LC-MS Analysis Research Articles

In-depth characterization of a cysteine-linked ADC disitamab vedotin by multiple LC-MS analysis methods and cutting-edge imaged capillary isoelectric focusing coupled with native mass spectrometry

The characterization of cysteine-linked antibody‒drug conjugates (ADCs) can be more challenging than that of monoclonal antibodies (mAbs) and lysine-linked ADCs because the interchain disulfide bonds are reduced for payload conjugation, and the chains are noncovalently bonded to each other. Furthermore, payload conjugation and disulfide bond reduction/scrambling may introduce additional charge heterogeneity to biomolecules. This study illustrates an innovative workflow employing multiple separation techniques and tandem high-resolution mass spectrometry for comprehensive and in-depth characterization of disitamab vedotin, a recent-generation cysteine-linked ADC, including reversed-phase liquid chromatography (RPLC), ion exchange chromatography (IEX) and image capillary isoelectric focusing (icIEF). RPLC was employed for reduced chains analysis, subunit analysis and peptide mapping. IEX and icIEF were used for charge heterogeneity analysis. The innovation of the integrated methodology emphasizes the importance of cutting-edge icIEF-MS online coupling under near-native conditions to reveal the heterogeneity of disitamab vedotin.

Chemical Characterization and Beneficial Effects of Walnut Oil on a Drosophila melanogaster Model of Parkinson's Disease.

A nutritional approach could be a promising strategy to prevent or decrease the progression of neurodegenerative disorders such as Parkinson's disease (PD). The neuroprotective role of walnut oil (WO) was investigated in Drosophila melanogaster treated with rotenone (Rot), as a PD model, WO, or their combination, and compared to controls. WO reduced mortality and improved locomotor activity impairment after 3 and 7 days, induced by Rot. LC-MS analyses of fatty acid levels in Drosophila heads showed a significant increase in linolenic (ALA) and linoleic acid (LA) both in flies fed with the WO-enriched diet and in those treated with the association of WO with Rot. Flies supplemented with the WO diet showed an increase in brain dopamine (DA) level, while Rot treatment significantly depleted dopamine content; conversely, the association of Rot with WO did not modify DA content compared to controls. The greater intake of ALA and LA in the enriched diet enhanced their levels in Drosophila brain, suggesting a neuroprotective role of polyunsaturated fatty acids against Rot-induced neurotoxicity. The involvement of the dopaminergic system in the improvement of behavioral and biochemical parameters in Drosophila fed with WO is also suggested.

Antioxidant Profile and Antidiabetic Effect of Oryza sativa var. Pulu Mandoti “Local Golden Rice” from Enrekang (Indonesia): In Silico Approach

Diabetes affects 537 million adults globally, with 19.47 million cases in Indonesia. It arises from insufficient or ineffective insulin production, leading to complications like nephropathy. Due to the adverse effects of conventional medications, there is a growing need for safer alternatives. Functional foods and bioactive compounds show promise in managing diabetes. One such alternative is rice. Indonesia boasts a unique rice variety known as Pulu Mandoti, exclusively cultivated in the Enrekang District, Makassar, Indonesia. This delightful red rice variant offers numerous nutritional benefits. Unlike white rice, red rice is abundant in essential nutrients such as calcium, zinc, magnesium, protein, and fiber. The study focused on Pulu Mandoti, exploring its potential for antidiabetic and antioxidant activities using LC-MS analysis. Twelve (12) compounds were identified within the 1.23–14.41-min retention time range, with Compound 11 (2,2'-methylenebis(dibenzo[b,d]thiophene)) showing the strongest antioxidant potential compared to vitamin C. In molecular docking, Compound 11 exhibited the lowest binding affinity for both alpha-amylase and alpha-glucosidase (–10.5 and –8.7 kcal/mol, respectively), whereas acarbose displayed the highest binding affinity. For antioxidant analysis, Compounds 11 and 5 demonstrated the lowest binding affinities for NADPH oxidase and xanthine oxidoreductase, respectively, whereas vitamin C showed the highest. The coefficient values for drug properties similarity ranged from 0.40–0.76 for antidiabetic drugs, with Compound 5 displaying the highest coefficient value (0.76) and from 0.41–0.68 for antioxidants, with the highest value observed for antioxidant peptide A acetate.

Efficient photocatalytic removal of plastic additive from simulated wastewater by guar gum-CuMn2O4 nanocomposite

Herein, a biocompatible nanocomposite based on guar gum (GG-CuMn2O4) was successfully synthesized and utilized for the elimination of toxic Allyl 2,4,6 tribromophenyl ether (ATE), a commonly used plastic additive. The research involved the green fabrication of CuMn2O4, which was then integrated into the polymeric matrix of guar gum to form GG-CuMn2O4 nanocomposite. The successful creation of the green-synthesized nanocomposite coated with a polymeric matrix at the nanoscale was confirmed by characterization. PXRD analysis revealed a semi-crystalline structure, while microscopic examinations committed the encapsulation of CuMn2O4 within a sheet-like structure in nanorange (1–100 nm). Incorporating the CuMn2O4 nanocomposite into the GG gel matrix reduced the likelihood of nanocomposite leaching, thereby enhancing material efficiency and biocompatibility. Highest removal of ATE (95 %) was achieved at a concentration of 5 mg L−1 with a catalytic dose of 10 mg, pH 7, and in the presence of Sunlight. The removal of the pollutant followed first-order kinetics, exhibiting Langmuir adsorption. The study examined the release dynamics of ATE from both underwater-expanded packaging materials and electrical wire components over various time intervals, concurrently assessing the degradation characteristics of the leached ATE. LC-MS analysis has corroborated that GG-CuMn2O4 demonstrates a profound capacity in disassembling intricate, hazardous pollutant structures into metabolites of enhanced safety, catalytically driven by Sunlight. The polymeric GG-CuMn2O4 nanocomposite exhibited remarkable reusability for up to ten consecutive cycles and advocated its sustainability efficiency and industrial applications.

Melatonin Alleviates Osteoarthritis by Regulating NADPH Oxidase 4-Induced Ferroptosis and Mitigating Mitochondrial Dysfunction.

Recent evidence indicates that the damaged regions in osteoarthritis are accompanied by the accumulation of iron ions. Ferroptosis, as an iron-dependent form of cell death, holds significant implications in osteoarthritis. Melatonin, a natural product with strong scavenging abilities against reactive oxygen species and lipid peroxidation, plays a crucial role in the treatment of osteoarthritis. This study aims to demonstrate the existence of ferroptosis in osteoarthritis and explore the specific mechanism of melatonin in suppressing ferroptosis and alleviating osteoarthritis. Our findings reveal that melatonin reverses inflammation-induced oxidative stress and lipid peroxidationwhile promoting the expression of extracellular matrix components in chondrocytes, safeguarding the cells. Our research has revealed that NADPH oxidase 4 (NOX4) serves as a crucial molecule in the ferroptosis process of osteoarthritis. Specifically, NOX4 is located on mitochondria in chondrocytes, which can induce disorders in mitochondrial energy metabolism and dysfunction, thereby intensifying oxidative stress and lipid peroxidation. LC-MS analysis further uncovered that GRP78 is a downstream binding protein of NOX4. NOX4 induces ferroptosis by weakening GRP78's protective effect on GPX4 and reducing its expression. Melatonin can inhibit the upregulation of NOX4 on mitochondria and mitigate mitochondrial dysfunction, effectively suppressing ferroptosis and alleviating osteoarthritis. This suggests that melatonin therapy represents a promising new approach for the treatment of osteoarthritis.

Design, synthesis, characterization, and biological activities of novel Ag(I)-NHC complexes based on 1,3-dioxane ligand

Herein, a series of new Ag(I)-NHC complexes containing 1,3-dioxane group were synthesized by the direct reaction of Ag2O and benzimidazolium salts in light-free conditions. All Ag(I)-NHC complexes were spectrally characterized using 1H, 13C NMR, FT-IR, LC-MS, and elemental analysis. Additionally, the structures of compounds 1a and 1e were elucidated by the single X-ray diffraction techniques. Further, the synthesized Ag(I)-NHC complexes were evaluated for cytotoxicity study on the L-929 cells and the anticancer activity against the HCT 116 and MCF-7 cancer cell lines. Notably, 1a showed significant anticancer activity against HCT 116 with an IC50 of 6.37 ± 0.92 μg/mL compared to cisplatin (IC50 = 36.75 ± 1.76 μg/mL). 1c (IC50 = 3.21 ± 1.96 μg/mL) and 1e (IC50 = 3.72 ± 1.12 μg/mL) exhibited significant anticancer activity against MCF-7 cells and was similar to cisplatin (IC50 = 32.17 ± 2.85 μg/mL). Meanwhile, 1a and 1e displayed the highest selectivity index. Most importantly, the cell viability test showed that 1e induced neglectable cytotoxicity (IC50 = 36.38 ± 2.27 μg/mL) toward L-929 and was similar to cisplatin (IC50 = 36.11 ± 2.09 μg/mL). The anticancer activities of Ag(I)-NHC complexes vary depending on the substituent group of the silver complex and the cell line type. Moreover, the inhibitory mechanism of 1e was not dependent on caspase-associated apoptosis initiated by the lysosomal-mitochondrial pathway. Taken together, we conclude that this work provides a simple and rapid protocol for the synthesis of Ag(I)-NHC complexes and the featured Ag(I)-NHC complexes have an anticancer drug potential for biomedical applications.

Profiling organic pollutants in environmental water by dansylation-based non-targeted liquid chromatography-high resolution mass spectrometry analysis

Monitoring organic pollutants in rainwater is important to understand relations between air pollutants and water safety. Non-targeted liquid chromatography–mass spectrometry (LC–MS) is a powerful tool but because of big differences of pollutants in polarity, ionization efficiency, and low concentrations, it is challenging to detect all pollutants in a single analysis. Chemical derivatization is a widely adapted strategy to fractionate complex samples with enhanced sensitivity and selectivity. Herein, we propose the usage of dansylation as a chemical derivatization method to improve both LC retention and MS ionization of organic pollutants containing amine, hydroxyl, and carboxyl for non-targeted LC–MS analysis. We first evaluated the labeling coverage of dansylation to organic pollutants in water matrix. Using dansyl chloride (DnsCl) and dansyl hydrazine (DnsHz) to label 100 amine- and hydroxyl-containing compounds and 100 carboxyl compounds, respectively, we found DnsCl and DnsHz had over 60% labeling coverage for 8 categories of compounds. Then dansylation was applied to label the rainwater, source water, disinfected rainwater, and drinking water samples. To facilitate the annotation of dansylated compounds, we also established a web-based tool termed DansylFinder. Using DansylFinder, 3889, 5813, 6077, and 4050 tentative annotations were found in rainwater, source water, disinfected rainwater, and drinking water samples by dansylation-based non-targeted LC-HRMS analysis. Four hundred fifty four were persistently detected in all water samples, suggesting significant organic overlaps of the four water samples. In addition, two degradation pathways reported in drinking water disinfection process were also detected in disinfected rainwater, suggesting rainwater is a potential path for air pollutants to infiltrate drinking water system.

Sonoelectrochemical degradation of aspirin in aquatic medium using ozone and peroxymonosulfate activated with FeS2 nanoparticles

The catalytic performance of nano-FeS2 in the sonoelectrochemical activation of peroxymonosulfate (PMS) and ozone to remove aspirin (ASP) was studied for the first time. The crystal structure and Fe bonds in the catalyst were confirmed through XRD and FTIR analysis. Within 30 min, ASP (TOC) was removed by 99.2 % (81.6 %) and 98.6 % (77.4 %) in nano-FeS2/PMS and nano-FeS2/O3 sonoelectrochemical systems, respectively. Water anions, especiallyHCO3− (almost 50 %), had an inhibitory effect on ASP removal. The probes confirmed that SO4•−and HO• were the key to ASP degradation in nano-FeS2/PMS and nano-FeS2/O3 systems, respectively. The effective activation of oxidants due to the ideal distribution of Fe2+ by catalyst was the main mechanism of ASP removal, in which electric current (EC) and ultrasound (US) played a crucial role through the recycling of Fe ions, dissolution and cleaning of the catalyst. LC-MS analysis identified thirteen byproducts in the ASP degradation pathways. The energy consumption of the proposed sonoelectrochemical systems was lower than previous similar systems. This study presented economic and sustainable hybrid systems for pharmaceutical wastewater remediation.

Phytochemical screening, antioxidant, antibacterial, and antifungal properties of the Cymbopogon citratus methanolic extract

In this work, the aerial parts of Cymbopogon citratus, harvested in Algeria, were analyzed as potential sources of biologically active compounds. The phytochemical composition, the content of total phenols and flavonoids in the methanolic extract of this plant, as well as its antioxidant, antibacterial, and antifungal capacities, were evaluated. The methanolic extract had phenolic compounds and flavonoids, with levels of 92.82 µg GAE/mg Dry weight and 58.98 µg QE/mg Dry weight, respectively. Furthermore, the methanolic extract exhibited moderate antioxidant activity as assessed by DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′azinobis (3-ethylbenzothiozoline-6-sulfonic acid) disodium salt radical), and β-carotene tests, while its antimicrobial activity was tested against four bacterial strains. Thus, a MBC/MIC ratio of 2 indicates that the extract exhibits bactericidal activity against Escherichia coli. Additionally, the extract exhibited antifungal activity against Thielaviopsis paradoxa, Alternaria sp., and Fusarium solani, with inhibition rates ranging from 50.59 % to 70.20 %. LC-MS analysis identified a variety of components, including chlorogenic acid (17.40 %), catechin (34.64 %), salicin (9.55 %), and curcumin (8.97 %), which are likely responsible for the observed activities. This study demonstrated that the aerial parts of Cymbopogon citratus offer a cost-effective source of natural compounds with bactericidal and antifungal activity, offering potential applications in the food and pharmaceutical industries.

Airways Relaxant and Antiasthmatic Activity of Aconitum heterophyllum Wall ex Royle. Roots: A Mechanistic Insight.

Aconitum heterophyllum Wall ex Royle. (Ranunculaceae) is a traditional medicinal herb that has shown extensive pharmacological potential to treat cough, diarrhea, and infectious diseases but no scientific evidence is available to validate its antiasthmatic potential. In this study, we have investigated the tracheal relaxation and antiasthmatic activity of the selected bioactive fraction of A. heterophyllum. Chemical profiling of the most effective fraction obtained via bioassay-guided fractionation was done using LC-MS (Liquid chromatography-mass spectrometry, a technique utilized in the identification, separation, and quantification of known and unknown compounds). Molecular docking analysis of characterized constituents was performed to recognize the binding receptors, followed by an evaluation of the tracheal relaxation ability of active fraction. An acute oral toxicity study of the most effective fraction was done using OECD guidelines 423. Further, the therapeutic efficacy of the fraction was validated in asthma using a guinea pig model of ovalbumin (OVA) induced allergic asthma. The bio-guided activity revealed that hydro-methanolic extract of A. heterophyllum roots (F-1) was the most active fraction. LC-MS analysis of F-1 showed the presence of six major bioactive compounds in F-1. Molecular docking studies revealed strong binding affinities of identified constituents with histaminic receptor (H1) and muscarinic receptor (M3). The ex vivo study demonstrated smooth muscle relaxant activity of F-1 via dysregulating diverse signal transduction pathways viz. histaminic and muscarinic receptors antagonism (non-competitive), stimulation of β2-adrenergic receptor pathway, and soluble guanylyl cyclase activation. The findings of acute oral toxicity studies revealed that F-1 had no toxicity up to the dose of 2000 mg/Kg. The anti-asthmatic therapeutic efficacy of F-1 was further confirmed by the amelioration of respiratory hyperresponsiveness in asthmatic guinea pigs. This is the first evidence-based study showing the antiasthmatic therapeutic potential of the traditionally used herb A. heterophyllum through, computational and animal studies.

Formulation and evaluation of phytosomes containing bioactive from Carica papaya seeds

Background: Papaya seeds are a rich source of proteins, fat, fibers, vitamins, minerals, monounsaturated fatty acids, polyphenols, and powerful antioxidants like flavonoids. Low solubility limits the absorption and bioavailability of herbal constituents. Hence, phytosomes of Papaya seed extract were formulated to enhance its solubility and bioavailability. Methodology: Papaya seeds were extracted using ethanol as solvent, and all the phytoconstituents present in the extract were assessed during the phytochemical screening and LC-MS analysis. In-vitro antidiabetic activity pure extract was determined by alpha-amylase and alpha-glucosidase enzyme inhibitory assay. The phytosomes of extract were formulated using the lipid thin film formation method and Soya lecithin and Cholesterol as lipids. The formulated phytosomes were analyzed for parameters such as particle size, zeta potential, encapsulation efficiency, percent drug content, and In-vitro dissolution study. The chemical nature of the formulation was studied using FTIR analysis and powder X-ray diffractometry. Thermal stability of phytosomes analyzed with the help of Differential Scanning calorimetry. Results: LC-MS identified 16 phytoconstituents. In-vitro antidiabetic activity showed 59.97% and 51.17% inhibition of enzymes alpha-amylase and alpha-glucosidase, respectively. The encapsulation efficiency of the optimized formulation was 88.41±0.91% with a particle size of 188.0±53.7nm. TEM images of formulation confirm the formation of phytosomes. FTIR, DSC, and Powder X-ray diffractometry showed no unwanted peaks. The in vitro dissolution study showed 89.26±1.05% CDR of phytosome, while the extract showed 47.78±0.59% CDR. Conclusion: Evaluation results of phytosomes suggest that this formulation can be used as an effective herbal antidiabetic formulation

QUALITATIVE ANALYSIS OF MAHISHADRAVAKA WITH SPECIAL REFERENCE TO LCMS STUDY

Introduction: Mahishadravaka, a renowned Ayurvedic proprietary medicine, has been historically used for its therapeutic properties. It is the arka preparation (distillation process) of Mahisha bone (bone of a buffalo), along with other herbal medicines. It is traditionally used for Vata vyadhies (diseases caused by Vata). Materials and Method: In this study, we conducted a comprehensive LCMS analysis and vitamin D3 and Calcium analyses of Mahishadravaka. Identification and characterisation of bioactive compounds were also aimed at. Result: Our findings reveal a diverse array of compounds with promising pharmacological activities, including Anti-inflammatory, antioxidant, anti-microbial, and anticancer properties. This article provides an overview of the identified compounds and their reported medicinal benefits, shedding light on the potential mechanisms underlying the therapeutic efficacy of Mahishadravaka. Conclusion: The LCMS of Mahishadravaka unveiled a rich array of bioactive compounds with significant pharmacological potential. The elucidation of the bioactive constituents paves the way for further research and development of novel therapeutic formulations based on Ayurvedic principles. These compounds encompass a broad spectrum of therapeutic activities, validating the traditional use of Mahishadravaka in Ayurvedic medicine. The findings from this study provide a scientific basis for the therapeutic efficacy of Mahishadravaka and underscore its potential for developing novel therapeutic interventions targeting various diseases.

Green chemistry approach to corrosion prevention: Saccocalyx satureioides as an effective inhibitor for C45 steel in acidic medium (HCl)

Carbon steel's corrosion in harsh, acidic environments presents significant challenges to industrial use. While traditional inhibitors are effective, they often raise environmental and sustainability concerns. This study explores the potential of Saccocalyx satureioides extract (S. Satureioides) as an environmentally Eco-friendly corrosion inhibitor for protecting carbon steel 45 in a highly corrosive 0.5 M HCl solution. The organic components of the sample were identified using phytochemical screening, LC-MS analysis, and ATR-FTIR spectroscopy. The main compounds detected were coumaric acid (68.10%), 4-methoxybenzoic acid (15.15%), and kaempferol (11.36%). Weight loss measurements demonstrated that the S. Satureioides extract had a highly effective anti-corrosion capability, achieving an inhibitory efficiency of around 96.93% at a concentration of 3 g.L-1 at a temperature of 25°C after 360 hours of immersion. This significantly reduced the corrosion rate from 0.1721 mg.cm−2.h−1 to 0.0053 mg.cm−2.h−1. The adsorption isotherms indicated that the adsorption of S. Satureioides molecules onto the steel surface followed the Langmuir model, exhibiting a high correlation coefficient of 0.9958. The negative value of the adsorption free energy ( = -17.162 kJ mol-1) indicates that the physisorption interactions occurred spontaneously. The SEM/EDX analysis revealed that the steel surface exhibited reduced damage due to the inhibitor's protective coating formation. This research not only significantly contributes to corrosion science filed but also provides crucial support for global efforts to promote sustainable industrial practices, with potential applications in various industries worldwide.

Phytochemical composition, simulated digestive bioaccessibility and cytotoxicity of Ficus auriculata Lour. fruits: In vitro and in silico insights

Ficus auriculata Lour. (Moraceae) is an underutilized wild edible fruit widely consumed for its nutritional properties. The present study aimed to determine the phytochemical composition and in vitro antioxidant, enzyme inhibitory, anti-inflammatory and anti-cancerous properties of the F. auriculata fruit extracts through in vitro digestion (oral, gastric and intestinal phases). The extracts were obtained by hot extraction and cold maceration methods using aqueous and methanolic solvents. Major phytoconstituents identified through LC-MS was subjected to molecular docking against the target proteins. The elemental analysis shows the presence of major elements; high levels of total phenolic compounds (124.61 ± 0.82 mg gallic acid equivalent/g), flavonoids (76.38 ± 0.82 mg quercetin equivalent/g), vitamin E (32.48 ± 0.09 mg alpha-tocopherol equivalent/g), and carbohydrate (34.59 ± 0.45 mg glucose equivalent/g) in hot extracted methanolic undigested extract (HEM UD) and high level of total protein (124.71 ± 0.34 mg bovine serum albumin equivalent/g) in cold extracted methanolic undigested fruit extract were found. HEM UD showed high antioxidant activity in 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid), 2,2-diphenyl-1-picryl-hydrazyl, and superoxide radical scavenging assays with IC50 of 53.30 ± 0.57, 80.69 ± 0.12, and 65.47 ± 1.13 μg/mL, respectively. The HEM UD extract also potentially inhibited the enzyme activity of α-amylase, α-glucosidase, tyrosinase, and protein denaturation (IC50 of 67.76 ± 1.22, 83.18 ± 1.23, 87.24 ± 1.15, and 65.76 ± 0.60 μg/mL). The most potent extract (HEM UD) was studied for its anticancer effects by MTT assay against the MCF-7 and HeLa cell lines with the IC50 of 89.80 ± 0.56 and 60.76 ± 0.04 μg/mL, respectively. The LC-MS analysis elucidated ten phytoconstituents. Based on the molecular docking study, querciturone could potentially be an effective constituent in treating diabetes and inflammation-related issues. The findings indicated the ability of F. auriculata fruits as a promising functional food.

Target-specific affinity separation of the bioactive compounds from herbal extract using the spin column packed with the immobilized protein microspheres prior to LC-MS analysis

Excellent pretreatments before instrumental analysis are critical for separation and determination of target compounds for discovery of new drugs from herb medicines. We developed a rapid and highly-selective method to separate the bioactive compounds from herbal extract using protein affinity-selection spin column, which was packed with the new sorbent materials from integrating the recombinant β2-adrenoceptor (β2-AR) directly out of cell lysates onto the surface of microspheres. Protein affinity-selection spin column was placed in a centrifugal tube, where after the non-specific binders were released to the filtrate under the operational centrifugation, the specific binders on the spin column were cleaned with a washing solvent for LC-MS analysis. The known agonists of β2-AR were retained/released on protein affinity-selection spin column but not on control column, demonstrating the method with good recovery (79.4∼95.7 %) and high repeatability (RSD < 3.5 %). The adsorption features of three ligands on the spin column were described best by Prism saturation binding model, and the high-affinity binding and the large binding capacity of the spin column make it feasible to trap the trace analytes effectively. It was applied in separating bioactive compounds from Alstoniae Scholaris extract, two of which were identified as picrinine and oleanolic acid in combination with LC-MS and verified as the potential agonists towards β2-AR though molecular docking and cell experiments. Our study demonstrated that, the spin column with the immobilized protein sorbents in the centrifugal filter device represents a promising tool, enabling rapid and target-specific affinity separation of the bioactive compounds from herbal extract.

Effects of green extraction methods on the chemical profile of Schisandra chinensis fruit extracts and on their tyrosinase inhibitory activity

The fruits of Schisandra chinensis (Turcz.) Baill. are a well-known food with health benefits for the central nervous system. This study was aimed at comparing green extracts of the fruits to select an environmentally friendly process providing a product rich in bioactives.S. chinensis fruits were extracted by decoction, macerations, ultrasound-assisted (UAE), and dynamic solid-liquid (SLDE) extraction using EtOH/H2O mixtures. The extract's chemical profiles were established by an integrated LC-MS and NMR approach. The LC-MS analysis revealed the presence of 70 metabolites, some of which never reported before in S. chinensis fruits, and the NMR analysis highlighted the occurrence of both primary and specialized metabolites. LC-MS and NMR data were processed by multivariate statistical analysis to highlight differences in the extraction methods. The extracts obtained with 100% EtOH by UAE and SLDE resulted the richest ones in lignans. Furthermore, the tyrosinase inhibitory activity of the extracts was tested (IC50 range 122.6–181.4 μg/ml). The extracts obtained with 100% EtOH showed the highest tyrosinase inhibitory activity, suggesting how the activity could be ascribed both to lignans, reported as responsible for the biological properties of S. chinensis and compounds as coumaric acid, 3,4,5-trimethoxycinnamic acid, gallic acid, known as tyrosinase inhibitors.

Chemical profiling of paper recycling grades using GC-MS and LC-MS: An exploration of contaminants and their possible sources

Paper packaging made with recycled paperboard is used to pack various consumer goods that can include amongst others, electronics, toys, food, cosmetics, and stationery. Chemical profiling of the various paper recycling grades used in the manufacture of recycled paperboard was undertaken to investigate possible sources of contaminants and their propagation in the paper recycling chain. Pre-consumer, retail and post-consumer paper-based materials were collected at papermills, corrugators, grocery stores, household waste, solid waste disposal sites and recycling facilities. In the GC-MS analysis, phthalates, long-chain aliphatic compounds, and fatty acids were the most commonly detected compounds whilst phthalates and bisphenols featured most prevalently in the LC-MS analysis. The factors that were identified as likely contributors to the detection of the different chemical compounds included the presence of wood derivatives, the use of certain chemical additives during manufacturing, and exposure of paper to contaminants from consumers, other goods and the environment. Waste mingling, recovery, sorting and reprocessing into recycled paper were also shown to influence the chemical profile of paper materials. Sparse partial least squares-discriminate analysis indicated that newspaper and office paper had unique chemical constituents, whilst cartons were shown to have higher variability. By looking at key stages of paper recycling, this study showed that the possible persistence and transformation of chemical compounds in additives must be evaluated when considering the recyclability of paper-based materials. Further, it highlighted that different separation approaches may be required to reduce contaminant exposure opportunities in post-consumer paper materials.

Investigating the Therapeutic Property of Galium verum L. (GV) for MSG induced Audiogenic Epilepsy (AEs) and Neuroprotection through In-Silico and In-Vitro Analysis.

Audiogenic Epilepsy (AEs) is a subtype of epileptic seizure that is generally caused by high-intensity sounds. A large number of traditional medicines has been explored in this lieu where our study chased Galium verum L. (Rubiaceae), an herbal plant which is commonly known as Lady's Bedstraw, that contains a highly rich chemical composition including flavonoids (Hispidulin, Quercetin, and Kaempferol), and phenolic acids (chlorogenic acid, caftaric acid, and gallic acid). G verum is well known for its antioxidant, neuroprotective, and anti-inflammatory properties. Recently, the unique role of Adhesion G Protein- Coupled Receptor V1 (ADGRV1) protein in the progression of audiogenic epilepsy has been explored. This study aimed to examine the potent phytoconstituents of the hydroalcoholic extract of G. verum L. (HEGV) using analytical techniques. Additionally, our study sought to evaluate the antioxidant, neuroprotective, anti-inflammatory properties, and antiepileptic potency of HEGV by targeting ADGRV1 via in silico and in vitro analyses using SHSY5Y cells. HPLC and LC-MS techniques were employed to identify the flavonoids, iridoids, and phenolic acid derivatives present in HEGV. DPPH (2,2-diphenyl-1-picrylhydrazyl), nitric oxide (NO), and hydroxyl (OH) radical scavenging assays were performed to confirm the antioxidant potential of the extract. Additionally, in silico molecular docking and molecular dynamic studies were performed using AutoDock Vina software to analyze the possible interactions between crucial phytoconstituents of HEGV and ADGRV1, followed by cell line analysis. In the in vitro analysis, antioxidant, neuroprotective, and anti-inflammatory properties were assessed via cell viability assay, IL, GABA, and glutamate estimation. LC-MS and HPLC analyses revealed high concentrations of hispidulin, a major flavonoid found in HEGV. HEGV exhibited moderate-to-high free radical-scavenging activities comparable to those of ascorbic acid. Docking analysis demonstrated that hispidulin has a stronger binding affinity with ADGRV1 (Vina score = -8.6 kcal/mol) than other compounds. Furthermore, cell line analysis revealed that the MSG exacerbates the neurodegeneration and neuroinflammation, whereas, HEGV and Hispidulin both possess neuroprotective, antioxidant, and antiepileptic activities. HEGV and Hispidulin proved to be promising candidates for treating audiogenic epilepsy by modulating ADGRV1.

A practical green methodology for metal extraction from electric arc furnace dust through Yarrowia lipolytica biolixiviant

The study addresses the management of electric arc furnace dust (EAFD) generated by steel manufacturers and the challenge of metal leaching from this waste. Recognizing the scarcity of rare earth elements (REEs) and the industrial importance of manganese, the study emphasizes the urgent need for their recovery from waste. The current study presents a green approach using a biolixiviant from Yarrowia lipolytica IBRC-M30168, with crude sunflower oil as a hydrophobic carbon source with buffering properties. LC-MS analysis reveals significant citric, malic, and succinic acids production, with the highest concentrations reaching 53.3, 17.4, and 1.0 g/l. Bioleaching experiments show biolixiviants with an initial pH of 7 and 80 g/l carbon source and 5.5 and 100 g/l outperform others, resulting in 92.4 %, 23.2 %, 19.6 %, and 84.8 %, 24.2 %, and 20.6 % of manganese, dysprosium, and erbium within 9 days, with a pulp density of 10 g/l at 60 °C and 140 rpm. The study also explores the potential for industrial adaptation, testing a higher pulp density of 50 g/l, which resulted in leaching of 65.7 %, 10.7 %, and 7.3 % for manganese, dysprosium, and erbium after 6 days. Ultimately, the study concludes that structural analyses of the residues provide added evidence for the bioleaching process’s effectiveness.

Enhanced photocatalytic degradation of organic dyes by La3+ doped SrBi4Ti4O15

The rampant misuse of organic dyes has exacerbated environmental pollution to an alarming degree. SrBi4Ti4O15, a layered perovskite semiconductor material, demonstrates considerable potential in the degradation of organic dyes, and efforts have been made to enhance its photocatalytic efficiency. In this study, La3+ doping was utilized to synthesize SrBi4-xLaxTi4O15 (x = 0, 0.10, 0.15, 0.25, 0.40) nanosheet photocatalysts, and their photocatalytic performance and underlying mechanisms were comprehensively investigated. XRD and Raman spectroscopy revealed that La3+ doping replaced Bi3+ at the A-site, resulting in a reduction of the interlayer spacing of [TiO6] octahedra. Combined with DFT calculations, La3+ doping was found to widen the band gap of SrBi4Ti4O15 and raise the Fermi level. Additionally, La3+ doping significantly increased the ratio of the Ti 3d component at the bottom of the conduction band, favoring the migration of photogenerated electrons along the [TiO6] octahedra and accelerating the separation of photogenerated carriers. SEM and BET analyses revealed that La3+ doping not only increased the size of the nanosheets but also significantly enhanced their specific surface area, thereby exposing more active sites. Degradation experiments of Rhodamine B (Rh B) under UV light demonstrated that the photocatalytic efficiency of SrBi3.75La0.25Ti4O15 (k = 0.0514 min-1) was 2.66 times higher than that of the original SrBi4Ti4O15 (k = 0.0193 min-1). The theoretical degradation pathway of Rh B was elucidated using LC-MS analysis and the developmental toxicity of potential intermediates was analyzed. Moreover, the SrBi3.75La0.25Ti4O15 photocatalyst also exhibited excellent degradation efficacy against Methylene Blue (MB), Crystal Violet (CV), and Methyl Orange (MO). This study provides both theoretical and experimental insights into improving the photocatalytic performance of SrBi4Ti4O15, thereby enhancing its potential for industrial application.