Three-dimensional Fluorescence Spectroscopy Research Articles

Effect of the presence of berberine/curcumin on the binding of limonin to human serum albumin and antitumor activity in vitro

The competition among drugs for binding to plasma proteins is regarded as a pharmacokinetic drug interaction. Competition between antitumor agents and other drugs for plasma protein binding can alter the free concentration of the drug, potentially impacting its efficacy and increasing the risk of toxic side effects. Through a range of spectroscopic techniques, this study examined the interaction between limonin and human serum albumin (HSA) in the context of berberine (Ber) and curcumin (Cur) under physiological conditions to clarify the binding mechanisms of binary and ternary systems at the molecular level. As demonstrated by fluorescence quenching experiments, Static quenching was identified as the mechanism of interaction between HSA and limonin. The results of site competition experiments indicated that the binding site between limonin and HSA was site I, a result further supported by molecular docking simulations. Through the use of thermodynamic data calculations, it was determined that limonin forms a stable complex with HSA by establishing hydrogen bonds and van der Waals forces. Circular dichroism (CD) spectroscopy, three-dimensional (3D) fluorescence spectroscopy, and synchronous fluorescence spectroscopy (SFS) employed to validate the notion that limonin perturbed the microenvironment of amino acids and induced conformational changes in HSA. What’s more, the presence of Ber or Cur was found to have further modified the alterations observed in the interaction between the original HSA-limonin binary system. In vitro cellular experiments showed that interaction with HSA reduced the antitumor activity of limonin. In contrast, adding Ber or Cur increased the inhibition rate of tumor cells. The coexistence of both Ber and Cur significantly diminished limonin’s binding affinity to HSA. The current investigation enhances comprehension regarding the binding characteristics and interaction mechanisms involving limonin, Ber, Cur, and HSA. It explores the potential of HSA as a versatile drug carrier and furnishes theoretical underpinnings for co-administrative strategies.

Exploring the binding characteristics of bovine serum albumin with CDK4/6 inhibitors Ribociclib: Multi-spectral analysis and molecular simulation studies

Ribociclib (RIB), a tyrosine kinase inhibitor, exhibits promising antitumor efficacy and controlled toxicity in HR+/HER2- breast cancer patients, which is closely related to the binding with plasma proteins. This study utilized a combination of spectroscopic techniques including UV spectroscopy, fluorescence spectroscopy, and circular dichroism (CD) as well as molecular docking and molecular dynamic simulation to clarify the binding mechanism between bovine serum albumin (BSA) and RIB. The findings demonstrated that RIB produced a 1:1 stoichiometric complex with BSA, which quenched BSA's fluorescence in the manner of the static quenching mechanism. Site labelling experiments pinpointed Site III on BSA as the primary binding site for RIB, a finding validated by molecular docking. Van der Waals forces and hydrogen bonding interactions as key drivers in the formation of RIB-BSA complexes, a conclusion supported by molecular docking. Molecular simulation studies suggested that the insertion of RIB into the hydrophobic cavity (Site III) of BSA induced subtle conformational changes in the BSA protein, and CD measurements confirmed alterations in BSA secondary structure content. Synchronous and three-dimensional fluorescence spectroscopy further demonstrated that RIB decreased the hydrophobicity of the microenvironment surrounding tyrosine and tryptophan residues. These findings offer valuable insights into the pharmacokinetics and structural modifications of RIB.

Tetracycline degradation in the system of peracetic acid activation by liquid discharge plasma

The oxidative degradation ability of peracetic acid (PAA) for organic pollutants can be enhanced by different activation methods. This study investigated the degradation efficiency and mechanisms of tetracycline (TC) using PAA activated by liquid-phase discharge plasma. An 86.08 % degradation efficiency for TC after 60 min treatment was achieved in the Plasma/PAA system, much higher than that of the sole Plasma (46.64 %) and PAA (15.19 %). Acidic conditions and neutral conditions were more favorable for TC removal than alkaline conditions. Inorganic ions generally inhibited TC degradation, though notably, low concentrations of Cl− and NO3− promoted it. Free radical quenching experiments and electron paramagnetic resonance (EPR) analysis confirmed the crucial roles of OH, RO, and 1O2 in TC degradation. Three-dimensional fluorescence spectroscopy (3DFS) and ultraviolet–visible absorption spectroscopy (UV–VIS) elucidated the TC degradation mechanism, revealing key aspects of antibiotic structural decomposition. Further analysis of the degradation products by liquid chromatography-mass spectrometry (LC-MS) indicated three potential degradation pathways. Biotoxicity evaluations indicated that the synergistic system significantly reduced the biotoxicity of the degradation products. This study demonstrated an efficient method for plasma-activated PAA in degrading persistent pharmaceutical pollutants. It also confirmed the system’s applicability across a broad spectrum of organic pollutants and water bodies, highlighting its potential for a wide range of environmental protection applications.

Biogas slurry-derived dissolved organic matter inhibited oxytetracycline adsorption by tropical agricultural soils

The increasing presence of oxytetracycline (OTC) in agricultural soils has raised global environmental concerns. We investigated the environmental behavior and fate of OTC in two types of tropical agricultural soils, focusing on the impact of dissolved organic matter (DOM) from biogas slurry. Techniques such as three-dimensional excitation-emission matrix fluorescence spectroscopy (3D-EEM), Fourier Transform Infrared (FTIR), X-ray photoelectron spectroscopy (XPS), and Ultraviolet-visible spectrophotometer (UV–vis) were used to explore the adsorption mechanisms. Our findings revealed that biogas slurry-derived DOM decreased the OTC adsorption on soils and extended the time to reach adsorption equilibrium. Specifically, the equilibrium adsorption of OTC by the two soils decreased by 19.41 and 15.32 %, respectively. These adsorption processes were effectively modelled by Elovich, intraparticle diffusion, linear, and Freundlich thermodynamic models. Thermodynamic parameters suggested that OTC adsorption onto soils was spontaneous and endothermic, with competitive interactions between biogas slurry-derived DOM and OTC molecules intensifying at higher DOM concentrations. The adsorption mechanisms were governed by both physical and chemical processes. Furthermore, the presence of Ca2+ and Na+ ions significantly inhibited OTC adsorption. These insights advanced our understanding of the fate and risk of OTC in soil environments influenced by DOM, contributing to more informed agricultural and environmental management practices.

The use of the self-organizing map (SOM) methodology to study the dissolved organic matter (DOM) in different water body types.

This study investigated the characteristics of dissolved organic matter (DOM) in two distinct water bodies, through the utilization of three-dimensional fluorescence spectroscopy coupled with self-organizing map (SOM) methodology. Specifically, this analysis concentrated on neurons 3, 14, and 17 within the SOM model, identifying notable differences in the DOM compositions of a coal subsidence water body (TX) and the MaChang Reservoir (MC). The humic substance content of DOM TX exceeded that of MC. The origin of DOM in TX was primarily linked to agricultural inputs and rainfall runoff, whereas the DOM in MC was associated with human activities, displaying distinctive autochthonous features and heightened biological activity. Principal component analysis revealed that humic substances dominated the DOM in TX, while the natural DOM in MC was primarily autochthonous. Furthermore, a multiple linear regression model (MLR) determined that external pollution was responsible for 99.11% of variation in the humification index (HIX) of water bodies.

Anomaly detection method for urban river water quality based on background model prediction using three-dimensional fluorescence

Abstract Three-dimensional fluorescence spectroscopy has great potential for detecting water quality anomalies in urban rivers and protecting against organic pollution. However, current detection methods inadequately address critical application scenarios, such as fluctuations in river water background, low concentration of pollutants, and the fluorescence peaks overlap between pollutants and background. In this paper, a fluorescence spectrum feature extraction method which is effective for the above scenarios was proposed. The proposed method involves a sequential process. First, the original spectrum undergoes preprocessing using a novel method. Next, an alternating residual tri-linearization technique is applied to establish a predictive model for river water spectrum changes. Subsequently, the background model is utilized for spectrum decomposition and reconstruction of the test sample. This reconstructed spectrum is then used to derive the residual spectrum by comparison with the original. Finally, frequency domain features are extracted from the residual spectrum to enable classification, while the background model undergoes real-time updates. In the three meaningful scenarios mentioned above, the accuracy of the proposed method for anomaly detection reached 99%, 82%, and 98%, respectively. Our accuracy is higher than several typical benchmark methods.

Seasonal effects of fish, seaweed and abalone cultures on dissolved organic matter and carbon sequestration potential in Sansha Bay, China

Coastal bays serve as undeniable dissolved organic matter (DOM) reactors and the role of prevalent mariculture in DOM cycling deserves investigation. This study, based on four seasonal field samplings and a laboratory incubation experiment, examined the source and seasonal dynamics of DOM and fluorescent dissolved organic matter (FDOM) in the seawater of fish (Larimichthys crocea, LC), seaweed (Gracilaria lemaneiformis, GL) and abalone (Haliotis sp., HA) culturing zones in Sansha Bay, China. Using three-dimensional fluorescence spectroscopy coupled with parallel factor analysis (EEMs-PARAFAC), three fluorescent components were identified, i.e. protein-like C1, protein-like C2, and humic-like C3. Our results showed that mariculture activities dominated the DOM pool by seasonal generating abundant DOM with lower aromaticity and humification degrees. Accounting for 40–95 % of total fluorescent components, C1 (Ex/Em = 300/340 nm) was regarded the same as D1 (Ex/Em = 300/335 nm) identified in a 180-day degradation experiments of G. lemaneiformis detritus, indicating that the cultured seaweed modulated DOM through the seasonal production of C1. In addition, the incubation experiment revealed that 0.7 % of the total carbon content of seaweed detritus could be preserved as recalcitrant dissolved organic carbon (RDOC). However, fish culture appeared to contribute to liable DOC and protein-like C2, exerting a substantial impact on DOM during winter but making a negligible contribution to carbon sequestration, while abalone culture might promote the potential export and sequestration of seaweed-derived carbon to the ocean. Our results highlight the influences of mariculture activities, especially seaweed culture, in shaping DOM pool in coastal bays. These findings can provide reference for future studies on the carbon accounting of mariculture.

Study on the Maturity of Vegetable Waste Composting by Three-Dimensional Fluorescence Spectroscopy

Study on the Maturity of Vegetable Waste Composting by Three-Dimensional Fluorescence Spectroscopy

Compact three-dimensional fluorescence spectroscopy and its application in food safety

Three-Dimensional fluorescence spectroscopy is an indispensable tool for identification of substances by virtue of its ability to supply abundant characteristic information and high spectral resolution. In this work, we present a compact three-dimensional fluorescence spectrometer utilizing 18 different wavelength LEDs as excitation light source, instead of the conventional bulky multi-wavelength illumination strategy. This spectrometer can in situ obtain the spectral information accurately and fast, while reducing the weight and volume of system. To show its broad biochemical utility, we utilize the compact spectrometer to measure four types of vegetable oil samples from different origins, and analyzed their spectral characteristics. Moreover, we construct a deep learning model based on the 2D-CNN network to detect sesame oil adulteration qualitatively and quantitively. The Compact fluorescence spectrometer proposed has the potential to classify and grade food oils in situ, addressing the problem of sesame oil adulteration on the market.

Synergistic effect of N doping and oxygen vacancies over TiO2 nanosheets with enhanced photocatalytic removal of tetracycline

The increasing pollution from non-biodegradable antibiotics poses a significant threat to ecosystems and human health. TiO2 is widely acknowledged as the premier photocatalyst for removing antibiotics from wastewater. To address the limitations of TiO2 in wide forbidden band width and low efficiency separation/migration of carriers, N-doping and oxygen vacancies (OVs) are co-modified within TiO2 nanosheets through the one-step calcination of a mixture of H2TiO3 and urea. The results indicate that the co-modified sample (TiO2-U5) exhibited the highest TC removal efficiency of 90% after 60 minutes of reaction, with a kinetic constant 3.6 times higher than that of pristine TiO2. The effective mineralization of TC is confirmed by three-dimensional excitation-emission matrix fluorescence spectroscopy (3D EEMs). Systematic characterization of the photocatalyst structure and monitoring of intermediates/products reveal that the synergistic effect of N-doping and oxygen vacancies (OVs) enhances band alignment, light response, and carrier separation/migration, thus improving the photocatalytic degradation performance of TC. This study highlights the significant potential of adjusting charge transport and enriching active sites through the co-introduction of doping and surface defects on TiO2 for the photocatalytic degradation of antibiotics.

Soil respiration induces co-emission of greenhouse gases and methylated selenium from cold-region Mollisols: Significance for selenium deficiency

Mollisols rich in natural organic matter are a significant sink of carbon (C) and selenium (Se). Climate warming and agricultural expansion to the cold Mollisol regions may enhance soil respiration and biogeochemical cycles, posing a growing risk of soil C and Se loss. Through field-mimicking incubation experiments with uncultivated and cultivated soils from the Mollisol regions of northeastern China, this research shows that soil respiration remained significant even during cold seasons and caused co-emission of greenhouse gases (CO2 and CH4) and methylated Se. Such stimulus effects were generally stronger in the cultivated soils, with maximum emission rates of 7.45 g/m2/d C and 1.42 μg/m2/d Se. For all soil types, the greatest co-emission of CO2 and dimethyl selenide occurred at 25 % soil moisture, whereas measurable CH4 emission was observed at 40 % soil moisture with higher percentages of dimethyl diselenide volatilization. Molecular characterization with three-dimensional fluorescence and ultra-high resolution mass spectrometry suggests that CO2 emission is sensitive to the availability of microbial protein-like substances and free energy from organic carbon biodegradation under variable moisture conditions. Predominant Se binding to biodegradable organic matter resulted in high dependence of Se volatilization on rates of greenhouse gas emissions. These findings together highlight the importance of dynamic organic carbon quality for soil respiration and consequent Mollisol Se loss risk, with implications for science-based management of C and Se resources in agricultural lands to combat with Se deficiency.

Combination Mechanism of Soil Dissolved Organic Matter and Cu2+ in Vegetable Fields, Forests and Dry Farmland in Lujiang County

Dissolved organic matter (DOM) serves as a critical link in the migration and transformation of heavy metals at the soil–solid interface, influencing the migration behaviour and transformation processes of Cu2+ in soil. There have been studies on the combination mechanisms between DOM and Cu2+ in paddy soils. However, the adsorption/complexation and redox processes between DOM and Cu2+ in other agricultural soil types (such as dry farmland and vegetable fields) are unclear. In order to reveal the combination process of DOM with Cu in different agricultural soil types and the dynamic changes in chemical behaviour that occur, this study analysed the variability of DOM components and structure in three soils using three-dimensional fluorescence spectroscopy and X-ray photoelectron spectroscopy. In addition, the priority order of different DOM compounds in combination with Cu and the change process in relation to the Cu valence state in the soil of Lujiang County, Anhui Province, was revealed based on laboratory experiments. The results showed that the composition of soil DOM was mainly composed of humic-like and fulvic-like substances with a clear terrestrial origin and that the organic matter showed a high degree of decomposition characteristics. The results indicated that the composition of soil DOM is mainly composed of humic and fulvic acid-like substances, and they have obvious characteristics of terrestrial origin. In addition, the soil organic matter showed high decomposition characteristics. The complex stability constants (lgKM) of humic acid-like substances with Cu2+ follow the order of forest land (lgKM = 5.21), vegetable land (lgKM = 4.90), and dry farmland (lgKM = 4.88). The lgKM of fulvic acid-like substances with Cu2+ is in the order of dry farmland (lgKM = 4.51) and vegetable land (lgKM = 4.39). Humic acid-like substances in soil DOM combine preferentially with Cu2+, showing a stronger chelating affinity than fulvic acid-like substances. Cu2+ complexes mainly include hydroxyl, phenolic hydroxyl and amino functional groups are included in soil DOM, accompanied by redox reactions. In comparison to dry farmland, the soil DOM in forest and vegetable fields undergoes more intense redox reactions simultaneously with the chelation of Cu2+. Therefore, the application of organic fertilisers to vegetable and forest soils may lead to uncertainties concerning the fate of heavy metals with variable chemical valence. These results contribute to a deeper understanding of the interaction mechanisms between DOM and Cu2+ in agricultural soils.

Potential application of body fluids autofluorescence in the non-invasive diagnosis of endometrial cancer.

Endometrial carcinoma (EC) is the most common cancer of the female reproductive tract in developed countries. The prognosis and 5-year survival rates are closely tied to the stage diagnosis. Current routine diagnostic methods of EC are either lacking specificity or are uncomfortable, invasive and painful for the patient. As of now, the gold diagnostic standard is endometrial biopsy. Early and non-invasive diagnosis of EC requires the identification of new biomarkers of disease and a screening test applicable to routine laboratory diagnostics. The application of untargeted metabolomics combined with artificial intelligence and biostatistics tools has the potential to qualitatively and quantitatively represent the metabolome, but its introduction into routine diagnostics is currently unrealistic due to the financial, time and interpretation challenges. Fluorescence spectral analysis of body fluids utilizes autofluorescence of certain metabolites to define the composition of the metabolome under physiological conditions. This review highlights the potential of fluorescence spectroscopy in the early detection of EC. Data obtained by three-dimensional fluorescence spectroscopy define the quantitative and qualitative composition of the complex fluorescent metabolome and are useful for identifying biochemical metabolic changes associated with endometrial carcinogenesis. Autofluorescence of biological fluids has the prospect of providing new molecular markers of EC. By integrating machine learning and artificial intelligence algorithms in the data analysis of the fluorescent metabolome, this technique has great potential to be implemented in routine laboratory diagnostics.

The Characteristics of Luminescence from High-Temperature- and High-Pressure-Treated Diamonds

High-temperature and high-pressure (HTHP)-treated diamonds have attracted attention all over the world due to their vivid colors. In order to explore a new method for the rapid and non-destructive identification of HTHP-treated diamonds, in this paper, five IaAB-type diamonds yielded in Russia were selected as the research object and treated with HTHP. The HTHP-treated diamonds were investigated by DiamondViewTM, cathodoluminescence, micro-infrared spectrometry (micro-IR), low-temperature photoluminescence (PL) spectrometry, and three-dimensional (3D) fluorescence spectrometry. The results show that under DiamondViewTM and cathode rays, the five samples were all non-phosphorescent with different luminous patterns, such as regular annular bands, multiple groups of intersecting linear stripes, or jagged stripes. In the low-temperature PL spectra, most HTHP-treated diamonds exhibited stronger luminescence peaks at 637 nm compared to 575 nm. But there were also exceptions, such as the purple-red sample showing the opposite luminescence peak. In the 3D fluorescence spectrum of the HTHP-treated diamonds, the fluorescence peak mainly appeared in the range of 440–450 nm, accompanied by a broad band of 350–500 nm and even longer wavelengths. Meanwhile, some samples also exhibited fluorescence peaks at longer wavelengths, such as 353 nm, 676 nm, and 665 nm. These results make it possible to identify HTHP-treated diamonds by using luminescence characteristics, providing a new method for the non-destructive and rapid detection of HTHP-treated diamonds.

The interaction between troxerutin and pepsin was studied by multispectral method and molecular docking simulation

The mechanism of action and quenching mode between troxerutin and pepsin were investigated in this study using ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, fluorescence spectroscopy, three-dimensional fluorescence spectroscopy, synchronous fluorescence spectroscopy, circular binary chromatography, and molecular docking simulation. The fluorescence spectroscopy results demonstrated a reduction in the fluorescence intensity of pepsin upon addition of troxerutin, indicating its quenching effect on pepsin. By employing the Stern-Volmer equation to determine KSV and Kq values, it can be inferred that troxerutin exhibits static quenching as the predominant mode of interaction with pepsin. By conducting experiments, the binding constant KA and the number of binding sites n for troxerutin and pepsin were determined, with the number of binding sites n being close to 1, indicating the presence of a specific binding site between troxerutin and pepsin. Thermodynamic analysis was employed to calculate the thermodynamic parameters at 298 K. The negative values of ΔH and ΔS suggest that van der Waals forces and hydrogen bonding are predominant in mediating the interaction between troxerutin and pepsin. The negativity of ΔG indicates the spontaneity of the reaction. The results of molecular docking simulations demonstrate that troxerutin binds to the central active region of pepsin, with hydrogen bonds, van der Waals forces, hydrophobic interactions and adverse collisions contributing to the binding forces between troxerutin and pepsin. Based on the analysis of UV–vis absorption spectrum, three-dimensional fluorescence spectrum, synchronous fluorescence spectrum, and infrared spectrum, it is evident that troxerutin modulates the microenvironment surrounding tryptophan amino acid residues in pepsin. This modulation leads to a reduction in polarity and hydrophilicity while increasing hydrophobicity, consequently inducing alterations in the secondary structure of pepsin. By measuring the binding distance, it is calculated that 0.5 R0 < r < 1.5 R0 and r < 7 nm, indicating the occurrence of non-radiative energy transfer between troxerutin and pepsin. Analysis of the circular dichroism spectrum confirms that pepsin predominantly adopts a β-folded (β-sheet) conformation, providing evidence for the interaction between troxerutin and pepsin. Furthermore, troxerutin induces alterations in the microenvironment of pepsin's structure, ultimately resulting in changes to its secondary structure. These findings shed light on the binding mechanism underlying troxerutin and pepsin interactions while offering valuable reference data for future research and applications involving troxerutin.

Effect of nitrogen retention composite additives Ca(H2PO4)2 and MgSO4 on the degradation of lignocellulose, compost maturation, and fungal communities in compost.

This study investigated the effects of the nitrogen retention composite additives Ca(H2PO4)2 and MgSO4 on lignocellulose degradation, maturation, and fungal communities in composts. The study included control (C, without Ca(H2PO4)2 and MgSO4), 1% Ca(H2PO4)2 + 2% MgSO4 (CaPM1), 1.5% Ca(H2PO4)2 + 3% MgSO4 (CaPM2). The results showed that Ca(H2PO4)2 and MgSO4 enhanced the degradation of total organic carbon (TOC) and promoted the degradation of lignocellulose in compost, with CaPM2 showing the highest TOC and lignocellulose degradation. Changes in the three-dimensional excitation-emission matrix fluorescence spectroscopy (3D-EEM) of dissolved organic matter (DOM) components in compost indicated that the treatment group with the addition of Ca(H2PO4)2 and MgSO4 promoted the production of humic acids (HAs) and increased the degree of compost decomposition, with CaPM2 demonstrating the highest degree of decomposition. The addition of Ca(H2PO4)2 and MgSO4 modified the composition of the fungal community. Ca(H2PO4)2 and MgSO4 increased the relative abundance of Ascomycota, decreased unclassified_Fungi, and Glomeromycota, and activated the fungal genera Thermomyces and Aspergillus, which can degrade lignin and cellulose during the thermophilic stage of composting. Ca(H2PO4)2 and MgSO4 also increased the abundance of Saprotroph, particularly undefined Saprotroph. In conclusion, the addition of Ca(H2PO4)2 and MgSO4 in composting activated fungal communities involved in lignocellulose degradation, promoted the degradation of lignocellulose, and enhanced the maturation degree of compost.

Structure and composition of dissolved organic matters in sludge by ultrasonic treatment

The leaching of dissolved organic matter (DOM) from the sludge into the liquid phase is induced by ultrasound. However, there is limited investigation into the structure and molecular composition of sludge DOM in this process. The molecular structure and composition of sludge DOM in ultrasonic treatment were comprehensively elucidated in this study. The sludge dissolved organic carbon (DOC) and three-dimensional fluorescence spectroscopy (3D-EEM) image had most significant change at 15-min ultrasonic time and 1.2 W/mL ultrasonic density, respectively. Gas Chromatography-Mass Spectrometry (GC-MS) analysis indicated that ultrasonic treatment of sludge reduced the macromolecules to small molecules in DOM. Then, electrospray ionization Fourier-transform ion cyclotron resonance mass spectrometry (ESI FT-ICR-MS) analysis revealed that lignin, tannins, and carbohydrates were the main components of sludge DOMs after ultrasound treatment. analysis revealed that lignin, tannins, and carbohydrates were the main components of sludge DOMs after ultrasound treatment. Furthermore, through the Van Krevelen analysis, the major components were CHO (48.50%) and CHOS (23.20%) in the DOM of ultrasonicated sludge. This research provides the basis for the practical application of ultrasonic treatment of sludge and provides basic information for DOM components.

Interaction and Binding Kinetics of Different Substituted Pyrazines with HSA: Based on Multispectral, Physiological Activity, and Molecular Dynamics Simulations

Pyrazine is a kind of compound containing pyrazine ring structure, which has attracted the attention of researchers because of its special aroma and healthcare function. It is currently used in spices, pharmaceuticals, food additives, and other industries. Human serum albumin (HSA) is a transport and storage protein in the human circulatory system. Previous research reported that pyrazine can interact with albumin, but the interaction between pyrazine and HSA has not been reported. Consequently, this study is based on the multispectral method and molecular dynamics (MD) simulation, exploring the interaction between different pyrazines and HSA. The results show that the four pyrazines mainly quench the endogenous fluorescence of HSA through the static quenching mechanism. Molecular docking indicates that hydrophobic forces play a major role in the binding of pyrazines with HSA. At the same time, synchronous fluorescence spectroscopy, circular dichroism (CD), three-dimensional fluorescence spectroscopy, and resonance light scattering (RLS) showed that each pyrazine compound can change the conformation of HSA. MD simulation results show that the combination of four pyrazines and HSA can enhance the stability of HSA. Among them, 2,3,5,6-tetramethylpyrazine (TTMP) and 2,3,5-trimethylpyrazine (TMTP) binding is the most stable and the most unstable combination with HSA, respectively. In addition, the four pyrazines could affect the physiological activity of HSA. This study is of great significance to explore the mechanism of action of pyrazine compounds in vivo and can provide useful information for the application of pyrazine compounds in food.

Feasibility of ultrafiltration-based processes for simultaneous removal of trace-level ofloxacin and sulfamethazine from the effluent of WWTPs

The emergence of emerging contaminants, especially antibiotics, poses a great challenge to the traditional treatment processes in wastewater treatment plants (WWTPs) due to their non-biodegradable and toxic properties. In this study, the potential of UF-based processes for concurrently removing trace-amount (ng/L-μg/L) ofloxacin (OFC) and sulfamethazine (SMT) from the real effluent of WWTPs was assessed. The operational conditions of single UF were firstly optimized including molecular weight cut-off (50 kDa) and filtration pressure (25 kPa) with the maximum OFC and SMT retention of 60.65 ± 1.61 % and 50.21 ± 2.11 %, respectively. The impacts of dissolved organic matter (DOM) and NO3− on UF for the concurrent abatement of antibiotics were explored. It was noteworthy that DOM (below 25 mg/L) could enhance OFC abatement by UF, whereas NO3− was adverse for the concurrent abatement of OFC and SMT. The optimal combining sequence of UF and O3 processes for concurrently removing OFC and SMT from the effluent of WWTPs was also investigated. Compared with O3-UF, UF-O3 demonstrated a higher efficiency for concurrent elimination of OFC and SMT. The tech-economic feasibility analysis indicated that UF-O3 could provide one promising option for simultaneously removing OFC and SMT from the WWTPs effluent due to its relatively low potential ecological risks based on UV254 removal, acute toxicity and three-dimensional fluorescence spectroscopy (3D-EEM) and excellent cost-effectiveness (the operating cost is about 0.35 CNY/m3).

Adsorption of humic acid from different organic solid waste compost to phenanthrene, is fluorescence excitation or quenching?

Humic acid (HA) from different organic solid waste (OSW) compost has been shown good adsorption properties for phenanthrene. However, the raw material of HA can affect its structure, resulting in differences in adsorption capacity. Therefore, this study focused on the adsorption characteristics of phenanthrene by HA from different OSW compost. In this work, chicken manure (CM), rice straw (RS) and lawn waste (LW) were selected as sources of composted HA. The adsorption mechanism of HA from different OSW compost were revealed through analytical techniques including three-dimensional fluorescence spectroscopy (EEM), two-dimensional correlation spectroscopy (2DCOS), and Fourier-transform infrared spectroscopy (FTIR). The results suggested that HA from LW compost had a better adsorption affinity for phenanthrene because of its more complex fluorescent component, where C1 as a simple component determined the adsorption process specifically. Furthermore, after HA from LW compost adsorbed phenanthrene, the increase in aromatic –COOH and –NH was the main reason for fluorescence quenching. These results indicated that HA from LW compost had better adsorption effect for phenanthrene. The results of this study were expected to provide a selection scheme for the control of phenanthrene pollution and environmental remediation.