Browsing by Subject "Nuclear magnetic resonance"

Now showing 1 - 6 of 6

Open Access
Convection-reaction equation based magnetic resonance electrical properties tomography (cr-MREPT)
(Institute of Electrical and Electronics Engineers Inc., 2014) Hafalir, F. S.; Oran, O. F.; Gurler, N.; Ider, Y. Z.
Images of electrical conductivity and permittivity of tissues may be used for diagnostic purposes as well as for estimating local specific absorption rate distributions. Magnetic resonance electrical properties tomography (MREPT) aims at noninvasively obtaining conductivity and permittivity images at radio-frequency frequencies of magnetic resonance imaging systems. MREPT algorithms are based on measuring the B1 field which is perturbed by the electrical properties of the imaged object. In this study, the relation between the electrical properties and the measured B1 field is formulated for the first time as a well-known convection-reaction equation. The suggested novel algorithm, called 'cr-MREPT,' is based on the solution of this equation on a triangular mesh, and in contrast to previously proposed algorithms, it is applicable in practice not only for regions where electrical properties are relatively constant but also for regions where they vary. The convective field of the convection-reaction equation depends on the spatial derivatives of the B1 field, and in the regions where its magnitude is low, a spot-like artifact is observed in the reconstructed electrical properties images. For eliminating this artifact, two different methods are developed, namely 'constrained cr-MREPT' and 'double-excitation cr-MREPT.' Successful reconstructions are obtained using noisy and noise-free simulated data, and experimental data from phantoms.
Open Access
Cyclodextrin-functionalized mesostructured silica nanoparticles for removal of polycyclic aromatic hydrocarbons
(Academic Press Inc., 2017) Topuz, F.; Uyar, T.
Polycyclic aromatic hydrocarbons (PAHs) are the byproducts of the incomplete combustion of carbon-based fuels, and have high affinity towards DNA strands, ultimately exerting their carcinogenic effects. They are ubiquitous environmental contaminants, and can accumulate on tissues due to their lipophilic nature. In this article, we describe a novel concept for PAH removal from aqueous solutions using cyclodextrin-functionalized mesostructured silica nanoparticles (CDMSNs) and pristine mesostructured silica nanoparticles (MSNs). The adsorption applications of MSNs are greatly restricted due to the absence of surface functional groups on such particles. In this regard, cyclodextrins can serve as ideal functional molecules with their toroidal, cone-type structure, capable of inclusion-complex formation with many hydrophobic molecules, including genotoxic PAHs. The CDMSNs were synthesized by the surfactant-templated, NaOH-catalyzed condensation reactions of tetraethyl orthosilicate (TEOS) in the presence of two different types of cyclodextrin (i.e. hydroxypropyl-β-cyclodextrin (HP-β-CD) and native β-cyclodextrin (β-CD)). The physical incorporation of CD moieties was supported by XPS, FT-IR, NMR, TGA and solid-state 13C NMR. The CDMSNs were treated with aqueous solutions of five different PAHs (e.g. pyrene, anthracene, phenanthrene, fluorene and fluoranthene). The functionalization of MSNs with cyclodextrin moieties significantly boosted the sorption capacity (q) of the MSNs up to ∼2-fold, and the q ranged between 0.3 and 1.65 mg per gram CDMSNs, of which the performance was comparable to that of the activated carbon.
Open Access
DFT studies of CNT-functionalized uracil-acetate hybrids
(Elsevier, 2015) Mirzaei, M.; Gulseren, O.
Calculations based on density functional theory (DFT) have been performed to investigate the stabilities and properties of hybrid structures consisting of a molecular carbon nanotube (CNT) and uracil acetate (UA) counterparts. The investigated models have been relaxed to minimum energy structures and then various physical properties and nuclear magnetic resonance (NMR) properties have been evaluated. The results indicated the effects of functionalized CNT on the properties of hybrids through comparing the results of hybrids and individual structures. The oxygen atoms of uracil counterparts have been seen as the detection points of properties for the CNT-UA hybrids.
Open Access
Left-and right-handed transmission peaks near the magnetic resonance frequency in composite metamaterials
(American Physical Society, 2004) Katsarakis, N.; Koschny, T.; Kafesaki, M.; Economou, E. N.; Özbay, Ekmel; Soukoulis, C. M.
We present free-space microwave measurements on composite metamaterials (CMMs) consisting of split ring resonators (SRRs) and wires either on the same dielectric board or on alternating boards. Our experimental results disprove the widely held belief that the occurrence of a CMM transmission peak within the stop bands of the SRRs alone and wires alone constitutes a clear demonstration of left-handed (LH) behavior. This belief is based on the assumption that the stop bands of SRRs alone and wires alone are not affected by the simultaneous presence of both. We show here that this assumption is wrong: The effective plasma frequency, ω′p, of the CMM is actually substantially lower than the wires-only plasma frequency, ωp; furthermore, the in-plane wires, as opposed to the off-plane case, push the magnetic resonance frequency of the SRRs, ωm, to a higher value, ω′m, for the CMM. We conclude that the criterion for deciding whether a peak in the transmission spectrum through a CMM is really left-handed is for the peak to be located above ω′m and below ω′p. Our results provide a definite way for experimentally identifying ω′p.
Open Access
Molecular entrapment of volatile organic compounds (VOCs) by electrospun cyclodextrin nanofibers
(Elsevier, 2016-02) Celebioglu A.; Sen, H. S.; Durgun, Engin; Uyar, Tamer
In this paper, we reported the molecular entrapment performance of hydroxypropyl-beta-cyclodextrin (HPβCD) and hydroxypropyl-gamma-cyclodextrin (HPγCD) electrospun nanofibers (NF) for two common volatile organic compounds (VOCs); aniline and benzene. The encapsulation efficiency of CD samples were investigated depending on the various factors such as; CD form (NF and powder), electrospinning solvent (DMF and water), CD (HPβCD and HPγCD) and VOCs (aniline and benzene) types. BET analysis indicated that, electrospun CD NF have higher surface area compared to their powder form. In addition DMA measurement provided information about the mechanical properties of CD NF. The encapsulation capability of CD NF and CD powder was investigated by 1H-NMR and HPLC techniques. The observed results suggested that, CD NF can entrap higher amount of VOCs from surroundings compared to their powder forms. Besides, molecular entrapment efficiency of CD NF also depends on CD, solvent and VOCs types. The inclusion complexation between CD and VOCs was determined by using TGA technique, from the higher decomposition temperature of VOCs. Finally, our results were fortified by the modeling studies which indicated the complexation efficiency variations between CD and VOC types. Here, the inclusion complexation ability of CD molecules was combined with very high surface area and versatile features of CD NF. So these findings revealed that, electrospun CD NF can serve as useful filtering material for air filtration purposes due to their molecular entrapment capability of VOCs.
Open Access
Secondary structure prediction of beta-hairpin peptide tryptophan zipper-I
(2008) Gökoǧlu G.; Çelik, T.
We have investigated the folding properties of tryptophan zipper-I molecule which folds into a stable β-hairpin motif in aqueous solution as suggested by nuclear magnetic resonance (NMR) experiments. An all-atom presentation, including hydrogen, was used with an implicit solvent. As a simulation technique, simulated tempering algorithm was used to obtain equilibrium conformations of the molecule at ten distinct temperatures. Our minimum energy configuration obtained from simulated tempering algorithm is a β-hairpin motif with 1.30 Å backbone root-mean-square deviation from the reference PDB structure (1le0.pdb). Several quantities and exhaustive folding free energy landscapes were determined and discussed in order to clarify the folding behavior. © 2008 Elsevier Ltd. All rights reserved.