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1.
Int J Mol Sci ; 25(9)2024 Apr 23.
Article in English | MEDLINE | ID: mdl-38731823

ABSTRACT

This study presents the initial attempt at introducing a magnetic molecularly imprinted polymer (MIP) designed specifically for lamotrigine with the purpose of functioning as a drug carrier. First, the composition of the magnetic polymer underwent optimization based on bulk polymer adsorption studies and theoretical analyses. The magnetic MIP was synthesized from itaconic acid and ethylene glycol dimethacrylate exhibiting a drug loading capacity of 3.4 ± 0.9 µg g-1. Structural characterization was performed using powder X-ray diffraction analysis, vibrating sample magnetometry, and Fourier transform infrared spectroscopy. The resulting MIP demonstrated controlled drug released characteristics without a burst effect in the phospahe buffer saline at pH 5 and 8. These findings hold promise for the potential nasal administration of lamotrigine in future applications.


Subject(s)
Drug Carriers , Lamotrigine , Molecularly Imprinted Polymers , Lamotrigine/chemistry , Drug Carriers/chemistry , Molecularly Imprinted Polymers/chemistry , Molecularly Imprinted Polymers/chemical synthesis , Molecular Imprinting/methods , Spectroscopy, Fourier Transform Infrared , Drug Liberation , X-Ray Diffraction , Adsorption , Hydrogen-Ion Concentration
2.
Int J Mol Sci ; 25(9)2024 Apr 26.
Article in English | MEDLINE | ID: mdl-38731960

ABSTRACT

Due to a large number of harmful chemicals flowing into the water source in production and life, the water quality deteriorates, and the use value of water is reduced or lost. Biochar has a strong physical adsorption effect, but it can only separate pollutants from water and cannot eliminate pollutants fundamentally. Photocatalytic degradation technology using photocatalysts uses chemical methods to degrade or mineralize organic pollutants, but it is difficult to recover and reuse. Woody biomass has the advantages of huge reserves, convenient access and a low price. Processing woody biomass into biochar and then combining it with photocatalysts has played a complementary role. In this paper, the shortcomings of a photocatalyst and biochar in water treatment are introduced, respectively, and the advantages of a woody biochar-based photocatalyst made by combining them are summarized. The preparation and assembly methods of the woody biochar-based photocatalyst starting from the preparation of biochar are listed, and the water treatment efficiency of the woody biochar-based photocatalyst using different photocatalysts is listed. Finally, the future development of the woody biochar-based photocatalyst is summarized and prospected.


Subject(s)
Carbon , Charcoal , Water Purification , Wood , Water Purification/methods , Charcoal/chemistry , Catalysis , Wood/chemistry , Carbon/chemistry , Water Pollutants, Chemical/chemistry , Photochemical Processes , Adsorption
3.
Int J Mol Sci ; 25(9)2024 Apr 27.
Article in English | MEDLINE | ID: mdl-38731990

ABSTRACT

This work aimed to describe the adsorption behavior of Congo red (CR) onto activated biochar material prepared from Haematoxylum campechianum waste (ABHC). The carbon precursor was soaked with phosphoric acid, followed by pyrolysis to convert the precursor into activated biochar. The surface morphology of the adsorbent (before and after dye adsorption) was characterized by scanning electron microscopy (SEM/EDS), BET method, X-ray powder diffraction (XRD), and Fourier-transform infrared spectroscopy (FTIR) and, lastly, pHpzc was also determined. Batch studies were carried out in the following intervals of pH = 4-10, temperature = 300.15-330.15 K, the dose of adsorbent = 1-10 g/L, and isotherms evaluated the adsorption process to determine the maximum adsorption capacity (Qmax, mg/g). Kinetic studies were performed starting from two different initial concentrations (25 and 50 mg/L) and at a maximum contact time of 48 h. The reusability potential of activated biochar was evaluated by adsorption-desorption cycles. The maximum adsorption capacity obtained with the Langmuir adsorption isotherm model was 114.8 mg/g at 300.15 K, pH = 5.4, and a dose of activated biochar of 1.0 g/L. This study also highlights the application of advanced machine learning techniques to optimize a chemical removal process. Leveraging a comprehensive dataset, a Gradient Boosting regression model was developed and fine-tuned using Bayesian optimization within a Python programming environment. The optimization algorithm efficiently navigated the input space to maximize the removal percentage, resulting in a predicted efficiency of approximately 90.47% under optimal conditions. These findings offer promising insights for enhancing efficiency in similar removal processes, showcasing the potential of machine learning in process optimization and environmental remediation.


Subject(s)
Bayes Theorem , Charcoal , Congo Red , Machine Learning , Charcoal/chemistry , Adsorption , Congo Red/chemistry , Kinetics , Water Pollutants, Chemical/chemistry , Hydrogen-Ion Concentration , Spectroscopy, Fourier Transform Infrared
4.
Food Res Int ; 186: 114340, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38729695

ABSTRACT

Fruits are essential sources of nutrients in our daily diet; however, their spoilage is often intensified by mechanical damage and the ethylene phytohormone, resulting in significant economic losses and exacerbating hunger issues. To address these challenges, this study presented a straightforward in situ synthesis protocol for producing Z/SOPPU foam, a 3D porous-structured fruit packaging. This innovative packaging material offered advanced ethylene-adsorbing and cushioning capabilities achieved through stirring, heating, and standing treatments. The results demonstrated that the Z/SOPPU foam, with its porous structure, served as an excellent packaging material for fruits, maintaining the intact appearance of tomatoes even after being thrown 72 times from a height of 1.5 m. Additionally, it exhibited desirable hydrophobicity (contact angle of 114.31 ± 0.82°), degradability (2.73 ± 0.88 % per 4 weeks), and efficient ethylene adsorption (adsorption rate of 13.2 ± 1.7 mg/m3/h). These remarkable characteristics could be attributed to the unique 3D micron-porous configuration, consisting of soybean oil polyol polyurethane foam for mechanical strain cushioning and zein for enhanced ethylene adsorption efficiency. Overall, this research offers an effective and original approach to the rational design and fabrication of advanced bio-based fruit packaging.


Subject(s)
Ethylenes , Food Packaging , Fruit , Polyurethanes , Soybean Oil , Zein , Ethylenes/chemistry , Polyurethanes/chemistry , Food Packaging/methods , Porosity , Fruit/chemistry , Soybean Oil/chemistry , Zein/chemistry , Adsorption , Polymers/chemistry , Solanum lycopersicum/chemistry , Hydrophobic and Hydrophilic Interactions
5.
Food Res Int ; 186: 114337, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38729718

ABSTRACT

A major concern for wineries is haze formation in white wines due to protein instability. Despite its prevalent use, the conventional bentonite method has shortcomings, including potential alteration of color and aroma, slow processing times, and notable wine wastage. Zirconium oxide (ZrO2) effectively removes proteins without affecting wine characteristics. However, producing cost-effective ZrO2 materials with efficient protein removal capabilities poses a significant challenge. This research aims to assess the viability of designing a porous material impregnated with zirconia to remove turbidity-causing proteins effectively. For this purpose, the support material alone (Al2O3) and the zirconia-impregnated support (ZrO2/Al2O3) were subjected to different calcination temperatures. It was observed that high-temperature treatments (750 °C) enhanced wine stability and protein adsorption capacity. The optimal adsorbent achieved a notable reduction in turbidity, decreasing the ΔNTU from 42 to 18, alongside a significant 44 % reduction in the total protein content, particularly affecting proteins in the molecular weight range of 10 to 70 kDa. This result is attributed to modifying the textural properties of ZrO2/Al2O3, characterized by the reduction of acidic sites, augmented pore diameters from 4.81 to 7.74 nm, and the emergence of zirconia clusters across the surface of the porous support. In summary, this study presents the first application of zirconia on the alumina support surface for protein stabilization in white wine. Combining ZrO2/Al2O3 and a high-temperature treatment emerges as a promising, cost-efficient, and environmentally sustainable strategy for protein removal in white wine.


Subject(s)
Aluminum Oxide , Wine , Zirconium , Wine/analysis , Zirconium/chemistry , Aluminum Oxide/chemistry , Adsorption , Protein Stability , Hot Temperature , Food Handling/methods
6.
J Hazard Mater ; 471: 134467, 2024 Jun 05.
Article in English | MEDLINE | ID: mdl-38691930

ABSTRACT

The beneficial roles of hydrochar in carbon sequestration and soil improvement are widely accepted. Despite few available reports regarding polycyclic aromatic hydrocarbons (PAHs) generated during preparation, their potential negative impacts on ecosystems remain a concern. A heating treatment method was employed in this study for rapidly removing PAHs and reducing the toxicity of corn stover-based hydrochar (CHC). The result showed total PAHs content (∑PAH) decreased and then sharply increased within the temperature range from 150 °C to 400 °C. The ∑PAH and related toxicity in CHC decreased by more than 80% under 200 °C heating temperature, compared with those in the untreated sample, representing the lowest microbial toxicity. Benzo(a)pyrene produced a significant influence on the ecological toxicity of the hydrochar among the 16 types of PAHs. The impact of thermal treatment on the composition, content, and toxicity of PAHs was significantly influenced by the adsorption, migration, and desorption of PAHs within hydrochar pores, as well as the disintegration and aggregation of large molecular polymers. The combination of hydrochar with carbonized waste heat and exhaust gas collection could be a promising method to efficiently and affordably reduce hydrochar ecological toxicity.


Subject(s)
Hot Temperature , Polycyclic Aromatic Hydrocarbons , Soil Pollutants , Polycyclic Aromatic Hydrocarbons/toxicity , Polycyclic Aromatic Hydrocarbons/chemistry , Soil Pollutants/toxicity , Soil Pollutants/chemistry , Charcoal/chemistry , Zea mays , Soil/chemistry , Adsorption , Heating
7.
Environ Monit Assess ; 196(5): 491, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38691183

ABSTRACT

This study explores the dual applications of a greenly synthesized ZnO@CTAB nanocomposite for the efficient remediation of Rhodamine B (RhB) and lead (Pb). The synthesis method involves a sustainable approach, emphasizing environmentally friendly practices. FT-IR, XRD, FESEM, zeta potential, and particle size analyzer (PSA), BET, and UV-VIS were used to physically characterize the zinc oxide and CTAB nanocomposite (ZnO@CTAB). The size and crystalline index of ZnO@CTAB are 77.941 nm and 63.56% respectively. The Zeta potential of ZnO@CTAB is about - 22.4 mV. The pore diameter of the ZnO@CTAB was 3.216 nm, and its total surface area was 97.42 m2/g. The mechanism of adsorption was investigated through pHZPC measurements. The nanocomposite's adsorption performance was systematically investigated through batch adsorption experiments. At pH 2, adsorbent dose of 0.025 g, and temperature 50 °C, ZnO@CTAB removed the most RhB, while at pH 6, adsorbent dose of 0.11 g, and temperature 60 °C, ZnO@CTAB removed the most Pb. With an adsorption efficiency of 214.59 mg/g and 128.86 mg/g for RhB and Pb, the Langmuir isotherm model outperforms the Freundlich isotherm model in terms of adsorption. The pseudo-2nd-order model with an R2 of 0.99 for both RhB and Pb offers a more convincing explanation of adsorption than the pseudo-1st-order model. The results demonstrated rapid adsorption kinetics and high adsorption capacities for RhB and Pb. Furthermore, there was minimal deterioration and a high reusability of ZnO@CTAB till 4 cycles were observed.


Subject(s)
Lead , Nanocomposites , Rhodamines , Water Pollutants, Chemical , Zinc Oxide , Lead/chemistry , Zinc Oxide/chemistry , Rhodamines/chemistry , Nanocomposites/chemistry , Water Pollutants, Chemical/chemistry , Adsorption , Cetrimonium/chemistry , Environmental Restoration and Remediation/methods , Green Chemistry Technology , Nanostructures/chemistry
8.
Environ Monit Assess ; 196(5): 492, 2024 May 01.
Article in English | MEDLINE | ID: mdl-38691228

ABSTRACT

Bisphenol A (BPA) is an essential and extensively utilized chemical compound with significant environmental and public health risks. This review critically assesses the current water purification techniques for BPA removal, emphasizing the efficacy of adsorption technology. Within this context, we probe into the synthesis of magnetic biochar (MBC) using co-precipitation, hydrothermal carbonization, mechanical ball milling, and impregnation pyrolysis as widely applied techniques. Our analysis scrutinizes the strengths and drawbacks of these techniques, with pyrolytic temperature emerging as a critical variable influencing the physicochemical properties and performance of MBC. We explored various modification techniques including oxidation, acid and alkaline modifications, element doping, surface functional modification, nanomaterial loading, and biological alteration, to overcome the drawbacks of pristine MBC, which typically exhibits reduced adsorption performance due to its magnetic medium. These modifications enhance the physicochemical properties of MBC, enabling it to efficiently adsorb contaminants from water. MBC is efficient in the removal of BPA from water. Magnetite and maghemite iron oxides are commonly used in MBC production, with MBC demonstrating effective BPA removal fitting well with Freundlich and Langmuir models. Notably, the pseudo-second-order model accurately describes BPA removal kinetics. Key adsorption mechanisms include pore filling, electrostatic attraction, hydrophobic interactions, hydrogen bonding, π-π interactions, and electron transfer surface interactions. This review provides valuable insights into BPA removal from water using MBC and suggests future research directions for real-world water purification applications.


Subject(s)
Benzhydryl Compounds , Charcoal , Phenols , Wastewater , Water Pollutants, Chemical , Water Purification , Charcoal/chemistry , Benzhydryl Compounds/chemistry , Benzhydryl Compounds/analysis , Phenols/analysis , Phenols/chemistry , Water Pollutants, Chemical/analysis , Water Pollutants, Chemical/chemistry , Water Purification/methods , Adsorption , Wastewater/chemistry , Waste Disposal, Fluid/methods
9.
Sci Rep ; 14(1): 11058, 2024 05 14.
Article in English | MEDLINE | ID: mdl-38745050

ABSTRACT

The present study assessed the effective use of biochar for the adsorption of two potent HAB toxins namely, Microcystin-LR (MCLR) and Saxitoxin (STX) through a combination of dosage, kinetic, equilibrium, initial pH, and competitive adsorption experiments. The adsorption results suggest that biochar has excellent capabilities for removing MCLR and STX, with STX reporting higher adsorption capacities (622.53-3507.46 µg/g). STX removal required a minimal dosage of 0.02 g/L, while MCLR removal needed 0.4 g/L for > 90%. Similarly, a shorter contact time was required for STX removal compared to MCLR for > 90% of toxin removed from water. Initial pH study revealed that for MCLR acidic conditions favored higher uptake while STX favored basic conditions. Kinetic studies revealed that the Elovich model to be most suitable for both toxins, while STX also showed suitable fittings for Pseudo-First Order and Pseudo-Second Order in individual toxin systems. Similarly, for the Elovich model the most suited kinetic model for both toxins in presence of each other. Isotherm studies confirmed the Langmuir-Freundlich model as the best fit for both toxins. These results suggest adsorption mechanisms including pore filling, hydrogen bonding, π-π interactions, hydrophobic interactions, electrostatic attraction, and dispersive interactions.


Subject(s)
Charcoal , Marine Toxins , Microcystins , Saxitoxin , Water Purification , Microcystins/chemistry , Microcystins/isolation & purification , Charcoal/chemistry , Saxitoxin/chemistry , Marine Toxins/chemistry , Adsorption , Kinetics , Water Purification/methods , Hydrogen-Ion Concentration , Water Pollutants, Chemical/chemistry
10.
J Agric Food Chem ; 72(19): 11259-11267, 2024 May 15.
Article in English | MEDLINE | ID: mdl-38691423

ABSTRACT

Peanut allergen monitoring is currently an effective strategy to avoid allergic diseases, while food matrix interference is a critical challenge during detection. Here, we developed an antifouling surface plasmon resonance sensor (SPR) with stratified zwitterionic peptides, which provides both excellent antifouling and sensing properties. The antifouling performance was measured by the SPR, which showed that stratified peptide coatings showed much better protein resistance, reaching ultralow adsorption levels (<5 ng/cm2). Atomic force microscopy was used to further analyze the antifouling mechanism from a mechanical perspective, which demonstrated lower adsorption forces on hybrid peptide coatings, confirming the better antifouling performance of stratified surfaces. Moreover, the recognition of peanut allergens in biscuits was performed using an SPR with high efficiency and appropriate recovery results (98.2-112%), which verified the feasibility of this assay. Therefore, the fabrication of antifouling sensors with stratified zwitterionic peptides provides an efficient strategy for food safety inspection.


Subject(s)
Allergens , Arachis , Peptides , Surface Plasmon Resonance , Surface Plasmon Resonance/methods , Arachis/chemistry , Arachis/immunology , Peptides/chemistry , Peptides/immunology , Allergens/analysis , Allergens/immunology , Allergens/chemistry , Biofouling/prevention & control , Food Contamination/analysis , Plant Proteins/immunology , Plant Proteins/chemistry , Plant Proteins/analysis , Biosensing Techniques/instrumentation , Biosensing Techniques/methods , Adsorption
11.
Se Pu ; 42(5): 410-419, 2024 Apr 08.
Article in Chinese | MEDLINE | ID: mdl-38736384

ABSTRACT

Protein A affinity chromatographic materials are widely used in clinical medicine and biomedicine because of their specific interactions with immunoglobulin G (IgG). Both the characteristics of the matrix, such as its structure and morphology, and the surface modification method contribute to the affinity properties of the packing materials. The specific, orderly, and oriented immobilization of protein A can reduce its steric hindrance with the matrix and preserve its bioactive sites. In this study, four types of affinity chromatographic materials were obtained using agarose and polyglycidyl methacrylate (PGMA) spheres as substrates, and multifunctional epoxy and maleimide groups were used to fix protein A. The effects of the ethylenediamine concentration, reaction pH, buffer concentration, and other conditions on the coupling efficiency of protein A and adsorption performance of IgG were evaluated. Multifunctional epoxy materials were prepared by converting part of the epoxy groups of the agarose and PGMA matrices into amino groups using 0.2 and 1.6 mol/L ethylenediamine, respectively. Protein A was coupled to the multifunctional epoxy materials using 5 mmol/L borate buffer (pH 8) as the reaction solution. When protein A was immobilized on the substrates by maleimide groups, the agarose and PGMA substrates were activated with 25% (v/v) ethylenediamine for 16 h to convert all epoxy groups into amino groups. The maleimide materials were then converted into amino-modified materials by adding 3 mg/mL 3-maleimidobenzoyl-N-hydroxysuccinimide ester (MBS) dissolved in dimethyl sulfoxide (DMSO) and then suspended in 5 mmol/L borate buffer (pH 8). The maleimide groups reacted specifically with the C-terminal of the sulfhydryl group of recombinant protein A to achieve highly selective fixation on both the agarose and PGMA substrates. The adsorption performance of the affinity materials for IgG was improved by optimizing the bonding conditions of protein A, such as the matrix type, matrix particle size, and protein A content, and the adsorption properties of each affinity material for IgG were determined. The column pressure of the protein A affinity materials prepared using agarose or PGMA as the matrix via the maleimide method was subsequently evaluated at different flow rates. The affinity materials prepared with PGMA as the matrix exhibited superior mechanical strength compared with the materials prepared with agarose. Moreover, an excellent linear relationship between the flow rate and column pressure of 80 mL/min was observed for this affinity material. Subsequently, the effect of the particle size of the PGMA matrix on the binding capacity of IgG was investigated. Under the same protein A content, the dynamic binding capacity of the affinity materials on the PGMA matrix was higher when the particle size was 44-88 µm than when other particle sizes were used. The properties of the affinity materials prepared using the multifunctional epoxy and maleimide-modified materials were compared by synthesizing affinity materials with different protein A coupling amounts of 1, 2, 4, 6, 8, and 10 mg/mL. The dynamic and static binding capacities of each material for bovine IgG were then determined. The prepared affinity material was packed into a chromatographic column to purify IgG from bovine colostrum. Although all materials showed specific adsorption selectivity for IgG, the affinity material prepared by immobilizing protein A on the PGMA matrix with maleimide showed significantly better performance and achieved a higher dynamic binding capacity at a lower protein grafting amount. When the protein grafting amount was 15.71 mg/mL, the dynamic binding capacity of bovine IgG was 32.23 mg/mL, and the dynamic binding capacity of human IgG reached 54.41 mg/mL. After 160 cycles of alkali treatment, the dynamic binding capacity of the material reached 94.6% of the initial value, indicating its good stability. The developed method is appropriate for the production of protein A affinity chromatographic materials and shows great potential in the fields of protein immobilization and immunoadsorption material synthesis.


Subject(s)
Chromatography, Affinity , Staphylococcal Protein A , Chromatography, Affinity/methods , Staphylococcal Protein A/chemistry , Adsorption , Immunoglobulin G/chemistry , Polymethacrylic Acids/chemistry , Sepharose/chemistry
12.
Biotechnol J ; 19(5): e2400154, 2024 May.
Article in English | MEDLINE | ID: mdl-38719568

ABSTRACT

Maximizing product yield in biopharmaceutical manufacturing processes is a critical factor in determining the overall cost of goods, especially given the high value of these biological products. However, there has been relatively limited research on the quantitative analysis of protein losses due to adsorption and fouling during the different membrane filtration processes employed in typical downstream operations. This study aims to provide a comprehensive analysis of protein loss in the range of membrane systems used in downstream processing including clarification, virus removal filtration, ultrafiltration/diafiltration for formulation, and final sterile filtration, all using commercially available membranes with three model proteins (bovine serum albumin, human serum albumin, and immunoglobulin G). The correlation between protein loss and various parameters (i.e., protein type, protein concentration, throughput, membrane morphology, and protein removal mechanism) was also investigated. This study provides important insights into the nature of protein loss during membrane processes as well as a methodology for quantifying protein yield loss in bioprocesses.


Subject(s)
Membranes, Artificial , Ultrafiltration , Humans , Ultrafiltration/methods , Filtration/methods , Animals , Biological Products/chemistry , Serum Albumin, Bovine/chemistry , Immunoglobulin G/chemistry , Adsorption , Cattle , Serum Albumin, Human/chemistry
13.
Mikrochim Acta ; 191(6): 297, 2024 05 06.
Article in English | MEDLINE | ID: mdl-38709347

ABSTRACT

A new detection platform based on a hydroxylated covalent organic framework (COF) integrated with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was constructed and used for detecting adrenergic receptor agonists (ARAs) residues in milk. The hydroxylated COF was prepared by polymerization of tris(4-aminophenyl)amine and 1,3,5-tris(4-formyl-3-hydroxyphenyl)benzene and applied to solid-phase extraction (SPE) of ARAs. This hydroxylated COF was featured with hierarchical flower-like morphology, easy preparation, and copious active adsorption sites. The adsorption model fittings and molecular simulation were applied to explore the potential adsorption mechanism. This detection platform was suitable for detecting four α2- and five ß2-ARAs residues in milk. The linear ranges of the ARAs were from 0.25 to 50 µg·kg-1; the intra-day and the inter-day repeatability were in the range 2.9-7.9% and 2.0-10.1%, respectively. This work demonstrates this hydroxylated COF has great potential as SPE cartridge packing, and provides a new way to determine ARAs residues in milk.


Subject(s)
Milk , Solid Phase Extraction , Tandem Mass Spectrometry , Solid Phase Extraction/methods , Milk/chemistry , Animals , Tandem Mass Spectrometry/methods , Hydroxylation , Metal-Organic Frameworks/chemistry , Adsorption , Adrenergic Agonists/chemistry , Adrenergic Agonists/analysis , Limit of Detection , Cattle
14.
J Mol Model ; 30(5): 156, 2024 May 02.
Article in English | MEDLINE | ID: mdl-38693294

ABSTRACT

CONTEXT: Due to their excellent biocompatibility and degradability, cellulose/spider silk protein composites hold a significant value in biomedical applications such as tissue engineering, drug delivery, and medical dressings. The interfacial interactions between cellulose and spider silk protein affect the properties of the composite. Therefore, it is important to understand the interfacial interactions between spider silk protein and cellulose to guide the design and optimization of composites. The study of the adsorption of protein on specific surfaces of cellulose crystal can be very complex using experimental methods. Molecular dynamics simulations allow the exploration of various physical and chemical changes at the atomic level of the material and enable an atomic description of the interactions between cellulose crystal planes and spider silk protein. In this study, molecular dynamics simulations were employed to investigate the interfacial interactions between spider silk protein (NTD) and cellulose surfaces. Findings of RMSD, RMSF, and secondary structure showed that the structure of NTD proteins remained unchanged during the adsorption process. Cellulose contact numbers and hydrogen bonding trends on different crystalline surfaces suggest that van der Waals forces and hydrogen bonding interactions drive the binding of proteins to cellulose. These findings reveal the interaction between cellulose and protein at the molecular level and provide theoretical guidance for the design and synthesis of cellulose/spider silk protein composites. METHODS: MD simulations were all performed using the GROMACS-5.1 software package and run with CHARMM36 carbohydrate force field. Molecular dynamics simulations were performed for 500 ns for the simulated system.


Subject(s)
Cellulose , Hydrogen Bonding , Molecular Dynamics Simulation , Silk , Spiders , Cellulose/chemistry , Spiders/chemistry , Animals , Silk/chemistry , Adsorption , Protein Binding , Fibroins/chemistry
15.
Sci Rep ; 14(1): 10293, 2024 05 04.
Article in English | MEDLINE | ID: mdl-38704412

ABSTRACT

In this study, a sensitive and selective fluorescent chemosensor was developed for the determination of pirimicarb pesticide by adopting the surface molecular imprinting approach. The magnetic molecularly imprinted polymer (MIP) nanocomposite was prepared using pirimicarb as the template molecule, CuFe2O4 nanoparticles, and graphene quantum dots as a fluorophore (MIP-CuFe2O4/GQDs). It was then characterized using X-ray diffraction (XRD) technique, Fourier transforms infrared (FT-IR) spectroscopy, scanning electron microscope (SEM), and transmission electron microscopy (TEM). The response surface methodology (RSM) was also employed to optimize and estimate the effective parameters of pirimicarb adsorption by this polymer. According to the experimental results, the average particle size and imprinting factor (IF) of this polymer are 53.61 nm and 2.48, respectively. Moreover, this polymer has an excellent ability to adsorb pirimicarb with a removal percentage of 99.92 at pH = 7.54, initial pirimicarb concentration = 10.17 mg/L, polymer dosage = 840 mg/L, and contact time = 6.15 min. The detection of pirimicarb was performed by fluorescence spectroscopy at a concentration range of 0-50 mg/L, and a sensitivity of 15.808 a.u/mg and a limit of detection of 1.79 mg/L were obtained. Real samples with RSD less than 2 were measured using this chemosensor. Besides, the proposed chemosensor demonstrated remarkable selectivity by checking some other insecticides with similar and different molecular structures to pirimicarb, such as diazinon, deltamethrin, and chlorpyrifos.


Subject(s)
Pesticides , Pyrimidines , Pesticides/analysis , Carbamates/analysis , Carbamates/chemistry , Quantum Dots/chemistry , Molecularly Imprinted Polymers/chemistry , Polymers/chemistry , Spectrometry, Fluorescence/methods , Graphite/chemistry , Molecular Imprinting/methods , Adsorption , Limit of Detection , Spectroscopy, Fourier Transform Infrared , Nanocomposites/chemistry , Nanocomposites/ultrastructure
16.
Sci Rep ; 14(1): 10269, 2024 05 04.
Article in English | MEDLINE | ID: mdl-38704450

ABSTRACT

Thiamine (vitamin B1) is an essential vitamin serving in its diphosphate form as a cofactor for enzymes in the citric acid cycle and pentose-phosphate pathways. Its concentration reported in the pM and nM range in environmental and clinical analyses prompted our consideration of the components used in pre-analytical processing, including the selection of filters, filter apparatuses, and sample vials. The seemingly innocuous use of glass fiber filters, glass filter flasks, and glass vials, ubiquitous in laboratory analysis of clinical and environmental samples, led to marked thiamine losses. 19.3 nM thiamine was recovered from a 100 nM standard following storage in glass autosampler vials and only 1 nM of thiamine was obtained in the filtrate of a 100 nM thiamine stock passed through a borosilicate glass fiber filter. We further observed a significant shift towards phosphorylated derivatives of thiamine when an equimolar mixture of thiamine, thiamine monophosphate, and thiamine diphosphate was stored in glass (most notably non-silanized glass, where a reduction of 54% of the thiamine peak area was observed) versus polypropylene autosampler vials. The selective losses of thiamine could lead to errors in interpreting the distribution of phosphorylated species in samples. Further, some loss of phosphorylated thiamine derivatives selectively to amber glass vials was observed relative to other glass vials. Our results suggest the use of polymeric filters (including nylon and cellulose acetate) and storage container materials (including polycarbonate and polypropylene) for thiamine handling. Losses to cellulose nitrate and polyethersulfone filters were far less substantial than to glass fiber filters, but were still notable given the low concentrations expected in samples. Thiamine losses were negated when thiamine was stored diluted in trichloroacetic acid or as thiochrome formed in situ, both of which are common practices, but not ubiquitous, in thiamine sample preparation.


Subject(s)
Glass , Thiamine , Thiamine/analysis , Thiamine/chemistry , Glass/chemistry , Adsorption , Humans , Filtration
17.
Environ Monit Assess ; 196(6): 524, 2024 May 08.
Article in English | MEDLINE | ID: mdl-38717730

ABSTRACT

The utilization of agricultural waste to create value-added goods has benefited waste management while resolving cost-effectiveness and food shortage problems. Returning biochar produced from agricultural waste to the agricultural field is a sustainable method of enhancing crop production while lowering the environmental effect of typical fertilizers. It also enhances soil condition by modulating pH, soil organic carbon, water retention capacity, and soil ion exchange potential. The current work concentrated on the production of iron oxide-loaded biochar from banana peels. Pyrolysis was carried out at temperatures ranging from 400 to 500 °C. The co-precipitation technique was utilized to impregnate Fe3O4 nanoparticles on biochar, and it showed to be an effective and trustworthy method. Loading was done in situ. Characterization techniques such as XRD, FTIR, CHNS, and TGA were employed to characterize synthesized materials. Swelling ratio, water retention, absorbance, and equilibrium water content percentage were used to study the adsorption capabilities of Fe3O4-loaded biochar, soil, and raw biochar. As a consequence, Fe3O4-enriched biochar was shown to have better adsorption capability than raw biochar, which in turn showed better adsorption properties than soil. Iron-loaded biochar was employed as a fertilizer in Abelmoschus esculentus (Okra), and the results showed that it is a cost-effective, environmentally friendly fertilizer.


Subject(s)
Agriculture , Charcoal , Fertilizers , Soil , Fertilizers/analysis , Charcoal/chemistry , Agriculture/methods , Soil/chemistry , Iron/chemistry , Adsorption
18.
Sci Rep ; 14(1): 9972, 2024 04 30.
Article in English | MEDLINE | ID: mdl-38693342

ABSTRACT

This study presents a novel biosorbent developed by immobilizing dead Sp2b bacterial biomass into calcium alginate (CASp2b) to efficiently remove arsenic (AsIII) from contaminated water. The bacterium Sp2b was isolated from arsenic-contaminated industrial soil of Punjab, a state in India. The strain was designated Acinetobacter sp. strain Sp2b as per the 16S rDNA sequencing, GenBank accession number -OP010048.The CASp2b was used for the biosorption studies after an initial screening for the biosorption capacity of Sp2b biomass with immobilized biomass in both live and dead states. The optimum biosorption conditions were examined in batch experimentations with contact time, pH, biomass, temperature, and AsIII concentration variables. The maximum biosorption capacity (qmax = 20.1 ± 0.76 mg/g of CA Sp2b) was obtained at pH9, 35 ̊ C, 20 min contact time, and 120 rpm agitation speed. The isotherm, kinetic and thermodynamic modeling of the experimental data favored Freundlich isotherm (R2 = 0.941) and pseudo-2nd-order kinetics (R2 = 0.968) with endothermic nature (ΔH° = 27.42) and high randomness (ΔS° = 58.1).The scanning electron microscopy with energy dispersive X-ray (SEM-EDX) analysis indicated the As surface binding. The reusability study revealed the reasonable usage of beads up to 5 cycles. In conclusion, CASp2b is a promising, efficient, eco-friendly biosorbent for AsIII removal from contaminated water.


Subject(s)
Acinetobacter , Alginates , Arsenic , Biodegradation, Environmental , Biomass , Water Pollutants, Chemical , Alginates/chemistry , Alginates/metabolism , Acinetobacter/metabolism , Acinetobacter/genetics , Arsenic/metabolism , Water Pollutants, Chemical/metabolism , Adsorption , Kinetics , Hydrogen-Ion Concentration , Water Purification/methods , Temperature , Thermodynamics
19.
Anal Chim Acta ; 1306: 342609, 2024 Jun 01.
Article in English | MEDLINE | ID: mdl-38692788

ABSTRACT

BACKGROUND: Accurate quantitative analysis of small molecule metabolites in biological samples is of great significance. Hydroxypolycyclic aromatic hydrocarbons (OH-PAHs) are metabolic derivatives of emerging pollutants, reflecting exposure to polycyclic aromatic hydrocarbons (PAHs). Macromolecules such as proteins and enzymes in biological samples will interfere with the accurate quantification of OH-PAHs, making direct analysis impossible, requiring a series of complex treatments such as enzymatic hydrolysis. Therefore, the development of matrix-compatible fiber coatings that can exclude macromolecules is of great significance to improve the ability of solid-phase microextraction (SPME) technology to selectively quantify small molecules in complex matrices and achieve rapid and direct analysis. RESULTS: We have developed an innovative coating with a stable macromolecular barrier using electrospinning and flexible filament winding (FW) technologies. This coating, referred to as the hollow fibrous covalent organic framework@polyionic liquid (F-COF@polyILs), demonstrates outstanding conductivity and stability. It accelerates the adsorption equilibrium time (25 min) for polar OH-PAHs through electrically enhanced solid-phase microextraction (EE-SPME) technology. Compared to the powder form, F-COF@polyILs coating displays effective non-selective large-size molecular sieving. Combining gas chromatography-tandem triple quadrupole mass spectrometry (GC-MS/MS), we have established a simple, efficient quantitative analysis method for OH-PAHs with a low detection limit (0.008-0.05 ng L-1), wide linear range (0.02-1000 ng L-1), and good repeatability (1.0%-7.3 %). Experimental results show that the coated fiber exhibits good resistance to matrix interference (2.5%-16.7 %) in complex biological matrices, and has been successfully used for OH-PAHs analysis in human urine and plasma. SIGNIFICANCE: FW technology realizes the transformation of the traditional powder form of COF in SPME coating to a uniform non-powder coating, giving its ability to exclude large molecules in complex biological matrices. A method for quantitatively detecting OH-PAHs in real biological samples was also developed. Therefore, the filament winding preparation method for F-COF@polyILs coated fibers, along with fibrous COFs' morphology control, has substantial implications for efficiently extracting target compounds from complex matrices.


Subject(s)
Solid Phase Microextraction , Solid Phase Microextraction/methods , Metal-Organic Frameworks/chemistry , Polycyclic Aromatic Hydrocarbons/analysis , Polycyclic Aromatic Hydrocarbons/isolation & purification , Macromolecular Substances/chemistry , Limit of Detection , Adsorption , Electrochemical Techniques/methods
20.
Environ Geochem Health ; 46(6): 185, 2024 May 02.
Article in English | MEDLINE | ID: mdl-38695908

ABSTRACT

Microplastics (MPs), as emerging contaminants, usually experience aging processes in natural environments and further affect their interactions with coexisted contaminants, resulting in unpredictable ecological risks. Herein, the effect of MPs aging on their adsorption for coexisting antibiotics and their joint biotoxicity have been investigated. Results showed that the adsorption capacity of aged polystyrene (PS, 100 d and 50 d) for ciprofloxacin (CIP) was 1.10-4.09 times higher than virgin PS due to the larger BET surface area and increased oxygen-containing functional groups of aged PS. Following the increased adsorption capacity of aged PS, the joint toxicity of aged PS and CIP to Shewanella Oneidensis MR-1 (MR-1) was 1.03-1.34 times higher than virgin PS and CIP. Combined with the adsorption process, CIP posed higher toxicity to MR-1 compared to aged PS due to the rapid adsorption of aged PS for CIP in the first 12 h. After that, the adsorption process tended to be gentle and hence the joint toxicity to MR-1 was gradually dominated by aged PS. A similar transformation between the adsorption rate and the joint toxicity of PS and CIP was observed under different conditions. This study supplied a novel perception of the synergistic effects of PS aging and CIP on ecological health.


Subject(s)
Ciprofloxacin , Polystyrenes , Shewanella , Ciprofloxacin/chemistry , Ciprofloxacin/toxicity , Polystyrenes/toxicity , Polystyrenes/chemistry , Adsorption , Shewanella/drug effects , Microplastics/toxicity , Microplastics/chemistry , Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/toxicity , Water Pollutants, Chemical/toxicity , Water Pollutants, Chemical/chemistry
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