of the methyl groups of methionine residues located at long distances in the same protein show a similar scaling with respect to the values predicted from the static X-ray structure by quantum methods. This results in a good linear correlation between calculated and observed chemical shifts. The slope is protein dependent and ranges from zero for the highly flexible...
A methionine chemical shift based order parameter characterizing global protein dynamics
, Article ChemBioChem ; Volume 22, Issue 6 , 2021 , Pages 1001-1004 ; 14394227 (ISSN) ; Teixeira, J. M. C ; Paniagua, J. C ; Pons, M ; Sharif University of Technology
John Wiley and Sons Inc
2021
Abstract
Coupling of side chain dynamics over long distances is an important component of allostery. Methionine side chains show the largest intrinsic flexibility among methyl-containing residues but the actual degree of conformational averaging depends on the proximity and mobility of neighboring residues. The 13C NMR chemical shifts of the methyl groups of methionine residues located at long distances in the same protein show a similar scaling with respect to the values predicted from the static X-ray structure by quantum methods. This results in a good linear correlation between calculated and observed chemical shifts. The slope is protein dependent and ranges from zero for the highly flexible...
High-precision photometry by telescope defocussing - II. the transiting planetary system WASP-4
, Article Monthly Notices of the Royal Astronomical Society ; Volume 399, Issue 1 , 2009 , Pages 287-294 ; 00358711 (ISSN) ; Hinse, T. C ; Burgdorf, M. J ; Dominik, M ; Hornstrup, A ; Jørgensen, U. G ; Liebig, C ; Ricci, D ; Thone, C. C ; Anguita, T ; Bozza, V ; Novati, S. C ; Harpsoe, K ; Mancini, L ; Masi, G ; Mathiasen, M ; Rahvar, S ; Scarpetta, G ; Snodgrass, C ; Surdej, J ; Zub, M ; Sharif University of Technology
2009
Abstract
We present and analyse light curves of four transits of the Southern hemisphere extrasolar planetary system WASP-4, obtained with a telescope defocused so the radius of each point spread function was 17 arcsec (44 pixels). This approach minimizes both random and systematic errors, allowing us to achieve scatters of between 0.60 and 0.88 mmag per observation over complete transit events. The light curves are augmented by published observations and analysed using the jktebop code. The results of this process are combined with theoretical stellar model predictions to derive the physical properties of the WASP-4 system. We find that the mass and radius of the planet are M b = 1.289 +0.090 -0.090...
Polymeric carbon nitride coupled with a molecular thiomolybdate catalyst: Exciton and charge dynamics in light-driven hydrogen evolution
, Article Sustainable Energy and Fuels ; Volume 4, Issue 12 , 2020 , Pages 6085-6095 ; Akbarzadeh, E ; Li, C ; Mitoraj, D ; Krivtsov, I ; Adler, C ; Diemant, T ; Biskupek, J ; Kaiser, U ; Im, C ; Heiland, M ; Jacob, T ; Streb, C ; Dietzek, B ; Beranek, R ; Sharif University of Technology
Royal Society of Chemistry
2020
Abstract
Solar hydrogen evolution from water is a necessary step to overcome the challenges of rising energy demand and associated environmental concerns. Low-cost photocatalytic architectures based on polymeric light absorbers coupled to highly efficient molecular catalysts might represent an attractive platform to address this issue. However, to-date, our mechanistic knowledge of these systems is still largely underdeveloped. In this study, a molecular molybdenum sulfide hydrogen evolving catalyst, [Mo3S13]2-, is loaded onto polymeric carbon nitride (CNx) photoabsorber by impregnation. The resulting composite shows enhanced photocatalytic activity for hydrogen evolution compared to pristine CNx...
Effect of specimen preparation techniques on dynamic properties of unsaturated fine-grained soil at high suctions
, Article Canadian Geotechnical Journal ; Volume 54, Issue 9 , 2017 , Pages 1310-1319 ; 00083674 (ISSN) ; Baghbanrezvan, S ; Sadeghi, H ; Zhou, C ; Jafarzadeh, F ; Sharif University of Technology
Canadian Science Publishing
2017
Abstract
The seismic response of soil depends on proper evaluation and use of soil dynamic properties, including shear modulus and damping ratio at various strain levels. Despite extensive studies on the shear modulus and damping ratio of saturated soils, research on the dynamic properties of unsaturated fine-grained soils — especially at high suction — is limited. This study aims to investigate the dynamic properties of loess at a variety of initial states resulting from different specimen preparation techniques (reconstituted, recompacted, and intact) and their evolutions due to suction-induced desiccation. Results of resonant column tests show that at initial states, the specimen preparation...
Parametrically excited vibration of a timoshenko beam on random viscoelastic foundation jected to a harmonic moving load
, Article Nonlinear Dynamics ; Volume 45, Issue 1-2 , 2006 , Pages 75-93 ; 0924090X (ISSN) ; Kargarnovin, M. H ; Thompson, D. J ; Jones, C. J. C ; Sharif University of Technology
2006
Abstract
The vibration response of a Timoshenko beam supported by a viscoelastic foundation with randomly distributed parameters along the beam length and jected to a harmonic moving load, is studied. By means of the first-order two-dimensional regular perturbation method and employing appropriate Green's functions, the dynamic response of the beam consisting of the mean and variance of the deflection and of the bending moment are obtained analytically in integral forms. Results of a field measurement for a test track are utilized to model the uncertainty of the foundation parameters. A frequency analysis is carried out and the effect of the load speed on the response is studied. It is found that the...
Comments on "Identification of a nonlinear electromagnetic system: An experimental study"
, Article Journal of Sound and Vibration ; Volume 290, Issue 3-5 , 2006 , Pages 1333-1334 ; 0022460X (ISSN) ; Salarieh, H ; Alasty, A ; Chang, S. C ; Tung, P. C ; Sharif University of Technology
Academic Press
2006