MS Profiling Research Articles

Multivariate Chemometric Comparison of Forced Degradation and Electrochemical Oxidation LC-MS Profiles of Maraviroc.

In this study, nine forced degradation products of maraviroc were found using chemometric analysis. This antiretroviral drug was subjected to photolytic, oxidative, as well as neutral, basic and acidic hydrolysis stress conditions. Additionally, its electrochemical transformation on platinum, gold and glassy carbon screen-printed electrodes was examined. This study showed that maraviroc is especially susceptible to UVA, H2O2 and electrochemical degradation, while being resistant to neutral and acidic hydrolysis. A cluster analysis showed that the electrochemical transformation, with particular reference to the platinum electrode, is able to partially simulate the forced degradation processes, especially in the context of redox reactions. These findings indicate that the electrochemical methods can be considered as quick and relatively low-cost supplements to the commonly applied forced degradation procedures.

Network Degradation Assessed by Evolved Gas Analysis–Mass Spectrometry Combined with Principal Component Analysis (EGA–MS–PCA): A Case of Thermo-Oxidized Epoxy/Amine Network

To study the degradation of thermosetting polymers, we apply a novel method to simultaneously study the chemical structural changes and network topology: evolved gas analysis–mass spectrometry combined with principal component analysis (EGA–MS–PCA). This technique was applied to thermo-oxidative aging of an epoxy/amine network. The signals of various pyrolyzates remain overlapped in the complicated EGA–MS profiles. The key fragments of thermally evolved gases derived from the components of the network are effectively selected by PCA from the complicated EGA–MS profiles. EGA–MS–PCA provides information on the network structure: (i) the oxidized fraction of cross-links (i.e., chemically damaged cross-links), (ii) the relative quantification of unbonded chains, and (iii) the formation of dangling chains. The proposed technique can simultaneously characterize chemical degradation and network structural properties. This characterization technique can be utilized as a generally applicable tool for determining the structural durability of thermosetting polymers.

Valorization of Peels of Eight Peach Varieties: GC-MS Profile, Free and Bound Phenolics and Corresponding Biological Activities.

Sustainability, becoming essential for food processing and technology, sets goals for the characterization of resources considered as food waste. In this work, information about the GC-MS metabolites of peach peels was provided as a tool that can shed more light on the studied biological activities. In addition, distribution patterns and contribution of the chemical profile and free and bound phenolic compounds as antioxidant, antimicrobial, and enzymatic clusters in peach peels of different varieties of Bulgarian origin were studied. The two applied techniques (alkaline and acid hydrolysis) for releasing the bound phenolics reveal that alkaline hydrolysis is a better extraction approach. Still, the results indicate the prevalence of the free phenolics in the studied peach peel varieties. Total phenolics of peach wastes were positively correlated with their antioxidant activity. The antioxidant activity results certainly defined the need of an individual interpretation for each variety, but the free phenolics fractions could be outlined with the strongest potential. The limited ability of the peels' extracts to inhibit α-amylase and acetylcholinesterase, and the moderate antimicrobial activity, on the other hand, indicate that the potential of peach peels is still sufficient to seek ways to valorize this waste. Indeed, this new information about peach peels can be used to characterize peach fruits from different countries and/or different food processes, as well as to promote the use of this fruit waste in food preparation.

Systematic study of tissue section thickness for MALDI MS profiling and imaging.

Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI MSI) has become a powerful method for studying the spatial distribution of molecules. Preparation of tissue sections is a critical step for obtaining high-quality imaging data. The thickness of the slice of tissue affects the feature quality of MALDI MSI. However, few studies involved in-depth and systematic examination of slice thickness. Herein, we investigate the effect of tissue slice thickness on MALDI MSI detection. We found that the thicker the slice, the worse the results obtained by MALDI MS, which we attributed to the charging effect. The optimal slice thickness of brain tissue obtained in this work is 2-6 μm. Comparisons of the effects of slice thickness on atmospheric pressure and vacuum MALDI assays indicated that the ion signals and imaging quality of vacuum MALDI were more seriously affected by the thickness, with atmospheric pressure (AP) MALDI having a greater tolerance for slice thickness than vacuum MALDI. The MALDI MSI of peptides after enzymatic digestion of tissue sections of different thicknesses was also studied, revealing that the most suitable tissue thickness for enzyme digestion is about 10 μm. Finally, we optimized the slice thicknesses of six tissues in mice to provide a reference for MALDI MSI studies. It is worth mentioning that in our study the values of slice thickness range from the nanometer level (400 nm) at the minimum to 150 μm at the maximum, values which were unprecedented. Detailed in-depth and systematic studies of slice thickness will promote the development of sample preparation technology of AP and vacuum MALDI MSI, which will provide important references for the selection of tissue section thickness.

Determination of label efficiency and label degree of critical reagents by LC-MS and native MS

Degree of labeling and label efficiency are key factors for optimal characterization of critical reagents that are used in ligand binding assays. Here, three case studies are shown demonstrating how liquid chromatography–mass spectrometry (LC-MS) was utilized to characterize critical reagents using three unique methodologies. Critical reagent batches were prepared for LC-MS analysis by use of: 20 mM dithiothreitol (DTT) (Case 1), rapid PNGaseF (Case 2), and a mobile phase diluent (Case 3). LC-MS was run at three different MS method conditions in each troubleshooting case specific for reduced IgG, intact IgG, and native LC-MS, respectively. Specified LC-MS methods based on sample type and configuration elucidated clear MS profiles, allowing for degree of labeling and label efficiencies to be calculated. Ultimately the LC-MS analyses were fine-tuned for critical reagent characterization, and practices for analyzing similar reagents in the future can be established.

LC-ESI-QTOF-MS/MS profiling of phenolic compounds in Australian native plums and their potential antioxidant activities

Australian native plums are rich in phenolic compounds, which have significant health-promoting effects. There are limited recordings and information on the number of species and phenolic content of Australian native plums. However, the number of species and phenolic content of Australian native plums are not well documented. This research was conducted to identify and quantify phenolic compounds in the peel, pulp, and seed of three common Australian native plums (Kakadu plum, Davidson plum, Illawarra plum) for applying and promoting the commercial worth of these fruits. Total phenolic content (TPC), total flavonoid content (TFC), and total tannins content (TTC) were used to determine the amount of phenolic compounds in these Australian native plums and in vitro experiments, including total antioxidant capacity (TAC), 2, 2′-Diphenyl-2-picrylhydrazyl (DPPH), Ferric Reducing Antioxidant Power (FRAP), and 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) were used to analyze the antioxidant activities of the samples. Phenolic compounds in the samples were thoroughly analyzed by liquid chromatography-mass spectrometry (LC-ESI-QTOF-MS/MS), and preliminarily identified as phenolic acids (10), flavonoids (23), and other phenolic substances (11). These results show the potent antioxidant properties of the Australian native plums and provide evidence for their potential use as culinary, medicinal, and nutraceutical components.

Efficacy of Qingre Huashi decoction on infection of : inhibiting adhesion, antioxidant, and anti-inflammation.

To investigate the phytochemical profile of Qingre Huashi decoction (, QHD) and evaluate the mechanisms rationalizing the use of QHD against ()-associated gastritis. QHD is composed of 11 herbs, which was prepared by a fixed Pharmacy and concentrated into clear paste. High-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (HPLC-QTOF/MS) was used to detect the phytochemical profile of QHD. The toxicity of QHD against and human gastric epithelial cells was evaluated by the toxicology test and cell counting kit-8 assay. The adhesion model was constructed by incubating and gastric mucosal epithelial cells for 2 h. The urease assay was used to examine the anti-adhesion effects of QHD, and gene expression of adhesins was evaluated by quantitative polymerase chain reaction. The antioxidant activity was assessed by DCFH-DA labeling. To evaluate the anti-inflammatory effect, the levels of pro-inflammatory cytokines in the culture supernatant were detected by enzyme-linked immunosorbent assay. HPLC-QTOF/MS profiling indicated the presence of primary compounds 1-20 in QHD. Drug concentration was determined as 1, 2, and 5 mg/mL by the toxic concentration of QHD against and human gastric epithelial cells. QHD prevented adhesion to the human gastric epithelial cells and reduced levels of reactive oxygen species. QHD also reduced the level of interleukin-8 and other pro-inflammatory cytokines that were upregulated by infection. QHD could inhibit adhesion, and exert antioxidant and anti-inflammatory effects .

Ambient ms profiling of meningiomas: intraoperative oncometabolite-based monitoring

The primary method of initial treatment of meningiomas is radical neurosurgical intervention. Various methods of intraoperative diagnostics currently in development aim to improve resection efficiency; we focus on methods based on molecular profiling using ambient ionization mass spectrometry. Such methods have been proven effective on various tumors, but the specifics of the molecular structure and the mechanical properties of meningiomas raise the question of applicability of protocols developed for other conditions for this particular task. The study aimed to compare the potential clinical use of three methods of ambient ionization in meningioma sample analysis: spray from tissue, inline cartridge extraction, and touch spherical sampler probe spray. To this end, lipid and metabolic profiles of meningioma tissues removed in the course of planned neurosurgical intervention have been analyzed. It is shown that in clinical practice, the lipid components of the molecular profile are best analyzed using the inline cartridge extraction method, distinguished by its ease of implementation and highest informational value. Analysis of oncometabolites with low molecular mass is optimally performed with the touch spherical sampler probe spray method, which scores high in both sensitivity and mass-spectrometric complex productivity.

UHPLC-DAD-ESI-HRMS/MS profile of phenolic compounds in northern red oak (Quercus rubra L., syn. Q. borealis F. Michx) seeds and its transformation during thermal processing

This paper describes for the first time a complete characterization and quantification of the phenolic compounds in raw and heat-treated northern red oak ( Quercus rubra L.) seeds using UHPLC-DAD-ESI-HRMS/MS. A total 42 phenolic compounds belonging to five different groups of compounds, including ellagitannins, gallotannins, phenolic glycosides, hydroxybenzoic acid derivatives (HBA derivatives) and ellagic acid derivatives (EA derivatives), were identified, and most of them were reported in Q. rubra seeds for the first time. Significant variability of phenolic composition existed among raw and roasted samples under different temperature and time conditions. The total content of the phenolics, ellagitannins, gallotannins and phenolic glycosides was drastically reduced by roasting, regardless of the thermal processing conditions. In turn, an increase the roasting temperature from 135° to 200°C led to an increment in the total content of HBA and EA derivatives. Among the roasted seeds, the highest total phenolics content was found in the samples thermally treated at 185 °C for 25 min, while the lowest amounts were observed in those roasted at 135 °C for 80 min. Ellagitannins were the dominant class of phenolic compounds in the raw samples, while EA derivatives were more abundant in heat-treated seeds. Interestingly, the second most abundant phenolic group in both unroasted and roasted samples were phenolic glycosides. The predominant individual phenolic compounds, in raw seeds, were cretanin, oenothein B and rugosin E isomers. Since, among the phenolics found in the raw seeds, cretanin had the highest thermal stability, while dimeric ellagitannins and high molecular weight gallotannins exhibited the least thermal stability. The roasted samples contained mainly compounds formed by further decomposition of abovementioned compounds. • A total of 42 phenolics were found in Quercus rubra L. seeds for the first time. • In raw oak seeds, the dominant phenolics were cretanin and dimeric ellagitannins. • Ellagitannins and gallotannins showed higher heat sensitivity than other phenolics. • Roasting effectively increased the content of low-molecular-weight phenolics. • The raw and roasted Q. rubra seeds are a valuable source of bioactive phenolics.

Untargeted Metabolomics Pilot Study Using UHPLC-qTOF MS Profile in Sows' Urine Reveals Metabolites of Bladder Inflammation.

Urinary tract infections (UTI) of sows (characterized by ascending infections of the urinary bladder (cyst), ureters, and renal pelvis), are major health issues with a significant economic impact to the swine industry. The current detection of UTI incidents lacks sensitivity; thus, UTIs remain largely under-diagnosed. The value of metabolomics in unraveling the mechanisms of sow UTI has not yet been established. This study aims to investigate the urine metabolome of sows for UTI biomarkers. Urine samples were collected from 58 culled sows from a farrow-to-finish herd in Greece. Urine metabolomic profiles in 31 healthy controls and in 27 inflammatory ones were evaluated. UHPLC-qTOF MS/MS was applied for the analysis with a combination of multivariate and univariate statistical analysis. Eighteen potential markers were found. The changes in several urine metabolites classes (nucleosides, indoles, isoflavones, and dipeptides), as well as amino-acids allowed for an adequate discrimination between the study groups. Identified metabolites were involved in purine metabolism; phenylalanine; tyrosine and tryptophan biosynthesis; and phenylalanine metabolism. Through ROC analysis it was shown that the 18 identified metabolite biomarkers exhibited good predictive accuracy. In summary, our study provided new information on the potential targets for predicting early and accurate diagnosis of UTI. Further, this information also sheds light on how it could be applied in live animals.

Using UHPLC-MS profiling for the discovery of new sponge-derived metabolites and anthelmintic screening of the NatureBank bromotyrosine library.

In order to further expand the NatureBank open access compound library, chemical investigations of the Australian marine sponge, Ianthella basta, were undertaken since UHPLC-MS analysis of the extract from this sponge indicated the presence of a new alkaloid. Large-scale extraction and mass-directed isolation studies on the CH2Cl2/MeOH I. basta extract resulted in the purification of a new bromotyrosine-derived alkaloid, 5-debromopurealidin H (1), along with the known marine natural product, ianthesine E (2). The chemical structure of the new compound was determined following detailed spectroscopic and spectrometric data analysis. These two compounds (1 and 2) along with seven previously reported marine bromotyrosine alkaloids from the NatureBank open access library, which included psammaplysins F (3) and H (4), bastadins 4 (5), 8 (6) and 13 (7), aerothionin (8) and hexadellin A (9), were evaluated for their nematocidal activity against exsheathed third-stage larvae of Haemonchus contortus, a highly pathogenic parasite of ruminants. Of the nine compounds, bastadin 8 (6), hexadellin A (9) and bastadin 4 (5) showed inhibition towards larval motility after 72 h of exposure with IC50 values of 1.6 µM, 10.0 µM and 33.3 µM, respectively.

Guava Leaf Essential Oil as a Potent Antioxidant and Anticancer Agent: Validated through Experimental and Computational Study.

The bioactive compounds in guava essential oil were screened using gas chromatography-mass spectrometry (GC-MS). Similarly, the antioxidant properties of the extracted oil were evaluated using 2,2-Diphenyl-1-picrylhydrazyl scavenging assay. Furthermore, the in vitro anticancer activity of guava oil was observed through the MTT assay and an in silico molecular docking experiment was also carried out to ensure that they fit into the estrogen receptors (ERs) and possess anticancer potential. The GC-MS profile of the essential oil revealed the presence of 17 chemicals, with limonene (51.3%), eucalyptol (21.3%), caryophyllene oxide (6.2%), caryophyllene (5.6%), and nerolidol (4.5%) occupying more than one-third of the chromatographic spectrum zone. Guava leaves' essential oil (EO) inhibited DPPH (2,2-diphenyl-1-picrylhydrazyl) radicals and exhibited concentration dependent free radical scavenging activity, acting as a potent antioxidant with an IC50 value of 29.3 ± 0.67 µg/mL. The outcome of the MTT assay showed that the extracted guava oil had nearly the same efficacy against breast and liver cancer cells at a low concentration (1 µg/mL), giving 98.3 ± 0.3% and 98.5 ± 0.4% cell viability against HepG2 at 1 µg/mL, respectively. When the concentration of essential oil was increased, it showed a small reduction in the percentage of viable cells. While conducting an in silico study of all the screened compounds, the potential for hydroxycaryophyllene, caryophyllene, caryophyllene oxide, humulene, terpineol, and calamenene to inhibit tumor growth was bolstered due to a resemblance to 4-hydroxytamoxifen, thereby implying that these compounds may act as selective estrogen receptor modulators (SERMs). The ADME analysis of the compounds indicated above revealed that they exhibit excellent drug likeness properties and follow the Lipinski rule of five. Consequently, they have a substantial anticancer therapeutic potential and can be used for novel drug discovery in the effort to minimize the global burden of breast cancer.

Biomolecular Profiling by MALDI-TOF Mass Spectrometry in Food and Beverage Analyses.

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has frequently been applied to the analysis of biomolecules. Its strength resides not only in compound identification but particularly in acquiring molecular profiles providing a high discriminating power. The main advantages include its speed, simplicity, versatility, minimum sample preparation needs, and a relatively high tolerance to salts. Other benefits are represented by the possibility of automation, high throughput, sensitivity, accuracy, and good reproducibility, allowing quantitative studies. This review deals with the prominent use of MALDI-TOF MS profiling in food and beverage analysis ranging from the simple detection of sample constituents to quantifications of marker compounds, quality control, and assessment of product authenticity. This review summarizes relevant discoveries that have been obtained with milk and milk products, edible oils, wine, beer, flour, meat, honey, and other alimentary products. Marker molecules are specified: proteins and peptides for milk, cheeses, flour, meat, wine and beer; triacylglycerols and phospholipids for oils; and low-molecular-weight metabolites for wine, beer and chocolate. Special attention is paid to sample preparation techniques and the combination of spectral profiling and statistical evaluation methods, which is powerful for the differentiation of samples and the sensitive detection of frauds and adulterations.

Phytochemical Analysis, GC-MS Profiling, and In Vitro Evaluation of Biological Applications of Different Solvent Extracts of Leonotis nepetifolia (L.) R.Br. Flower Buds.

Leonotis nepetifolia (L.) R.Br.is a medicinally important herb belonging to the family Lamiaceae. The plant is typically found in tropical regions, and its leaf and root extracts are renowned for their ethno-botanical and therapeutic applications. This study was designed to determine the presence of various bioactive components, and to evaluate antibacterial, antifungal, antioxidant, and anti-proliferative activities. The preliminary phytochemical screening and gas chromatography-mass spectrometry (GC-MS) analysis of different solvent extracts revealed the presence of various bioactive compounds, of which methanol extract showed 24 compounds, petroleum ether extract revealed 26 compounds, and 24 compounds in hexane extracts. The major bioactive components including λ-sitosterol (16.20%) in methanol extract, 1-nonadecanol (15.48%) in petroleum extract, and eicosane (13.22%) in hexane extract have been reported with various bio-therapeutic applications. In addition, the flower bud methanolic extract of L. nepetifolia exhibited inhibitory potential against all tested bacterial and fungal pathogens. The DPPH radical scavenging assay revealed that methanolic extract possessed the highest antioxidant activity. The scavenging activity increased in a concentration-dependent manner, as indicated by a 74% inhibition rate at 1000µg/ml. Furthermore, the in vitro cytotoxic effects of the methanolic extract on the HepG2 cell line were evaluated. The IC50 value of methanolic extract against HepG2 cells was determined to be 83.28µg/ml. The findings reveal that different solvent extracts of L. nepetifolia flower buds contain a significant amount of various bioactive phytochemicals with antioxidant and anticancer activities; and thus, the plant could serve as a potential source of pharmacological applications.

Circulating direct infusion MS and NMR metabolomic profiles of post-gonadectomy kittens with or without additional dietary choline supplementation.

Choline is beneficial for energy metabolism and growth in various species. Choline may work similarly in kittens at risk of obesity. Direct infusion MS (Di-MS) and NMR spectroscopy were used to investigate the metabolomic signatures of kittens supplemented with or without additional dietary choline for 12 weeks. Fifteen intact male kittens consumed a base diet (3310 mg choline/kg DM) to their daily metabolisable energy requirement (DER) over an 11-week acclimation. Kittens were gonadectomised and assigned, based on body weight, to the base diet (CONTROL, n 7) or the base diet with 300 mg/kgBW0·75 additional choline as choline chloride (CHOLINE, n 8) and offered three times their individual energy requirement divided into three meals. At weeks -1 and 12, fasted blood was sampled and serum analysed for 130 metabolites via Di-MS and fifty-one metabolites via NMR spectroscopy. Changes in fasted metabolites were assessed using a repeated-measures GLIMMIX procedure with time and group as fixed effects, and time as a repeated measure. Metabolites of one-carbon metabolism and lipids increased, and medium-chain acyl carnitines decreased from week -1 to 12 for CHOLINE (P < 0·05), but not CONTROL (P > 0·05). Increases in amino acid, biogenic amine and organic compound concentrations were observed in both groups (P < 0·05). The results suggest impacts of dietary choline at greater intakes than currently recommended on one-carbon metabolism and fatty acid oxidation, and these may promote healthy growth in post-gonadectomy kittens.

Mycolicibacterium aurantiacum sp. nov. and Mycolicibacterium xanthum sp. nov., two novel actinobacteria isolated from mangrove sediments.

Two novel actinobacteria with the ability to degrade kerosene, designated as B3033T and Y57T, were isolated from mangrove sediments in Tieshan Harbour, South China Sea. Both strains are Gram-staining-positive, non-spore forming, slow-growing, oxidase-positive, non-motile and aerobic. Their major cellular fatty acids were C16 : 0 and C18 : 1ω9c. Analysis of 16S rRNA gene sequences revealed the close relationship of strain B3033T to Mycobacterium kyogaense DSM 107316T (99.4 % nucleotide identity) and strain Y57T to Mycolicibacterium chubuense ATCC 27278T (98.7 %) and Mycolicibacterium rufum JS14T (98.7 %). Whole genome average nucleotide blast identity (ANI) and the digital DNA-DNA hybridization (dDDH) values between the two isolates and the type strains of species of the genus Mycolicibacterium were lower than 94 and 45 %, respectively, which were below the threshold values of 95 % (for ANI) and 70 % (for dDDH) recommended for bacterial species differentiation. The genome sequence of B3033T comprised a circular 11.0 Mb chromosome with a DNA G+C content of 68.1 mol%. Y57T had a genome size of 5.6 Mb and a DNA G+C content of 68.7 mol%. Genes involved in degradation of aromatic compounds and copper resistance were identified in the genomes of both strains that could improve their adaptive capacity to the mangrove environment. These results combined with those of chemotaxonomic analyses, MALDI-TOF MS profiles and phenotypic analyses support the affiliation of these strains to two novel species within the genus Mycolicibacterium, for which we propose the names Mycolicibacterium aurantiacum sp. nov. B3033T (=KCTC 49712T=MCCC 1K04526T) and Mycolicibacterium xanthum sp. nov. Y57T (=KCTC 49711T=MCCC 1K04875T) as type strains.

Oriental Strawberry Metabolites: LC–MS Profiling, Antioxidant Potential, and Postharvest Changes of Fragaria orientalis Fruits

Fragaria orientalis is the most distributed wild strawberry in the North Asia, and it is consumed in large quantities by the local population. However, poor knowledge of the chemical composition, metabolic profiles, and bioactivity leads to the insufficient use of F. orientalis beyond the region. The aim of our study was to investigate the nutritional value, chemical composition, and sensory parameters of wild and cultivated F. orientalis fruits, before and during postharvest storage. Sixty-five compounds were identified by liquid chromatography–mass spectrometry (LC–MS). Wild and cultivated fruits have the same LC–MS profiles, but quantitative levels varied, in favor of the wild samples. The extracts of F. orientalis fruit demonstrated high radical-scavenging potential, and ascorbic acid and various phenolics were identified as principal antioxidants. Significant variation in ascorbic acid, phenolic content, and total antioxidant potential was found during storage of the fresh F. orientalis fruit at cold and room temperatures and in defrosted fruits; storage of the dried fruits at cold temperature showed the lowest loss of bioactive compounds. The new information on postharvest changes in the phytochemicals and bioactivities provide a better understanding of the processes occurring in fresh, frozen, and dried strawberry fruits during storage.

GC-MS Profiling of Naturally Extracted Essential Oils: Antimicrobial and Beverage Preservative Actions.

The purpose of this study was to demonstrate the antimicrobial effects of natural essential oils (EO) and determine their preservative action. Eight natural essential oils were tested against Staphylococcus aureus, Escherichia coli, and Candida albicans representing gram positive, gram negative, and fungi, respectively. The plant materials were used in this study viz. Thymus vulgaris—thyme (TV), Mentha virdis (MV), Mentha longifolia (ML), Rosmarinus officinalis—rosemary (RO), Lavandula dentata—lavender (LD), Origanum majorana—oregano (OM), which belong to the Lamiaceae family. The other two plants were Cymbopogon citratus—lemon grass (family Poaceae) (CC), and Eucalyptus globulus (family Myrtaceae) (EG). Employing the disc diffusion susceptibility test, minimum inhibitory and minimum bactericidal concentrations were estimated for each oil, followed by the addition of oils to pasteurized apple juice after microbial induction. The results revealed that thyme oil showed the maximum zone of inhibition against all tested microbes enriched with monoterpenes class viz. eucalyptol (24.3%), thymol (17.4%), and γ-terpinene (15.2%). All other tested oils exhibited a concentration-dependent inhibition of growth and their MIC ranged from 0.1 to 100 µL/mL. The recorded minimum bactericidal concentration values were apparently double the minimum inhibitory concentration. The EO of Mentha virdis followed by Mentha longifolia showed maximum antimicrobial activity against the tested organisms in pasteurized apple juice. A gas chromatography–mass spectroscopy (GC–MS) analysis of lemon grass, thyme, and Mentha virdis essential oils showed their enrichment with monoterpenes class recording 97.10, 97.04, and 97.61%, respectively.

Front Cover: Real‐time traceability of sorghum origin by soldering iron‐based rapid evaporative ionization mass spectrometry and chemometrics

DOI: 10.1002/elps.202200043 The cover picture shows the real-time traceability analysis of sorghum by soldering iron-based rapid evaporative ionization mass spectrometry (SI-REIMS) and foodomics analysis. The direct analysis of samples with low conductivity by MS is a major challenge. In this work, sorghum powder samples were directly analyzed by soldering iron burning and MS profiling data was acquired. Foodomics methods such as PCA and OPLS-DA were used to establish a recognition model and to select markers with strong discrimination power. The results indicate that the SI-REIMS combined with foodomics is a useful tool for real-time traceability analysis of poor conductivity samples.

Effects of Botanicals on Growth and Phytochemistry of the Nematode-Infected Pelargonium sidoides and GC–MS Profiling of Cucurbita maxima Seeds

Effects of Botanicals on Growth and Phytochemistry of the Nematode-Infected Pelargonium sidoides and GC–MS Profiling of Cucurbita maxima Seeds