scholarly journals Computational Insight on the Interaction of Common Blood Proteins with Gold Nanoparticles

2021 ◽  
Vol 22 (16) ◽  
pp. 8722
Author(s):  
Francesco Tavanti ◽  
Maria Cristina Menziani

Protein interactions with engineered gold nanoparticles (AuNPs) and the consequent formation of the protein corona are very relevant and poorly understood biological phenomena. The nanoparticle coverage affects protein binding modalities, and the adsorbed protein sites influence interactions with other macromolecules and cells. Here, we studied four common blood proteins, i.e., hemoglobin, serum albumin, α1-antiproteinase, and complement C3, interacting with AuNPs covered by hydrophobic 11-mercapto-1-undecanesulfonate (MUS). We use Molecular Dynamics and the Martini coarse−grained model to gain quantitative insight into the kinetics of the interaction, the physico-chemical characteristics of the binding site, and the nanoparticle adsorption capacity. Results show that proteins bind to MUS−capped AuNPs through strong hydrophobic interactions and that they adapt to the AuNP surfaces to maximize the contact surface, but no dramatic change in the secondary structure of the proteins is observed. We suggest a new method to calculate the maximum adsorption capacity of capped AuNPs based on the effective surface covered by each protein, which better represents the realistic behavior of these systems.

Langmuir ◽  
2020 ◽  
Vol 36 (44) ◽  
pp. 13356-13363
Author(s):  
Md Symon Jahan Sajib ◽  
Pranab Sarker ◽  
Yong Wei ◽  
Xiuping Tao ◽  
Tao Wei

2020 ◽  
Author(s):  
Md Symon Jahan Sajib ◽  
Pranab Sarker ◽  
Yong Wei ◽  
Xiuping Tao ◽  
Tao Wei

2018 ◽  
Vol 37 (1-2) ◽  
pp. 77-94 ◽  
Author(s):  
Soumahoro Gueu ◽  
Gisèle Finqueneisel ◽  
Thierry Zimny ◽  
Danièle Bartier ◽  
Benjamin Kouassi Yao

Adsorption behaviours of humic acid on three natural clays from Ivory Coast were studied. In order to investigate the adsorption mechanism, characterization of clays and the humic acid–clay complex was conducted by using various analytical methods (attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), X-ray diffraction (XRD), specific surface area analysis (BET) and chemical composition). As a result, adsorption process showed that the maximum adsorption capacity of humic acid was achieved at pH = 3 and was found to be to 115 mg/g obtained for the best sample. For all clays, the adsorption was found to be strongly dependent on pH and well fitted by the Langmuir model. In addition, it was shown that the adsorption capacity was linked to the kaolinite content of each sample. The results showed that humic acid adsorption onto clay was made via electrostatic interactions, ligand exchange and hydrophobic interactions. This study showed that clays are valuable adsorbents for the removal of humic acid.


2020 ◽  
Author(s):  
Rebecca L. Pinals ◽  
Darwin Yang ◽  
Daniel J. Rosenberg ◽  
Tanya Chaudhary ◽  
Andrew R. Crothers ◽  
...  

AbstractWhen a nanoparticle enters a biological environment, the surface is rapidly coated with proteins to form a “protein corona”. Presence of the protein corona surrounding the nanoparticle has significant implications for applying nanotechnologies within biological systems, affecting outcomes such as biodistribution and toxicity. Herein, we measure protein corona formation on single-stranded DNA wrapped single-walled carbon nanotubes (ssDNA-SWCNTs), a high-aspect ratio nanoparticle ideal for sensing and delivery applications, and polystyrene nanoparticles, a model nanoparticle system. The protein corona of each nanoparticle is studied in human blood plasma and cerebrospinal fluid. We characterize corona composition by proteomic mass spectrometry to determine abundant and differentially enriched vs. depleted corona proteins. High-binding corona proteins on ssDNA-SWCNTs include proteins involved in lipid binding and transport (clusterin and apolipoprotein A-I), complement activation (complement C3), and blood coagulation (fibrinogen). Of note, albumin is the most common blood protein (55% w/v), yet exhibits low-binding affinity towards ssDNA-SWCNTs, displaying 1300-fold lower bound concentration relative to native plasma. We investigate the role of electrostatic and entropic interactions driving selective protein corona formation, and find that hydrophobic interactions drive inner corona formation, while shielding of electrostatic interactions allows for outer corona formation. Lastly, we study real-time binding of proteins on ssDNA-SWCNTs and find relative agreement between proteins that are enriched and bind strongly, such as fibrinogen, and proteins that are depleted and bind marginally, such as albumin. Interestingly, certain proteins express contrary behavior in single-protein experiments than within the whole biofluid, highlighting the importance of cooperative mechanisms driving selective corona adsorption on the SWCNT surface. Knowledge of the protein corona composition, dynamics, and structure informs translation of engineered nanoparticles from in vitro design to effective in vivo application.


2020 ◽  
Vol 71 (1) ◽  
pp. 1-12
Author(s):  
Salman H. Abbas ◽  
Younis M. Younis ◽  
Mohammed K. Hussain ◽  
Firas Hashim Kamar ◽  
Gheorghe Nechifor ◽  
...  

The biosorption performance of both batch and liquid-solid fluidized bed operations of dead fungal biomass type (Agaricusbisporus ) for removal of methylene blue from aqueous solution was investigated. In batch system, the adsorption capacity and removal efficiency of dead fungal biomass were evaluated. In fluidized bed system, the experiments were conducted to study the effects of important parameters such as particle size (701-1400�m), initial dye concentration(10-100 mg/L), bed depth (5-15 cm) and solution flow rate (5-20 ml/min) on breakthrough curves. In batch method, the experimental data was modeled using several models (Langmuir,Freundlich, Temkin and Dubinin-Radushkviechmodels) to study equilibrium isotherms, the experimental data followed Langmuir model and the results showed that the maximum adsorption capacity obtained was (28.90, 24.15, 21.23 mg/g) at mean particle size (0.786, 0.935, 1.280 mm) respectively. In Fluidized-bed method, the results show that the total ion uptake and the overall capacity will be decreased with increasing flow rate and increased with increasing initial concentrations, bed depth and decreasing particle size.


2011 ◽  
Vol 340 ◽  
pp. 236-240
Author(s):  
Jian Feng Ma ◽  
Jian Ming Yu ◽  
Bing Ying Cui ◽  
Ding Long Li ◽  
Juan Dai

Inorganic-organic-bentonite was synthesized by modification of bentonite by Hydroxy-iron and surfactant, which could be applied in dye removal by adsorption and catalysis. The removal of acid dye Orange II was studied at various factors such as time and pH of solution. The results showed that the inorganic-organic-bentonite could efficiently remove the dye with efficiency of 96.22%. The maximum adsorption capacity is 76 mg/g. The pH of solution has significant effect on both adsorption and catalysis. When pH was 4, the maximum removal efficiency of adsorption and catalysis were 97.57% and 87.23%, respectively. After degradation, the secondary pollution was diminished and the bentonite could be reused.


J ◽  
2021 ◽  
Vol 4 (2) ◽  
pp. 193-205
Author(s):  
Opeyemi A. Oyewo ◽  
Sam Ramaila ◽  
Lydia Mavuru ◽  
Taile Leswifi ◽  
Maurice S. Onyango

The presence of toxic metals in surface and natural waters, even at trace levels, poses a great danger to humans and the ecosystem. Although the combination of adsorption and coagulation techniques has the potential to eradicate this problem, the use of inappropriate media remains a major drawback. This study reports on the application of NaNO2/NaHCO3 modified sawdust-based cellulose nanocrystals (MCNC) as both coagulant and adsorbent for the removal of Cu, Fe and Pb from aqueous solution. The surface modified coagulants, prepared by electrostatic interactions, were characterized using Fourier transform infrared, X-ray diffraction (XRD), and scanning electron microscopy/energy-dispersive spectrometry (SEM/EDS). The amount of coagulated/adsorbed trace metals was then analysed using inductively coupled plasma atomic emission spectroscopy (ICP-AES). SEM analysis revealed the patchy and distributed floccules on Fe-flocs, which was an indication of multiple mechanisms responsible for Fe removal onto MCNC. A shift in the peak position attributed to C2H192N64O16 from 2θ = 30 to 24.5° occurred in the XRD pattern of both Pb- and Cu-flocs. Different process variables, including initial metal ions concentration (10–200 mg/L), solution pH (2–10), and temperature (25–45 °C) were studied in order to investigate how they affect the reaction process. Both Cu and Pb adsorption followed the Langmuir isotherm with a maximum adsorption capacity of 111.1 and 2.82 mg/g, respectively, whereas the adsorption of Fe was suggestive of a multilayer adsorption process; however, Fe Langmuir maximum adsorption capacity was found to be 81.96 mg/g. The sequence of trace metals removal followed the order: Cu > Fe > Pb. The utilization of this product in different water matrices is an effective way to establish their robustness.


Polymers ◽  
2021 ◽  
Vol 13 (9) ◽  
pp. 1422
Author(s):  
Viktor V. Revin ◽  
Alexander V. Dolganov ◽  
Elena V. Liyaskina ◽  
Natalia B. Nazarova ◽  
Anastasia V. Balandina ◽  
...  

Currently, there is an increased demand for biodegradable materials in society due to growing environmental problems. Special attention is paid to bacterial cellulose, which, due to its unique properties, has great prospects for obtaining functional materials for a wide range of applications, including adsorbents. In this regard, the aim of this study was to obtain a biocomposite material with adsorption properties in relation to fluoride ions based on bacterial cellulose using a highly productive strain of Komagataeibacter sucrofermentans H-110 on molasses medium. Films of bacterial cellulose were obtained. Their structure and properties were investigated by FTIR spectroscopy, NMR, atomic force microscopy, scanning electron microscopy, and X-ray structural analysis. The results show that the fiber thickness of the bacterial cellulose formed by the K. sucrofermentans H-110 strain on molasses medium was 60–90 nm. The degree of crystallinity of bacterial cellulose formed on the medium was higher than on standard Hestrin and Schramm medium and amounted to 83.02%. A new biocomposite material was obtained based on bacterial cellulose chemically immobilized on its surface using atomic-layer deposition of nanosized aluminum oxide films. The composite material has high sorption ability to remove fluoride ions from an aqueous medium. The maximum adsorption capacity of the composite is 80.1 mg/g (F/composite). The obtained composite material has the highest adsorption capacity of fluoride from water in comparison with other sorbents. The results prove the potential of bacterial cellulose-based biocomposites as highly effective sorbents for fluoride.


Toxics ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 111
Author(s):  
Maria Mihăilescu ◽  
Adina Negrea ◽  
Mihaela Ciopec ◽  
Petru Negrea ◽  
Narcis Duțeanu ◽  
...  

Gold is one of the precious metals with multiple uses, whose deposits are much smaller than the global production needs. Therefore, extracting maximum gold quantities from industrial diluted solutions is a must. Am-L-GA is a new material, obtained by an Amberlite XAD7-type commercial resin, functionalized through saturation with L-glutamic acid, whose adsorption capacity has been proved to be higher than those of other materials utilized for gold adsorption. In this context, this article presents the results of a factorial design experiment for optimizing the gold recovery from residual solutions resulting from the electronics industry using Am-L-GA. Firstly, the material was characterized using atomic force microscopy (AFM), to emphasize the material’s characteristics, essential for the adsorption quality. Then, the study showed that among the parameters taken into account in the analysis (pH, temperature, initial gold concentration, and contact time), the initial gold concentration in the solution plays a determinant role in the removal process and the contact time has a slightly positive effect, whereas the pH and temperature do not influence the adsorption capacity. The maximum adsorption capacity of 29.27 mg/L was obtained by optimizing the adsorption process, with the control factors having the following values: contact time ~106 min, initial Au(III) concentration of ~164 mg/L, pH = 4, and temperature of 25 °C. It is highlighted that the factorial design method is an excellent instrument to determine the effects of different factors influencing the adsorption process. The method can be applied for any adsorption process if it is necessary to reduce the number of experiments, to diminish the resources or time consumption, or for expanding the investigation domain above the experimental limits.


2021 ◽  
Vol 2 (2) ◽  
pp. 245-256
Author(s):  
Priyanka R. Sharma ◽  
Sunil K. Sharma ◽  
Marc Nolan ◽  
Wenqi Li ◽  
Lakshta Kundal ◽  
...  

Raw wood was subjected to sequential oxidation to produce 2,3,6-tricarboxycellulose (TCC) nanofibers with a high surficial charge of 1.14 mmol/g in the form of carboxylate groups. Three oxidation steps, including nitro-oxidation, periodate, and sodium chlorite oxidation, were successfully applied to generate TCC nanofibers from raw wood. The morphology of extracted TCC nanofibers measured using TEM and AFM indicated the average length, width, and thickness were in the range of 750 ± 110, 4.5 ± 1.8, and 1.23 nm, respectively. Due to high negative surficial charges on TCC, it was studied for its absorption capabilities against Pb2+ ions. The remediation results indicated that a low concentration of TCC nanofibers (0.02 wt%) was able to remove a wide range of Pb2+ ion impurities from 5–250 ppm with an efficiency between 709–99%, whereby the maximum adsorption capacity (Qm) was 1569 mg/g with R2 0.69531 calculated from Langmuir fitting. It was observed that the high adsorption capacity of TCC nanofibers was due to the collective effect of adsorption and precipitation confirmed by the FTIR and SEM/EDS analysis. The high carboxylate content and fiber morphology of TCC has enabled it as an excellent substrate to remove Pb2+ ions impurities.


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