Search for: glucosamine
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    DFT/B3LYP study of thermochemistry of D-glucosamine, a representative polyfunctional bioorganic compound

    , Article Scientia Iranica ; Volume 15, Issue 4 , 2008 , Pages 422-429 ; 10263098 (ISSN) Fattahi, A ; Ghorat, M ; Pourjavadi, A ; Kurdtabar, M ; Torabi, A. A ; Sharif University of Technology
    Sharif University of Technology  2008
    D-glucosamine, as a representative polyfunctional compound, is a bioactive amino sugar. In this study, the gas phase thermochemical properties of D-glucosamine, including its Metal Ion Affinity (MIA), metal binding sites, Anion Affinity (AA), acidity and proton affinity, have been explored, using the Density Functional Theory (DFT) and a 6-311++G**basis set. The summary of the MIA and AA results (in kcal/mol-1) are: Li+ = 67.6, Na+ = 51.1, K+ = 37.3, Mg2+ = 207.9, Ca2+ = 150.4, Zn2+ = 251.2, Cl- = 27.4, CN- = 28.0. The acidity values calculated at different sites, including four -OH groups and one -NH2 group, range from 344.0 to 373.0 kcal/mol-1. These results, surprisingly, indicate how... 

    Comparison of acidity and metal ion affinity of D-Glucosamine and N-acetyl-D-glucosamine, a DFT study

    , Article Journal of Molecular Graphics and Modelling ; Volume 98 , April , 2020 Mosapour Kotena, Z ; Fattahi, A ; Sharif University of Technology
    Elsevier Inc  2020
    The derivatives of glucose such as glucosamine (β-D-GlcN) and N-acetyl-D-β-glucosamine (GlcNAc) are significant in several biological systems. D-GlcN has been used widely to treat osteoarthritis in humans and animal models as well as GlcNAc has been proposed as a treatment for autoimmune diseases. The DFT/B3LYP/6–311++G (d,p) method as well as QTAIM and NBO analyses were used to the acidity values of D-GlcN and GlcNAc sugars and their complexes with alkali ions in the gas phase. The Li+, Na+ and K+ prefer bi-dentate chelate in these complexes. The computed results indicate that metal ion affinity (MIA) in GlcNAc is higher than that in D-GlcN. There are direct correlations between the MIA... 

    Graphene aerogel nanoparticles for in-situ loading/pH sensitive releasing anticancer drugs

    , Article Colloids and Surfaces B: Biointerfaces ; Volume 186 , 2020 Ayazi, H ; Akhavan, O ; Raoufi, M ; Varshochian, R ; Hosseini Motlagh, N. S ; Atyabi, F ; Sharif University of Technology
    Elsevier B.V  2020
    Free polymer graphene aerogel nanoparticles (GA NPs) were synthesized by using reduction/aggregation of graphene oxide (GO) sheets in the presence of vitamin C (as a biocompatible reductant agent) at a low temperature (40 °C), followed by an effective sonication. Synthesis of GA NPs in doxorubicin hydrochloride (DOX)-containing solution results in the simultaneous synthesis and drug loading with higher performance (than that of the separately synthesized and loaded samples). To investigate the mechanism of loading and the capability of GA NPs in the loading of other drug structures, two groups of ionized (DOX, Amikacin sulfate and, D-glucosamine hydrochloride) and non-ionized (Paclitaxel... 

    Disc size markedly influences concentration profiles of intravenously administered solutes in the intervertebral disc: A computational study on glucosamine as a model solute

    , Article European Spine Journal ; Vol. 23, issue. 4 , April , 2014 , p. 715-723 Motaghinasab, S ; Shirazi-Adl, A ; Parnianpour, M ; Urban, J. P. G ; Sharif University of Technology
    Purpose: Tests on animals of different species with large differences in intervertebral disc size are commonly used to investigate the therapeutic efficacy of intravenously injected solutes in the disc. We hypothesize that disc size markedly affects outcome. Methods: Here, using a small non-metabolized molecule, glucosamine (GL) as a model solute, we calculate the influence of disc size on transport of GL into rat, rabbit, dog and human discs for 10 h post intravenous-injection. We used transient finite element models and considered an identical GL supply for all animals. Results: Huge effects of disc size on GL concentration profiles were found. Post-injection GL concentration in the rat... 

    Computational pharmacokinetics of solute penetration into human intervertebral discs-Effects of endplate permeability, solute molecular weight and disc size

    , Article Journal of Biomechanics ; Volume 45, Issue 13 , 2012 , Pages 2195-2202 ; 00219290 (ISSN) Motaghinasab, S ; Shirazi Adl, A ; Urban, J. P. G ; Parnianpour, M ; Sharif University of Technology
    A finite element model is developed to predict the penetration time-history of three different solutes into the human lumbar disc following intravenous injection. Antibiotics are routinely administered intravenously in spinal surgery to prevent disc infection. Successful prophylaxis requires antibiotics to reach adequate inhibitory levels. Here, the transient diffusion of cephazolin is investigated over 10. h post-injection in a human disc model subject to reported concentrations in the blood stream as the prescribed boundary sources. Post-injection variation of cephazolin concentrations in the disc adjacent to supply sources closely followed the decay curve in the blood stream and fell... 

    Doxorubicin-conjugated D-glucosamine- and folate- bi-functionalised InP/ZnS quantum dots for cancer cells imaging and therapy

    , Article Journal of Drug Targeting ; Volume 26, Issue 3 , 2018 , Pages 267-277 ; 1061186X (ISSN) Ranjbar Navazi, Z ; Eskandani, M ; Johari Ahar, M ; Nemati, A ; Akbari, H ; Davaran, S ; Omidi, Y ; Sharif University of Technology
    Taylor and Francis Ltd  2018
    Nanoscaled quantum dots (QDs), with unique optical properties have been used for the development of theranostics. Here, InP/ZnS QDs were synthesised and functionalised with folate (QD-FA), D-glucosamine (QD-GA) or both (QD-FA-GA). The bi-functionalised QDs were further conjugated with doxorubicin (QD-FA-GA-DOX). Optimum Indium to fatty acid (In:MA) ratio was 1:3.5. Transmission electron microscopy (TEM) micrographs revealed spherical morphology for the QDs (11 nm). Energy-dispersive spectroscopy (EDS) spectrum confirmed the chemical composition of the QDs. MTT analysis in the OVCAR-3 cells treated with bare QDs, QD-FA, QD-GA, QD-FA-GA and QD-FA-GA-DOX (0.2 mg/mL of QDs) after 24 h indicated... 

    An improved synthesis and preliminary biodistribution study of a technetium-99m-labeled2-amino-2-deoxy(thioacetyl)-D-glucose complex ([ 99mTc]-TA-DG) as a tumor imaging agent

    , Article Iranian Journal of Nuclear Medicine ; Volume 15, Issue 28 , 2007 , Pages 43-48 ; 16812824 (ISSN) Johari Daha, F ; Sadeghzadeh, M ; Charkhlooie, G ; Haghir Ebrahimabadi, K ; Saeedi, M. R ; Sharif University of Technology
    Introduction: This report describes the synthesis of 2-Amino-2-deoxy(S- benzoylthioacetyl)-D-glucose (S-Bz-TA-DG), radiolabeled with [ 99mTc(CO)3(OH2)3]+ complex with a procedure including deprotection of the benzoyl group, characterization by HPLC using a C18 reverse phase column and preliminary biodistribution study in normal mice. Methods: [99mTc(CO) 3(H2O)3]+ complex was used to label TA-DG with 99mTc. This complex was prepared using up to 46 mCi of Na99mTcO4 in 1mL saline. The radiochemical purity (>95%) was determined by TLC in normal saline solution as the mobile phase. Radio-HPLC analysis of [99mTc]-(TA-DG) at pH=9.5-10, revealed that labeling with 99mTc resulted in the formation of... 

    A noninvasive urine metabolome panel as potential biomarkers for diagnosis of t cell-mediated renal transplant rejection

    , Article OMICS A Journal of Integrative Biology ; Volume 24, Issue 3 , March , 2020 , Pages 140-147 Kalantari, S ; Chashmniam, S ; Nafar, M ; Samavat, S ; Rezaie, D ; Dalili, N ; Sharif University of Technology
    Mary Ann Liebert Inc  2020
    Acute T cell-mediated rejection (TCMR)is a major complication after renal transplantation. TCMR diagnosis is very challenging and currently depends on invasive renal biopsy and nonspecific markers such as serum creatinine. A noninvasive metabolomics panel could allow early diagnosis and improved accuracy and specificity. We report, in this study, on urine metabolome changes in renal transplant recipients diagnosed with TCMR, with a view to future metabolomics-based diagnostics in transplant medicine. We performed urine metabolomic analyses in three study groups: (1) 7 kidney transplant recipients with acute TCMR, (2) 15 kidney transplant recipients without rejection but with impaired kidney...