Sharif Digital Repository

As the delay time and hence nuclei formation play a crucial role in the pathophysiology of sickle cell disease, MD simulation and molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) calculations have been performed on three systems of hemoglobin; namely dimer of hemoglobin with valine (Hb S), tryptophan (Hbβ6W), and phenylalanine (Hbβ6F) at β6 position. The structural changes due to these aromatic substitutions are investigated. It is shown that β subunits have significant impact on the differences between a dimer and other crystal structures. Transition from a dimer to polymer for Hb S system affects the donor molecule more than that of the acceptor. In the case of donor and... 

A novel colorimetric nanosensor is reported for the selective and sensitive determination of cysteine using magnetic-sulfur, nitrogen graphene quantum dots (Fe3O4/S, N-GQDs), and gold nanoparticles (Au NPs). Thus, S, N-GQDs was firstly immobilized on Fe3O4 nanoparticles through its magnetization in the presence of Fe3+ in the alkali solution. The prepared Fe3O4/S, N-GQDs were dispersed in cysteine solution resulting in its quick adsorption on the surface of the Fe3O4/S, N-GQDs through hydrogen bonding interaction. Then, Au NPs solution was added to this mixture that after a short time, the color of Au NPs changed from red to blue, the intensity of surface plasmon resonance peak of Au NPs at... 

A novel colorimetric nanosensor is reported for the selective and sensitive determination of cysteine using magnetic-sulfur, nitrogen graphene quantum dots (Fe3O4/S, N-GQDs), and gold nanoparticles (Au NPs). Thus, S, N-GQDs was firstly immobilized on Fe3O4 nanoparticles through its magnetization in the presence of Fe3+ in the alkali solution. The prepared Fe3O4/S, N-GQDs were dispersed in cysteine solution resulting in its quick adsorption on the surface of the Fe3O4/S, N-GQDs through hydrogen bonding interaction. Then, Au NPs solution was added to this mixture that after a short time, the color of Au NPs changed from red to blue, the intensity of surface plasmon resonance peak of Au NPs at... 

Magnetite nanoparticles (mean particle size ranging from 10 to 20 nm) were prepared by a biomoleculeassisted solution-phase approach under ultrasonic irradiation. Cysteine was used as the capping agent in the solution. The results show that cysteine could be an efficient biocapping agent in producing Fe3O4 nanoparticles. The crystal structure and magnetic properties of the nanoparticles were characterized by XRD and VSM techniques, respectively. FT-IR was used to investigate the presence of cysteine on the nanoparticles surface. The influence of pH value of the solution on the size distribution and hydrodynamic size of nanoparticles were studied by TEM and DLS methods, respectively. The MTT... 

This study aimed to investigate the effects of Bacillus amyloliquefaciens LFB112 on the growth performance, carcass traits, immune response, and serum biochemical parameters of broiler chickens. A total of 396 1 day old, mixed-sex commercial Ross 308 broilers with similar body weights were allotted into six treatment groups. The assigned groups were the CON group (basal diet with no supplement), AB (antibiotics) group (basal diet + 150 mg of aureomycin/kg), C+M group (basal diet + 5 × 108 CFU/kg B. amyloliquefaciens LFB112 powder with vegetative cells + metabolites), C group (basal diet + 5 × 108 CFU/kg B. amyloliquefaciens LFB112 vegetative cell powder with removed metabolites), M group... 

This study aimed to investigate the effects of Bacillus amyloliquefaciens LFB112 on the growth performance, carcass traits, immune response, and serum biochemical parameters of broiler chickens. A total of 396 1 day old, mixed-sex commercial Ross 308 broilers with similar body weights were allotted into six treatment groups. The assigned groups were the CON group (basal diet with no supplement), AB (antibiotics) group (basal diet + 150 mg of aureomycin/kg), C+M group (basal diet + 5 × 108 CFU/kg B. amyloliquefaciens LFB112 powder with vegetative cells + metabolites), C group (basal diet + 5 × 108 CFU/kg B. amyloliquefaciens LFB112 vegetative cell powder with removed metabolites), M group... 

Bio-sequence comparators are one of the most basic and significant methods for assessing biological data, and so, due to the importance of proteins, protein sequence comparators are particularly crucial. On the other hand, the complexity of the problem, the growing number of extracted protein sequences, and the growth of studies and data analysis applications addressing protein sequences have necessitated the development of a rapid and accurate approach to account for the complexities in this field. As a result, we propose a protein sequence comparison approach, called PCV, which improves comparison accuracy by producing vectors that encode sequence data as well as physicochemical properties... 

Reduced graphene oxide nanoribbons functionalized by amphiphilic polyethylene glycol (rGONR-PEG) were applied to attach arginine-glycine-aspartic acid (RGD)-based peptide and cyanine dye 3 (cy3) for targeting ανβ3 integrin receptors on human glioblastoma cell line U87MG and its selective fluorescence imaging, respectively. The rGONR-PEG suspension with a concentration of 100 μg mL -1 showed ∼14 and 2.4-fold higher near infrared (NIR) absorption at 808 nm than GONR (with dimensions of ∼80 nm × 1 μm) and rGO-PEG sheets (with lateral dimensions of ∼2 μm), respectively. The rGONR-PEG-cy3-RGD exhibited highly efficient NIR photothermal therapy performance (concentrations ≥1.0 μg mL-1 resulted in... 

A recyclable optical nanosensor was developed by immobilizing L-tyrosine functionalized silver nanoparticles (AgNPs) on the polyethylene terephthalate (PET) substrate for rapid determination of Pb2+ ions. At first, the L-tyrosine functionalized AgNPs were assessed in the solution phase; the response time was lower than 15 s, and a limit of detection lower than 9 nM was obtained in the dynamic range of 1–1000 nM. For fabrication of the optical assay kit, the design of experiment (DOE) was used to optimize the immobilization efficiency of the nanoparticles on PET films by studying AgNO3 concentration and pH as two crucial parameters. The assay kit in optimal conditions showed a sharp localized... 

L-tryptophan functionalized AgNPs were successfully fabricated using a one-pot synthesis method and assessed as a colorimetric probe for rapid and accurate determination of Mg2+ ions. The developed sensor showed a selective response towards Mg2+ with no interference from Ca2+ in the wide concentration range of 1–200 µM. The sensor's response was optimized in the pH range of 9–10, which can be attributed to the protonation of amine groups and their interaction with Mg2+ ions. The stability and selectivity of the sensor were examined in different salt (NaCl) and other metal ions, respectively. The L-tryptophan-AgNPs sensor detected Mg2+ with the limit of detection of 3 µM, which is way lower... 

A novel synthesis of 3-substituted rhodanine and thiazolidine-2,4-dione derivatives, starting from aliphatic primary amines, carbon disulfide, and methyl 2-bromoacetate, is described. The reaction proceeds successfully both in water and under solvent-free conditions, but 2-thioxothiazolidin-4-one (rhodanine) derivatives were obtained under solvent free-conditions, and thiazolidine-2,4-dions were formed when water was used as the solvent  

LiClO4 is used as catalyst for direct Mannich-type reaction of aryl aldehydes, aryl amines, and diethyl malonic ester under solvent-free conditions. This three-component reaction afforded the corresponding β-amino esters in good yields with simple and environmentally benign procedure. Copyright © Taylor & Francis Group, LLC  

Nanocomposites of Ce-TZP/Al 2O 3 were synthesized by aqueous combustion, and urea, ammonium acetate and glycine were used as mixtures of fuels with the corresponding metal nitrates. Thermodynamic modeling was conducted to anticipate the effect of the alumina content on the exothermicity of the combustion procedure. The thermodynamic properties of the combustion reaction indicated that as the alumina content increased, the amount of gases produced during the reaction increased with a decrease in the adiabatic temperature. Furthermore, to reduce the particle size of the powders, a series of combustion reactions were performed to optimize the fuel composition and alumina content. Ce 0.1Zr 0.9O... 

The chemical synthesis and in vitro drug delivery response of folate-modified, polyethylene glycol-functionalized gold nanoparticles were studied. Lysine-capped gold nanoparticles were first prepared. Subsequently, the widely used anticancer agent doxorubicin (DOX) was successfully attached to the surface of folate-modified, polyethylene glycol-functionalized gold nanoparticles. Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM) were used to confirm the functionalization and conjugation steps in the chemical synthesis. The DOX-loading efficiency determined by UV-vis spectrometer was 80%. Drug release experiments displayed a controlled-release behavior... 

The screen-printed gold electrode (SPGE) modified with the formation of self-assembly monolayer (SAM) of cysteine (Cys) on gold-nanoparticles (Au nano) was utilized for rapid and simultaneous determination of tetracycline and cefixime antibiotics by square wave voltammetry (SWV). Electrochemical investigation and characterization of the modified electrode was achieved using cyclic voltammetry (CV) and scanning electron microscopy (SEM). A principal component artificial neural network (PCANN) with three layer back-propagation network was utilized for the analysis of the voltammogram data. It is possible to simultaneously determine the tetracycline and cefixime concentrations in the ranges of... 

We examine the interactions of chitosan and polyethylene glycol (PEG) with antimicrobial peptide GF-17 to identify a suitable carrier to improve the peptide drug delivery systems. To this end, the molecular dynamics simulations are used to determine the interactions of a typical antimicrobial peptide GF-17 with the chitosan and PEG polymers. The findings indicate the great potential of the peptide to maintain its secondary structure in the adjacent to chitosan polymers. During the interaction with chitosan polymers, the structure of the peptide has smaller fluctuations compared to the PEG polymers. Also, in the presence of both the polymers, the PEG polymers are situated closer to the... 

Recent insights into the nanomedicine have revealed that nanoplatforms enhance the efficacy of carrier in therapeutic applications. Here, multifunctional nanoplatforms were utilized in miRNA-101 delivery and NIR thermal therapy to induce apoptosis in breast cancer cells. Au nanorods (NRs) or nanospheres (NSs) covered with graphene oxide (GO) were prepared and functionalized with polyethylene glycol as a stabilizer and poly-L-arginine (P-L-Arg) as a targeting agent. In nanoplatforms, coupling Au@GO prepared stable structures with higher NIR reactivity. P-L-Arg substantially enhanced the cellular uptake and gene retardation of stuffs coated by them. However, rod-shape nanoplatforms indicated... 

A mild and practically-convenient one-pot procedure for the direct Mannich reaction has been developed using a condensation of amines, aldehydes and unmodified ketones under solvent free conditions in the presence of Znl 2 with good to excellent yields. The present methodology offers several advantages, such as excellent yields, simple procedures, short reaction times and milder conditions with very small amounts of catalyst. Furthermore, it is the first time that the catalytic activity of several catalysts under solvent free conditions has been studied. It was found that both the diastereoselectivity and the rate of reaction were improved with various Lewis acids and metal oxides. However,... 

The current article discusses some unprecedented information about the improvement in forward osmosis (FO) performance of polyethersulfone/polyamide (PES/PA) membranes, mainly focused on water flux and selectivity along with resistance to fouling phenomenon; which itself is brought in by the introduction of pre-modified zeolitic imidazolate framework-8 MOF nanoparticles. An investigation has been conducted on ZIF-8 nanoparticles surface with hydrophilicity feature to evaluate their potential for utilization in active polyamide layer of FO membranes for the first time, free from any decrease in water flux value (when hydrophobic ZIF-8 is exploited solely) and selectivity (when mSiO2 with... 

In the current study, the prospect improvements on desalination and anti-fouling performance of polyamide (PA)-based TFN membranes modified with MIL-53-NH-Asp have been investigated. MIL-53-NH2 nanoparticles (NPs) have been treated through a single-step post-synthesis modification reaction to enhance the hydrophilicity feature and compatibility with the PA layer. Various concentrations of synthesized NPs were dispersed in an aqueous phase consisting m-phenylenediamine and 2,6-diaminopyridine monomers for incorporation in the PA rejection layer. Analysis data of fabricated membranes provide evidence of changes in their physico-chemical properties after NPs incorporation. In comparison with...