Novel films of pectin extracted from ambarella fruit peel and jackfruit seed slimy sheath: Effect of ionic crosslinking on the properties of pectin film.

Here, we prepared ionically crosslinked films using pectin extracted from agro-wastes, specifically ambarella peels (AFP) and jackfruit seed slimy sheath (JFS). Physiochemical properties of pectins, including moisture content, molecular weight (Mw), degree of esterification (DE), and galacturonic acid (GA), were analyzed. Optimal extraction was determined, i.e., citric acid concentration 0.3 M, time 60 min, solid/liquid ratio 1:25, and temperature 90 °C for AFP or 85 °C for JFS. Pectin yields under these conditions were 29.67 % ± 0.35 % and 29.93 ± 0.49 %, respectively. AFP pectin revealed Mw, DE, and GA values of 533.20 kDa, 67.08 % ± 0.68 %, and 75.39 ± 0.82 %, while JFS pectin exhibited values of 859.94 kDa, 63.04 % ± 0.47 %, and 78.63 % ± 0.71 %, respectively. The pectin films crosslinked with Ca2+, Cu2+, Fe3+, or Zn2+ exhibited enhanced tensile strength and Young's modulus, along with reduced elongation at break, moisture content, water solubility, water vapor permeability, and oxygen permeability. Structural analyses indicated metal ions were effectively crosslinked with carboxyl groups of pectin. Notably, the Cu2+-crosslinked film demonstrated superior water resistance, mechanical properties, and exhibited the highest antioxidant and antibacterial activities among all tested films. Therefore, the pectin films represent a promising avenue to produce eco-friendly food packaging materials with excellent properties.

A computational and experimental study of cis-trans isomeric pesticides based on collision-induced dissociation of high-resolution mass spectrometry.

RATIONALE: Pesticide isomers are widely available in agricultural production and may vary widely in biological activity, potency, and toxicity. Chromatographic and mass spectrometric analysis of pesticide isomers is challenging due to structural similarities. METHODS: Based on liquid chromatography time-of-flight mass spectrometry, identification of cis-trans isomeric pesticides was achieved through retention time, characteristic fragment ions, and relative abundance ratio. Furthermore, theoretical and basic research has been conducted on the differences in characteristic fragment ions and their relative abundance ratios of cis-trans isomers. On the one hand, the cleavage pathways of six cis-trans isomers were elucidated through collision-induced dissociation to explain different fragment ions of the isomers. On the other hand, for those with the same fragment ions but different abundance ratios, energy-resolved mass spectrometry combined with computational chemical density functional theory in terms of kinetics, thermodynamics, and bond lengths was employed to explain the reasons for the differences in characteristic fragment ions and their abundance ratios. RESULTS: A high-resolution mass spectrometry method was developed for the separation and analysis of cis-trans isomers of pesticides in traditional Chinese medicine Radix Codonopsis, and six pesticide isomers were distinguished by retention time, product ions, and relative abundance ratios. The limits of quantification of the six pesticides were up to 10 µg/kg, and the linear ranges of them were 10-200 µg/kg, with coefficients of determination (R2) > 0.99, which demonstrated the good linearity of the six pesticides. The recoveries of the pesticides at spiked concentrations of 10, 20, and 100 µg/kg reached 70-120% with relative standard deviations ≤20%. CONCLUSIONS: It was demonstrated that the application of the method was well suited for accurate qualitative and quantitative analysis for isomers with different structures, which could avoid false-negative results caused by ignoring other isomers effectively.

Tradeoffs between pH, dissolved organic carbon, and mineral ions regulate cadmium uptake by Solanum hyperaccumulators in calcareous soil.

Soil solution pH and dissolved organic carbon (DOC) influence cadmium (Cd) uptake by hyperaccumulators but their tradeoff in calcareous soils is unclear. This study investigated the mechanisms of Solanum nigrum L. and Solanum alatum Moench in calcareous soil using a combination of concentration gradient experiments (0.6-100 mg Cd kg-1) and soil solution composition analysis. The results showed that the soil solution pH of S. nigrum remained stable despite Cd stress. On average, the soil solution pH of S. alatum was 0.23 units higher than that of S. nigrum, although pH decreased significantly under high Cd stress. In addition, the concentrations of potassium (K) and calcium (Ca) in the soil solution of S. nigrum increased and decreased under low and high levels of Cd stress, respectively. In S. alatum, the K and Ca concentrations in the soil solution generally increased with increasing Cd stress levels. Moreover, the level of DOC in the soil solution of both plants was higher under Cd stress compared to the control, and a gradually increasing trend with Cd stress level was observed in S. alatum. Consequently, the bioconcentration factors of the roots (2.62-19.35) and shoots (1.20-9.59) of both plants were >1, while the translocation factors were <1, showing an obstacle of Solanum hyperaccumulators in transferring Cd into their aboveground parts. Redundancy analysis revealed that the Cd concentration in S. nigrum roots was significantly negatively correlated with the soil solutions of K and Ca. In contrast, Cd concentrations in S. alatum roots and shoots were significantly positively correlated with soil solution DOC, K, and Ca but negatively correlated with pH. Our results suggest that calcareous soil neutralizes the acidity of released protons but does not affect cation exchange, inhibiting DOC in assisting the translocation of Cd within plants.

Fine-Scale Characterization of Plant Diterpene Glycosides Using Energy-Resolved Untargeted LC-MS/MS Metabolomics Analysis.

Plant diterpene glycosides are essential for diverse physiological processes. Comprehensive structural characterization proved to be a challenge due to variations in glycosylation patterns, diverse aglycone structures, and the absence of comprehensive reference databases. In this study, a method for fine-scale characterization was proposed based on energy-resolved (ER) untargeted LC-MS/MS metabolomics analysis using steviol glycosides as a demonstration. Energy-dependent fragmentation patterns were unveiled by a series of model compounds. Distinct glycosylation sites were discerned by leveraging varying fragmentation energies for the precursor ions. The sugar moiety linkage at C19OOH (R1) exhibited facile and intact cleavage at low collision energies, while the sugar moiety at C13-OH (R2) demonstrated consecutive cleavage with increasing energy. Aglycone ions exhibited a higher relative intensity at NCE 50, with relative intensities ranging from 95% to 100%. Subsequently, aglycone candidates, R1 sugar composition, and R2 sugar sequence were deduced through ER-MS/MS analysis. The developed method was applied to Stevia rebaudiana leaves. A total of 91 diterpene glycosides were unambiguously identified, including 16 steviol glycosides with novel acetylglycosylation patterns. This method offers a rapid alternative for glycan analysis and the structural differentiation of isomers. The developed method enhances the understanding of diterpene glycosides in plants, providing a reliable tool for the in-depth characterization of complex metabolite profiles.

Effects of dietary rumen-protected choline supplementation to periparturient dairy cattle on inflammation and metabolism in mammary and liver tissue during an intramammary lipopolysaccharide challenge.

The objective of this experiment was to examine the effects of supplementation and dose of rumen-protected choline (RPC) on markers of inflammation and metabolism in liver and mammary tissue during an intramammary lipopolysaccharide (LPS) challenge. Parous Holstein cows were blocked by calving month and randomly assigned within block to receive 45 g/d of RPC (20.4 g/d of choline ions; CHOL45), 30 g/d of RPC (13.6 g/d of choline ions; CHOL30), or no RPC (CON) as a top-dress starting 24 d before expected calving until 21 d postpartum. Cows were alternately assigned within treatment group to either receive an intramammary LPS challenge (200 µg in each rear quarter; Escherichia coli O111:B4) or not at 17 DIM (CHOL45, n = 9; CHOL45-LPS, n = 9; CHOL30, n = 11; CHOL30-LPS, n = 10; CON, n = 10; CON-LPS, n = 9). Hepatic and mammary tissues were collected from all cows on d 17 postpartum. Hepatic and mammary tissues were collected at ∼7.5 and 8 h, respectively, after the LPS challenge. An additional mammary biopsy was conducted on LPS-challenged cows (CHOL45-LPS, CHOL30-LPS, and CON-LPS) at 48 h postchallenge. Hepatic and mammary RNA copy numbers were quantified for genes involved in apoptosis, methylation, inflammation, oxidative stress, and mitochondrial function using NanoString technology. Targeted metabolomics was conducted only on mammary tissue samples (both 8 and 48 h biopsies) to quantify 143 metabolites including choline metabolites, amino acids, biogenic amines and derivatives, organic acids, carnitines, and glucose. Hepatic IFNG was greater in CHOL45 as compared with CON in unchallenged cows, suggesting an improvement in type 1 immune responses. Hepatic CASP3 was greater in CHOL45-LPS as compared with CON-LPS, suggesting greater apoptosis. Mammary IL6 was reduced in CHOL30-LPS cows as compared with CHOL45-LPS and CON-LPS (8 and 48 h). Mammary GPX4 and COX5A were reduced in CHOL30-LPS as compared with CON-LPS (8 h), and SDHA was reduced in CHOL30-LPS as compared with CON-LPS (8 and 48 h). Both CHOL30-LPS and CHOL45-LPS cows had lesser mammary ATP5J than CON-LPS, suggesting that dietary RPC supplementation altered mitochondrial function following LPS challenge. Treatment did not affect mammary concentrations of any metabolite in unchallenged cows, and only 4 metabolites were affected by dietary RPC supplementation in LPS-challenged cows. Mammary concentrations of isobutyric acid and 2 acyl-carnitines (C4:1 and C10:2) were reduced in CHOL45-LPS as compared with CHOL30-LPS and CON-LPS. Taken together, reductions in medium- and short-chain carnitines along with an increase in long-chain carnitines in mammary tissue from CHOL45-LPS cows suggests less fatty acid entry into the ß oxidation pathway. Although the intramammary LPS challenge profoundly affected markers for inflammation and metabolism in liver and mammary tissue, dietary RPC supplementation had minimal effects on inflammatory markers and the mammary metabolome.

Salivary elemental signature of dental caries: a systematic review and meta-analysis of ionomics studies.

Trace- and macro-chemical elements are crucial for cellular physiological functioning, and their alterations in biological fluids might be associated with an underlying pathological state. Hence, this study aimed to examine and summarize the published literature concerning the application of salivary ionomics for caries diagnosis. An extensive search of studies was conducted using PubMed, EMBASE, Web of Science, and Scopus, without any language and year restriction for answering the following PECO question: "In subjects (i.e., children, adolescents, or adults) with good systematic health, are there any variations in the salivary concentrations of trace- or macro-elements between caries-free (CF) individuals and caries-active (CA) subjects?" A modified version of the QUADOMICS tool was used to assess the quality of the included studies. The Review Manager Version 5.4.1. was used for data analyses. The analysis of salivary chemical elements that significantly differed between CF and CA subjects was also performed. Thirty-four studies were included, involving 2299 CA and 1669 CF subjects, having an age range from 3 to 64 years in over 16 countries. The meta-analysis revealed a statistically significant difference (p < 0.05) in the salivary levels of calcium, phosphorus, chloride, magnesium, potassium, sodium, and zinc between CA and CF subjects, suggesting higher levels of calcium, phosphorus, potassium, and sodium in CF subjects while higher levels of chloride, magnesium, and zinc in CA patients. Half of the included studies (17/34) were considered high quality, while the remaining half were considered medium quality. Only zinc and chloride ions were found to be higher significantly and consistent in CF and CA subjects, respectively. Conflicting outcomes were observed for all other salivary chemical elements including aluminum, bromine, calcium, copper, fluoride, iron, potassium, magnesium, manganese, sodium, ammonia, nitrite, nitrate, phosphorus, lead, selenium, and sulfate ions.

Biogenic synthesis of iron oxide nanoparticles using leaf extract of Spilanthes acmella: antioxidation potential and adsorptive removal of heavy metal ions.

The sequestration of contaminants from wastewater, such as heavy metals, has become a major global issue. Multiple technologies have been developed to address this issue. Nanotechnology is attracting significant interest as a new technology, and numerous nanomaterials have been produced for sequestrating heavy metals from polluted water due to their superior properties arising from the nanoscale effect. This study reports biosynthesis of iron oxide nanoparticles (IO-NPs) and their applications for adsorptive sequestration of various metal ions from aqueous solutions. Biosynthesis of IO-NPs has been carried out by using leaf extract of Spilanthes acmella, a medicinal plant. FTIR analysis of the leaf extract and biosynthesized IO-NPs marked the role of various functional groups in biosynthesis of IO-NPs. FESEM analysis revealed the average size range of IO-NPs as 50 to 80 nm, while polydisperse nature was confirmed by DLS analysis. EDX analysis revealed the presence of Fe, O, and C atoms in the elemental composition of the NPs. The antioxidant potential of the biosynthesized IO-NPs (IC50 = 136.84 µg/mL) was confirmed by DPPH assay. IO-NPs were also used for the adsorptive removal of As3+, Co2+, Cd2+, and Cu2+ ions from aqueous solutions with process optimization at an optimized pH (7.0) using dosage of IO-NPs as 0.6 g/L (As3+ and Co2+) and 0.8 g/L (Cd2+ and Cu2+). Adsorption isotherm analysis revealed the maximum adsorption efficiency for As3+ (21.83 mg/g) followed by Co2+ (20.43 mg/g), Cu2+ (15.29 mg/g), and Cd2+ (13.54 mg/g) using Langmuir isotherm model. The biosynthesized IO-NPs were equally efficient in the simultaneous sequestration of these heavy metal ions signifying their potential as effective nanoadsorbents.

Synergistic effect of ion-releasing fillers on the remineralization and mechanical properties of resin-dentin bonding interfaces.

In modern restorative dentistry, adhesive resin materials are vital for achieving minimally invasive, esthetic, and tooth-preserving restorations. However, exposed collagen fibers are found in the hybrid layer of the resin-dentin bonding interface due to incomplete resin penetration. As a result, the hybrid layer is susceptible to attack by internal and external factors such as hydrolysis and enzymatic degradation, and the durability of dentin bonding remains limited. Therefore, efforts have been made to improve the stability of the resin-dentin interface and achieve long-term clinical success. New ion-releasing adhesive resin materials are synthesized by introducing remineralizing ions such as calcium and phosphorus, which continuously release mineral ions into the bonding interface in resin-bonded restorations to achieve dentin biomimetic remineralization and improve bond durability. As an adhesive resin material capable of biomimetic mineralization, maintaining excellent bond strength and restoring the mechanical properties of demineralized dentin is the key to its function. This paper reviews whether ion-releasing dental adhesive materials can maintain the mechanical properties of the resin-dentin bonding interface by supplementing the various active ingredients required for dentin remineralization from three aspects: phosphate, silicate, and bioactive glass.

An advanced treatment process for 3-high wastewater discharged from crude oil storage tanks.

The wastewater discharged from crude oil storage tanks (WCOST) contains high concentrations of salt and metal iron ions, and high chemical oxygen demand (COD). It belongs to "3-high" wastewater, which is difficult for purification. In this study, WCOST treatments were comparatively investigated via an advanced pretreatment and the traditional coagulation-microfiltration (CMF) processes. After WCOST was purified through the conventional CMF process, fouling occurred in the microfiltration (MF) membrane, which is rather harmful to the following reverse osmosis (RO) membrane unit, and the effluent featured high COD and UV254 values. The analysis confirmed that the MF fouling was due to the oxidation of ferrous ions, and the high COD and UV254 values were mainly attributable to the organic compounds with small molecular sizes, including aromatic-like and fulvic-like compounds. After the pretreatment of the advanced process consisting of aeration, manganese sand filtration, and activated carbon adsorption in combination with CMF process, the removal efficiencies of organic matter and total iron ions reached 97.3% and 99.8%, respectively. All the water indexes of the effluent, after treatment by the advanced multi-unit process, meet well the corresponding standard. The advanced pretreatment process reported herein displayed a great potential for alleviating the MF membrane fouling and enhanced the lifetime of the RO membrane system in the 3-high WCOST treatment.

Fog and rain water chemistry in a tea plantation of northern Taiwan.

Tea plantations are expanding globally and many are in mountainous areas with frequent fog but few studies have examined fog chemistry in these areas. We examined chemical composition of fog and rain water at a tea plantation in northern Taiwan. Fog water was collected using a Kroneis passive cylindrical fog-water collector and rain water was collected using a 20-cm-diameter funnel. The most abundant ions were Cl- and Na+ in both fog and rain waters due to the proximity of the site to the coast. The order of abundance of other ions was NO3- > Mg2+ > SO42- > Ca2+ > NH4+ > K+ > H+ in fog water and SO42- > K+ > NO3- > NH4+ > Ca2+ > Mg2+ > H+ in rain water. The concentration enrichment ratio (fog to rain) ranged between 2.2 (K+) and 22 (Mg2+) lying between sites near major emission sources and sites in remote areas, possibly because the immediate surrounding landscape is covered with secondary forests although it is near large cities. Factor analysis highlights the influences of sea-salt aerosols on the variation of fog and rain water chemistry. Sea-salt corrections using Na+ as the sea salt tracer led to negative concentrations of Cl- and Mg2+ suggesting that assumptions involved in sea-salt corrections were not satisfied. Agriculture influence is identified as a unique factor for explaining variance of K+, NH4+, and dissolved organic nitrogen (DON) concentrations in fog water but not rain water. Ion concentrations in fog and rain water were generally higher in the weekly samples associated with air trajectories passing through the continental East Asia than those associated with oceanic trajectories pointing to the role of regional pollution sources in affecting local fog and rain water chemistry. Our study highlights greater effects of tea agriculture on fog than rain water chemistry.

Comprehensive Identification of Ginsenosides in the Roots and Rhizomes of Panax ginseng Based on Their Molecular Features-Oriented Precursor Ions Selection and Targeted MS/MS Analysis.

Panax ginseng is widely used in Asian countries and its active constituents-ginsenosides-need to be systematically studied. However, only a small part of ginsenosides have been characterized in the roots and rhizomes of panax ginseng (RRPG) up to date, mainly because of a lack of the fragmentation ions of many more ginsenosides. In order to comprehensively identify ginsenosides in RRPG, molecular features of ginsenosides orienting precursor ions selection and targeted tandem mass spectrometry (MS/MS) analysis strategy were proposed in our study, in which the precursor ions were selected according to the molecular features of ginsenosides irrespective of their peak abundances, and targeted MS/MS analysis was then performed to obtain their fragmentation ions for substance characterization. Using this strategy, a total of 620 ginsenosides were successfully characterized in RRPG, including 309 protopanaxadiol-type ginsenosides, 258 protopanaxatriol-type ginsenosides and 53 oleanane-type ginsenosides. It is worth noting that, except for the known aglycones mass-to-charge ratio (m/z) 459, 475 and 455, twelve other aglycones, including m/z 509, 507, 493, 491, 489, 487, 477, 473, 461, 457, 443 and 441, were first reported in our experiment and they were probably the derivatizations of the protopanaxatriol and protopanaxadiol. Our study will not only help people to improve the cognition of ginsenosides in RRPG, but will also play a guiding and reference role for the isolation and characterization of potentially new ginsenosides from RRPG.

Comprehensive profiling of chemical composition of Gleditsiae spina using ultra-high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry.

RATIONALE: Gleditsiae spina (GS) is an important herb used in traditional and folk medicinal systems of East Asian countries for its various medicinal properties. In China, it has been traditionally used through the centuries for its anticancer, detoxication, detumescence, apocenosis, and antiparasitic effects. Although some of its ingredients have been isolated and identified, most active constituents remain unknown. Past research mostly exploited nuclear magnetic resonance for the identification of compounds, which is suitable for monomers only. Moreover, the extraction and isolation procedures for obtaining purified molecules are time consuming. Therefore, establishing an efficient approach will assist in rapid discovery of the potential active ingredients of GS. The present study aimed to identify the chemical constituents in GS by a data analysis strategy using ultra-high-performance liquid chromatography combined with quadrupole time-of-flight tandem mass spectrometry. METHODS: First, the theoretical formula of the candidate compound was calculated using the accurate mass of the precursor/adduct ions. Second, the compounds were classified by the diagnostic ions from the MS/MS data. Third, characteristic ion filtering was used to identify the structures. Finally, the diverse skeletons and substitutions were further identified through the neutral loss in the GS. RESULTS: A total of 277 compounds were identified in GS, comprising 169 flavonoids, 70 lignans, and 38 other compounds. At least 43 potential new compounds were represented. CONCLUSIONS: This experiment devised an efficient and systematic method for detecting complex compounds and provided a foundation for future research into bioactive ingredients and quality control of GS.

Rapid adsorption of selenium removal using iron manganese-based micro adsorbent.

Selenium in wastewater is of particular concern due to its increasing concentration, high mobility in water, and toxicity to organisms; therefore, this study was carried out to determine the removal efficiency of selenium using iron and manganese-based bimetallic micro-composite adsorbents. The bimetallic micro-composite adsorbent was synthesized by using the chemical reduction method. Micro-particles were characterized by using energy-dispersive X-ray spectroscopy for elemental analysis after adsorption, which confirms the adsorption of selenium on the surface of the micro-composite adsorbent, scanning electron microscopy, which shows particles are circular in shape and irregular in size, Brunauer-Emmett-Teller which results from the total surface area of particles were 59.345m2/g, Zeta particle size, which results from average particles size were 39.8 nm. Then it was applied to remove selenium ions in an aqueous system. The data revealed that the optimum conditions for the highest removal (95.6%) of selenium were observed at pH 8.5, adsorbent dosage of 25 mg, and contact time of 60 min, respectively, with the initial concentration of 1 ppm. The Langmuir and Freundlich isotherm models match the experimental data very well. The results proved that bimetallic micro-composite could be used as an effective selenium adsorbent due to the high adsorption capacity and the short adsorption time needed to achieve equilibrium. Regarding the reusability of bimetallic absorbent, the adsorption and desorption percentages decreased from 50 to 45% and from 56 to 53%, respectively, from the 1st to the 3rd cycle.

Integration of offline two-dimensional chromatography and mass defect filtering-based precursor ion list data acquisition for targeted characterization of diterpenoid alkaloids in the lateral roots of Aconitum carmichaelii.

The hyphenated technique of offline two-dimensional (2D) chromatography with high resolution mass spectrometry (MS) was an efficient tool for separation and characterization of components in complex systems such as herbal medicines, especially those co-eluting components or isomers. In this study, we constructed the ultra-performance convergence chromatography (UPC2) × reversed phase (RP) chromatographic separation system and developed a mass defect filtering (MDF)-based precursor ion list (PIL) acquisition method to improve the selectivity and sensitivity of this technique, and the systematic characterization of diterpenoid alkaloids in the lateral roots of Aconitum carmichaelii (namely "Fuzi" in Chinese) was used as an example. The constructed offline 2D separation system showed a good orthogonality of 0.77. Besides, the in-house databases for known and predicted C19- and C20-diterpenoid alkaloids were established by molecular design in Compound Discoverer software for MS data matching and filtering, and two MDF windows were further constructed to screen out more potential diterpenoid alkaloids with novel structures and to obtain the PIL (mass range: even values between 298 and 1020 Da, parent mass width: ±100 mDa) for data acquisition by calculating the m/z values of potential ions using mass range and corresponding mass defect in the MDF windows. In addition, an integrative structure interpretation strategy was developed by integrating elemental composition analysis, ring double bond analysis, neutral loss filtering, diagnostic ion filtering and database matching, etc. As a result, a total of 659 components in the lateral roots of A. carmichaelii were exposed and characterized, including 526 potential new compounds. This strategy showed significant advantages in improving the coverage and selectivity of screening, and could also be applied in systematic characterization of components in other herbal medicines.

[Applications of ion mobility-mass spectrometry in the chemical analysis in traditional Chinese medicines].

Ion mobility-mass spectrometry (IM-MS) is a combination of ion mobility separation and mass spectrometry technologies. In IM-MS, analytes are ionized by the ion source to form gas-phase ions, which are then rapidly separated using ion mobility based on their mobility difference, under the influence of both neutral buffer gas and an electric field, and then traversed and detected using mass spectrometry, which can separate ions based on mass-to-charge ratio. Furthermore, IM-MS could provide not only mass-to-charge ratio parameters like MS1 and MS2 spectra but also new structural information for component identification like collision cross-section values, drift time, arrival time, compensation voltage, and so on, which can be employed to resolve complex chemical components, especially indistinguishable isomers using mass spectrometry alone. In recent years, with the development of IM-MS technologies, IM-MS has become more widely employed in chemical analysis in traditional Chinese medicines (TCMs). Firstly, IM-MS was been successfully used in the separation of complex TCMs complex extract from interfering isobaric species. Secondly, IM-MS also offers new types of MS/MS fragmentation modes, and the combination of IM separation and fragmentation modes enables the acquisition of more specific and detailed fragment ion spectra. Thirdly, the collision cross-section is introduced by IM-MS, which is a unique physicochemical property of a component. Related data post-processing strategies based on experimentally derived collision cross-section values have been continuously developed in recent years to make full use of the collision cross-section values, these data post-processing strategies include collision cross-section database matching, theoretical collision cross-section values matching, machine-learning-based collision cross-section values prediction matching, mass-to-charge ratio versus collision cross-section correlation trend lines and so on. In doing so, these diverse strategies can greatly enhance the reliability and accuracy of the structural annotation of TCM compounds. This review primarily briefly introduces the major types and basic principles of IM-MS. The applications of IM-MS in TCM chemical analysis are highlighted in this study. The current applications of IM-MS in improving TCM chemical component separation are summarized, followed by a discussion of several strategies for enhancing separation selectivity. This review also offers some new fragmentation modes, novel data acquisition approaches, and collision cross-section data post-processing strategies applied in TCM qualitative analysis. Finally, the prospect of IM-MS applied in TCM chemical analysis is also discussed. This review provides approaches and ideas for future IM-MS research on TCM's chemical analysis.

Uranium Determination in Waters, Wine and Honey by Solid Phase Extraction with New Ion Imprinted Polymer.

An analytical method for uranium determination in waters, wine and honey was developed based on solid phase extraction (SPE) with new ion imprinted polymer. The sorbent was synthesized using 4-(2-Pyridylazo)resorcinol (PAR) as a ligand via dispersion polymerization and characterized by SEM for morphology and shape of polymer particles and nitrogen adsorption-desorption studies for their surface area and total pore volume. The kinetic experiments performed showed that the rate limiting step is the complexation between U(VI) ions and chelating ligand PAR incorporated in the polymer matrix. Investigations by Freundlich and Langmuir adsorption isotherm models showed that sorption process occurs as a surface monolayer on homogeneous sites. The high extraction efficiency of synthesized sorbent toward U(VI) allows its application for SPE determination of U(VI) in wine and honey without preliminary sample digestion using ICP-OES as measurement method. The recoveries achieved varied: (i) between 88 to 95% for surface and ground waters, (ii) between 90-96% for 5% aqueous solution of honey, (iii) between 86-93% for different types of wine. The validity and versatility of proposed analytical methods were confirmed by parallel measurement of U in water samples using Alpha spectrometry and U analysis in wine and honey after sample digestion and ICP-MS measurement. The analytical procedure proposed for U determination in surface waters is characterized with low limits of detection/quantification and good reproducibility ensuring its application for routine control in national monitoring of surface waters. The application of proposed method for honey and wine samples analysis provides data for U content in traditional Bulgarian products.

Decontamination of water co-polluted by copper, toluene and tetrahydrofuran using lauric acid.

Co-contamination by organic solvents (e.g., toluene and tetrahydrofuran) and metal ions (e.g., Cu2+) is common in industrial wastewater and in industrial sites. This manuscript describes the separation of THF from water in the absence of copper ions, as well as the treatment of water co-polluted with either THF and copper, or toluene and copper. Tetrahydrofuran (THF) and water are freely miscible in the absence of lauric acid. Lauric acid separates the two solvents, as demonstrated by proton nuclear magnetic resonance (1H NMR) and Attenuated Total Reflection-Fourier Transform Infrared Spectroscopy (ATR-FTIR). The purity of the water phase separated from 3:7 (v/v) THF:water mixtures using 1 M lauric acid is ≈87%v/v. Synchrotron small angle X-Ray scattering (SAXS) indicates that lauric acid forms reverse micelles in THF, which swell in the presence of water (to host water in their interior) and ultimately lead to two free phases: 1) THF-rich and 2) water-rich. Deprotonated lauric acid (laurate ions) also induces the migration of Cu2+ ions in either THF (following separation from water) or in toluene (immiscible in water), enabling their removal from water. Laurate ions and copper ions likely interact through physical interactions (e.g., electrostatic interactions) rather than chemical bonds, as shown by ATR-FTIR. Inductively coupled plasma-optical emission spectrometry (ICP-OES) demonstrates up to 60% removal of Cu2+ ions from water co-polluted by CuSO4 or CuCl2 and toluene. While lauric acid emulsifies water and toluene in the absence of copper ions, copper salts destabilize emulsions. This is beneficial, to avoid that copper ions are re-entrained in the water phase alongside with toluene, following their migration in the toluene phase. The effect of copper ions on emulsion stability is explained based on the decreased interfacial activity and compressional rigidity of interfacial films, probed using a Langmuir trough. In wastewater treatment, lauric acid (a powder) can be mixed directly in the polluted water. In the context of groundwater remediation, lauric acid can be solubilized in canola oil to enable its injection to treat aquifers co-polluted by organic solvents and Cu2+. In this application, injectable filters obtained by injecting cationic hydroxyethylcellulose (HEC +) would impede the flow of toluene and copper ions partitioned in it, protecting downstream receptors. Co-contaminants can be subsequently extracted upstream of the filters (using pumping wells), to enable their simultaneous removal from aquifers.

Nano-modified feather keratin derived green and sustainable biosorbents for the remediation of heavy metals from synthetic wastewater.

In this study, we employed a facile method to synthesize feather keratin derived biosorbents using water dispersed graphene oxide. The successful cross-linking of feather keratin with graphene oxide was investigated through X-ray photoelectrons spectroscopy (XPS), scanning and transmission electron microscopy, and Brunauer-Emmett-Teller (BET) analysis. The modifications resulted in increased surface area of the keratin proteins with substantial morphological changes including the development of cracked and rough patches on the surface. The chicken feather keratin/graphene oxide based biosorbents exhibited excellent performance for the simultaneous removal of metal oxyanions including arsenic (As), selenium (Se), chromium (Cr) and cations including nickel (Ni), cobalt (Co), lead (Pb), cadmium (Cd) and zinc (Zn) up to 99%, from polluted synthetic water containing 600 µgL-1 of each metal concentration in 24 h. The insights into the biosorption mechanism revealed that the electrostatic interaction, chelation and complexation primarily contributed to the removal of multiple heavy metal ions in a single treatment. This study has demonstrated that modification of chicken feather keratin with graphene oxide is an effective way to improve its sorption capacity for removing multiple trace metal ions from contaminated water.

Rapid and easy ICP OES determination of selected major, minor and trace elements in Pu-erh tea infusions using the response surface methodology along with the joint desirability function approach.

A new analytical method was proposed for multielement (Al, Ba, Ca, Cu, Fe, K, Mg, Mn, Na, Sr and Zn) analysis of Pu-erh teas infusions by inductively coupled plasma optical emission spectrometry. The Box-Behnken response surface design together with individual desirability functions and the joint desirability function approach was applied to develop experimental conditions of this new procedure, being alternative to high-temperature wet digestion. The procedure involved the samples to be just 5-fold diluted with 1.7 mol L-1 HNO3. The proposed method was precise (relative standard deviations within 2-8%), true (relative errors from -8 to +6%) and guaranteed very good detectability (detection limits within 1-6 ng g-1, except for Ca and Fe). It was used for analysis of infusions of Pu-erh teas as well as to verify the effect of their preparation conditions (steeping water temperature, steeping time).

Waste tea residue adsorption coupled with electrocoagulation for improvement of copper and nickel ions removal from simulated wastewater.

The present research involves removing copper and nickel ions from synthesized wastewater by using a simple, cheap, cost-effective, and sustainable activated green waste tea residue (AGWTR) adsorption coupled with electrocoagulation (ADS/EC) process in the presence of iron electrodes. By considering previous studies, their adsorbents used for treating their wastewaters firstly activate them by applying either chemicals or activating agents. However, our adsorbent was prepared without applying neither chemicals nor any activating agents. The operating parameters such as pH, hydraulic retention time, adsorbent dose, initial concentration, current density, and operating cost for both metals were optimized. In ADS/EC, the removal efficiency was obtained as 100% for copper and 99.99% for nickel ions. After the ADS/EC process, Fourier transform infrared (FT-IR) spectroscopy, Scanning Electron Microscopy (SEM) and Energy-dispersive X-ray spectroscopy (EDS) analysis were used to characterize the adsorbent green waste tea residue. The adsorption isotherm and kinetic model results showed that the Langmuir and the pseudo-second-order were well-fitted to the experimental adsorption data better than the Freundlich and pseudo-first-order models for both Cu2+ and Ni2+ with their maximum adsorption capacity of 15.6 and 15.9 mg g-1, respectively. The above results give an option to recycle the metal-based industrial effluents, tea industry-based wastes, enabling a waste-to-green technique for adsorbing and removing the heavy metals and other pollutants in water.