Fourteen sediment samples were collected along Linggi River, Malaysia. Neutron activation analysis (NAA) and inductively coupled plasma-mass spectrometry (ICP-MS) techniques were used in the determination of toxic element contents. The results showed that As, Cd and Sb concentrations were higher at all sampling stations, with enrichment factor values ranging from 17.7 to 75.0, 2.1 to 19.5 and 6.6 to 28.4, respectively. Elements of Pb and Zn) were also enriched at most of the sampling stations whilst Cu, Cr and Ni were shown as background levels. The sediment of Linggi River can be categorised as low (<8.0) to very high degree of contamination (>32.0). The mean concentrations of elements viz. Cd, Cr, Ni, Pb, Sb and Zn were lower than the threshold effect level (TEL) of FSQGs values except for As. The concentration of As (arsenic) was higher than PEL and PEC of FSQGs values.
This paper contains data from the elemental and phytochemical profiling of black pepper oleoresin extracts using the LC-MS QToF and ICP-MS analysis. In recent years studies have shown the medicinal properties of extracts from these two cultivars of Piper nigrum. The medicinal properties are attributed to the presence of many secondary metabolites and mineral element in them. The phytochemical profiling was conducted using a Liquid Chromatography equipped with an electrospray time-of-flight mass spectrometer detectors. The mass spectrometer was equipped with an electrospray ionization sources operated in positive ion mode. The alkaloid compounds in the optimized black pepper extract were tentatively characterized in accordance with their ions׳ mass fragmentation.
In the present study, a sensitive and fully validated liquid chromatography with mass spectrometry method was developed for the quantification of three potential genotoxic impurities in rabeprazole drug substance. The separation was achieved on Symmetry C18 column (100 × 4.6 mm, 3.5 μm) using 0.1% formic acid in water as mobile phase A and acetonitrile as mobile phase B in gradient elution mode at 0.5 mL/min flow rate. Triple quadrupole mass detection with electrospray ionization was operated in selected ion recording mode for the quantification of impurities. The calibration curves were demonstrated good linearity over the concentration range of 1.0-4.5 ppm for O-phenylenediamine, 1.8-4.5 ppm for 4-nitrolutidine-N-oxide and 1.0-4.5 ppm for benzyltriethylammonium chloride with respect to 10 mg/mL of rabeprazole. The correlation coefficient obtained in each case was >0.998. The recoveries were found satisfactory over the range between 94.22 and 106.84% for all selected impurities. The method validation was carried out following International Conference on Harmonization guidelines, from which the developed method was able to quantitate the impurities at 1.0 ppm for O-phenylenediamine, 1.8 ppm for 4-nitrolutidine-N-oxide and 1.0 ppm for benzyltriethylammonium chloride. Furthermore, the proposed method was successfully evaluated for the determination of selected impurities from bulk drug and formulation samples of rabeprazole within the acceptable limits.
Garcinia mangostana L. (mangosteen) seed is recalcitrant, prone to low temperature and drying which limit its long-term storage. Therefore, it is imperative to understand the metabolic changes throughout its development, to shed some light into the recalcitrant nature of this seed. We performed metabolomics analysis on mangosteen seed at different stages of development; six, eight, ten, twelve and fourteen weeks after anthesis. Seed samples were subjected to methanol extraction prior analysis using liquid chromatography - mass spectrometry (LC-MS). The MS data acquired were analyzed using ProfileAnalysis (version 2.1). This data article refers to the article entitled "Metabolomics analysis of developing Garcinia mangostana seed reveals modulated levels of sugars, organic acids and phenylpropanoid compounds" (Mazlan et al., 2018) [1].
Protein glycosylation, particularly N-linked glycosylation, is a complex posttranslational modification (PTM), which plays an important role in protein folding and conformation, regulating protein stability and activity, cell-cell interaction, and cell signaling pathways. This review focuses on analytical techniques, primarily MS-based techniques, to qualitatively and quantitatively assess N-glycosylation while successfully characterizing compositional, structural, and linkage features with high specificity and sensitivity. The analytical techniques explored in this review include LC-ESI-MS/MS and MALDI time-of-flight MS (MALDI-TOF-MS), which have been used to analyze clinical samples, such as serum, plasma, ascites, and tissue. Targeting the aberrant N-glycosylation patterns observed in MALDI-MS imaging (MSI) offers a platform to visualize N-glycans in tissue-specific regions. The studies on the intra-patient (i.e., a comparison of tissue-specific regions from the same patient) and inter-patient (i.e., a comparison of tissue-specific regions between different patients) variation of early- and late-stage ovarian cancer (OC) patients identify specific N-glycan differences that improve understanding of the tumor microenvironment and potentially improve therapeutic strategies for the clinic.
Proteomics is the study of proteins, the workhorses of cells. Proteins can be subjected to various post-translational modifications, making them dynamic to external perturbation. Proteomics can be divided into four areas: sequence, structural, functional and interaction and expression proteomics. These different areas used different instrumentations and have different focuses. For example, sequence and structural proteomics mainly focus on elucidating a particular protein sequence and structure, respectively. Meanwhile, functional and interaction proteomics concentrate on protein function and interaction partners, whereas expression proteomics allows the cataloguing of total proteins in any given samples, hence providing a holistic overview of various proteins in a cell. The application of expression proteomics in cancer and crop research is detailed in this chapter. The general workflow of expression proteomics consisting the use of mass spectrometry instrumentation has also been described, and some examples of proteomics studies are also presented.
The developments in mass spectrometry (MS) in the past few decades reveal the power and versatility of this technology. MS methods are utilized in routine analyses as well as research activities involving a broad range of analytes (elements and molecules) and countless matrices. However, manual MS analysis is gradually becoming a thing of the past. In this article, the available MS automation strategies are critically evaluated. Automation of analytical workflows culminating with MS detection encompasses involvement of automated operations in any of the steps related to sample handling/treatment before MS detection, sample introduction, MS data acquisition, and MS data processing. Automated MS workflows help to overcome the intrinsic limitations of MS methodology regarding reproducibility, throughput, and the expertise required to operate MS instruments. Such workflows often comprise automated off-line and on-line steps such as sampling, extraction, derivatization, and separation. The most common instrumental tools include autosamplers, multi-axis robots, flow injection systems, and lab-on-a-chip. Prototyping customized automated MS systems is a way to introduce non-standard automated features to MS workflows. The review highlights the enabling role of automated MS procedures in various sectors of academic research and industry. Examples include applications of automated MS workflows in bioscience, environmental studies, and exploration of the outer space.
Recently, unconventional methods especially microwave-assisted hydrodistillation extraction (MAHE) is being used as an alternative technique for extracting bioactive compounds from plant materials due to its advantages over conventional methods such as Soxhlet extraction (SE). In this study, bioactive compounds were extracted from Vernonia cinerea leaf using both MAHE and SE methods. In addition, the kinetic study of MAHE and SE methods were carried out using first- and second-order kinetic models. The results obtained showed that MAHE can extract higher yield of bioactive compounds from V. cinerea leaf in a shorter time and reduced used of extracting solvent compared with SE method. Based on the results obtained, second-order kinetic models can actually describe the extraction of bioactive compounds from V. cinerea leaf through MAHE with extraction rate coefficient of 0.1172 L/gmin and extraction capacity of 1.0547 L/g as compared to SE with 0.0157 L/gmin and 1.1626 L/g of extraction rate coefficient and extraction capacity, respectively. The gas chromatography-mass spectrometry analysis of the oil showed the presence of numerous heavy fractions in the oil obtained through MAHE as compared with the SE method. Moreover, the electric consumption and environmental impacts analysis of the oil suggested that MAHE can be a suitable green technique for extracting bioactive compounds from V. cinerea leaf.
Matched MeSH terms: Gas Chromatography-Mass Spectrometry
Acinetobacter baumannii is rapidly emerging as a multidrug-resistant pathogen responsible for nosocomial infections including pneumonia, bacteremia, wound infections, urinary tract infections, and meningitis. Metabolomics provides a powerful tool to gain a system-wide snapshot of cellular biochemical networks under defined conditions and has been increasingly applied to bacterial physiology and drug discovery. Here we describe an optimized sample preparation method for untargeted metabolomics studies in A. baumannii. Our method provides a significant recovery of intracellular metabolites to demonstrate substantial differences in global metabolic profiles among A. baumannii strains.
Agarwood is the highly valuable fragrant resin of the wounded Aquilaria spp. trees widely used in fragrances, medicines and incenses. Among the Aquilaria spp., A. malaccensis is the primary producer and is mainly found in Indonesia and Malaysia. In normal condition, agarwood is naturally formed in Aquilaria trees as a defense mechanism upon physical damage or microbial infection on the trees, which is a slow process that occurs over several years. The high demand in agarwood has spurred the development of various artificial inoculation methods where agarwood formation is synthetically induced in a shorter period of time. However, the synthetic induction method produces agarwood with aromas different from the naturally formed agarwood. To understand the changes in the agarwoods produced from different induction conditions, metabolite profiling of agarwood essential oil from A. malaccensis has been performed. The essential oils of healthy undamaged tree trunks and, naturally formed and synthetically induced agarwoods were obtained using hydrodistillation (HS) method and analysed using gas chromatography mass spectrometer (GC-MS). These data will provide valuable resources for chemical components of agarwood produced by the species in the genus Aquilaria.
Matched MeSH terms: Gas Chromatography-Mass Spectrometry
The individual compounds and sources of polycyclic aromatic hydrocarbon (PAHs) were studied in the surface sediments
at 32 locations in the tourism area of Langkawi Island. A total of 15 PAHs were determined and quantified by gas
chromatography coupled with mass spectrometry (GC-MS). The total PAH concentrations of surface sediments from
Langkawi Island ranged from 228.13 to 990.25 ng/g and they were classified as being in the low to moderate pollution
range. All sampling stations were dominated by high molecular weight PAHs with 4 rings (31.59%) and 5-6 rings (42.73%).
The diagnostic ratio results showed that in most cases, the sampling stations have pyrogenic input. Further analysis
using principal component analysis (PCA) combined with absolute principal component score (APCS) and multiple linear
regression (MLR) showed that the natural gas emissions contributed to 57% of the total PAH concentration, 22% from the
incomplete combustion and pyrolysis of fuel, 15% from pyrogenic and petrogenic sources and 6% from an undefined source.
Matched MeSH terms: Gas Chromatography-Mass Spectrometry
The present study was aimed at determining the compounds available in Eleusine indica methanol extract and the effects on
herpes simplex virus type 1 (HHV1) replication cycle and progeny infectivity. Twelve compounds mostly from the flavonoid
and phenolic groups were identified by Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS) analysis. The
effect on replication phases of HHV1 was determined by time-of-addition, time-removal and virus yield reduction assays
with expression of selected genes analysed by quantitative Real Time-Polymerase Chain Reaction (qRT-PCR). The extract
inhibited plaque formation the most during the first 2 h and at 24 h of infection. Plaque formation inhibition was also
noted at all other time points but at lesser percentage. Treatment with E. indica reduced progeny infectivity when treated
for 10 h and was dose-dependent. E. indica methanol extract inhibited immediate early, early and late phases of HHV1
replication cycle by modifying the expression of UL
54, UL
27 and UL
30 genes during the infection. Immunostaining of
infected cells confirmed that E. indica inhibited mainly Glycoproteins B but not Glycoprotein C and D. Thus, the methanol
extract of E. indica has the ability to alter HHV1 replication cycle at almost all stages and reduce progeny infectivity.
Agricultural activities have been arising along with the use of pesticides. The use of pesticides can impact not only on vector or other pest but also able to harm human health. Pesticide may leach from the irrigation of plant into the groundwater and in surface water. These waters could be sources of drinking water in a pesticides polluted area. This study aims to determine the occurrence pesticides in surface water and pesticides removal efficiency in a conventional drinking water treatment plant (DWTP) and the potential health risk to consumers. The study was conducted in Tanjung Karang, Selangor, Malaysia. Thirty river water samples and eighteen water samples from DWTP were collected. The water samples were extracted using solid phase extraction (SPE) before injected to the ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS). Five hundreds and ten respondents were interviewed using questionnaires to obtain information for health risk assessments. The results showed that propiconazole had the highest mean concentration (4493.1 ng/L) while pymetrozine had the lowest mean concentration (1.3 ng/L) in river water samples. The pesticides removal efficiencies in the conventional DWTP were 77% (imidacloprid), 86% (propiconazole and buprofezin), 88% (tebuconazole) and 100% (pymetrozine, tricyclazole, chlorantraniliprole, azoxystrobin and trifloxystrobin), respectively. The hazard quotients (HQs) and hazard index (HI) for all target pesticides were <1, indicating there was no significant chronic non-carcinogenic health risk due to consumption of the drinking water. Conventional DWTP was not able to completely remove four pesticide; thus, advanced treatment systems need to be considered to safeguard the health of the community in future.
This research assessed the influence of pickling, fermentation, germination, and tea brewing on lignan content of a variety of food highly consumed in Malaysia. Lignans have been measured by a validated LC-MS/MS method. Secoisolariciresinol (SECO) was the most abundant compound in fermented and germinated samples. Pickling significantly decreased larisiresinol content by approximately 86 %. Fermentation increased lignan content in a mixture of flaxseed and mung beans (799.9 ± 67.4 mg/100 g DW) compared to the unfermented counterpart (501.4 ± 134.6 mg/100 g DW), whereas the fermentation of soybeans and mung beans did not significantly affect the SECO content. Germination increased lignan content, which reached its peak on day 6 of germination for all the tested matrixes. In tea brew, lignans concentration increased with brewing time reaching its highest concentration at 10 min of brewing. The results of this study expand the knowledge on the effect of processing on lignan content in food.
A simple and sensitive method for the determination of bisphenol A and its analogues at the ng/mL level in bottled tea beverages is presented. This method utilized a dynamic pH junction to focus the analyte into a more concentrated zone, based on the electrophoretic mobility difference of analytes in the sample matrix and background electrolytes in capillary electrophoresis coupled to mass spectrometry (CE-MS). The optimised analyte focusing led to enhanced signal detection with average peak heights for five bisphenols of 53-170 folds higher than conventional injections. Under optimised conditions, the method showed good linearity in the range of 0.1-100 ng/mL, excellent limits of detection (0.03-0.04 ng/mL), good analyte recovery (80.3-118.1%) with acceptable relative standard deviations (<12%). The limits of quantifications were below the maximum permissible content of bisphenol A set by the European Commission for this product. This method was used to quantitatively analyse bisphenols in six different kinds of bottled tea beverages, making it a promising tool for practical applications.
The pomegranate peel is a by-product of pomegranate fruit rich in polyphenols. In this study, pomegranate peel polyphenols were explored using LC-MS/MS, and punicalagin was the most abundant compound. The highest yield (505.89 ± 1.73 mg/g DW) of punicalagin was obtained by ultrasonic-assisted extraction (UAE) with the ethanol concentration of 53%, sample-to-liquid ratio of 1:25 w/v, ultrasonic power of 757 W, and extraction time of 25 min. Punicalagin was further purified by the macroporous resin D101 and prep-HPLC, reaching the purity of 92.15%. The purified punicalagin had the IC50 of 82 ± 0.02 µg/mL against α-glucosidase, similar to the punicalagin standard with IC50 of 58 ± 0.014 µg/mL, both exhibiting a mixed inhibitory mechanism. Molecular docking further revealed that a steric hindrance with the intermolecular energy of -7.99 kcal/mol was formed between punicalagin and α-glucosidase. Overall, pomegranate peel is a promising source of punicalagin to develop anti-diabetic functional foods.
Graphene (G) modified with magnetite (Fe3O4) and sol-gel hybrid tetraethoxysilane-methyltrimethoxysilane (TEOS-MTMOS) was used as a clean-up adsorbent in magnetic solid phase extraction (MSPE) for direct determination of acrylamide in various food samples prior to gas chromatography-mass spectrometry analysis. Good linearity (R2=0.9990) was achieved for all samples using matrix-matched calibration. The limit of detection (LOD=3×SD/m) obtained was 0.061-2.89µgkg-1 for the studied food samples. Native acrylamide was found to be highest in fried potato with bright-fleshed (900.81µgkg-1) and lowest in toasted bread (5.02µgkg-1). High acrylamide relative recovery (RR=82.7-105.2%) of acrylamide was obtained for spiked (5 and 50µgkg-1) food samples. The Fe3O4@G-TEOS-MTMOS is reusable up to 7 times as a clean-up adsorbent with good recovery (>85%). The presence of native acrylamide was confirmed by mass analysis at m/z=71 ([C3H5NO]+) and m/z=55 ([C3H3O]+).
Matched MeSH terms: Gas Chromatography-Mass Spectrometry
In this study, mannanoligosaccharides (MOS) were isolated from palm kernel cake by aqueous extraction using high temperature and pressure. Structural characterization of MOS was carried out using acid hydrolysis, methylation analysis, ESI-MS/MS and 1D/2D NMR. The prebiotic activity of MOS was evaluated in vitro using two probiotic Lactobacillus strains. Sugar analysis indicated the presence of mannose in each of the oligomers. Methylation and 1D/2D NMR analysis indicated that the MOS have a linear structure consisting of (1→4)-β-d-mannopyranosyl residues. ESI-MS/MS results showed that the isolated mannan oligomers, MOS-III, MOS-IV, MOS-V and MOS-VI consist of tetra-, penta-, hexa-, and hepta-saccharides with molecular weights of 689, 851, 1013 and 1151Da, respectively. Based on the in vitro growth study, MOS-III and MOS-IV was found to be effective in selectively promoting the growth of Lactobacillus reuteri C1 strain as evidenced by the optical density of the culture broth.
Fifty-five core marine sediments from three locations at South China Sea and one location each at Sulu Sea and Sulawesi Sea of coastal East Malaysia were analyzed for heavy metals by instrumental neutron activation analysis and inductively coupled plasma mass spectroscopy. The enrichment factor and the modified degree of contamination were used to calculate the anthropogenic and pollution status of the elements in the samples. The enrichment factor of As, Cd, Cr, Cu, Ni, Pb, and Zn varied from 0.42-4.26, 0.50-2.34, 0.31-0.82, 0.20-0.61, 0.91-1.92, 0.23-1.52, and 0.90-1.28, respectively, with the modified degree of contamination values below 0.6. Comparative data showed that coastal East Malaysia has low levels of contamination.
Tropidolaemus wagleri and Cryptelytrops purpureomaculatus are venomous pit viper species commonly found in Malaysia. Tandem mass spectrometry analysis of the crude venoms has detected different proteins in T. wagleri and C. purpureomaculatus. They were classified into 13 venom protein families consisting of enzymatic and nonenzymatic proteins. Enzymatic families detected in T. wagleri and C. purpureomaculatus venom were snake venom metalloproteinase, phospholipase A₂, ʟ-amino acid oxidase, serine proteases, 5'-nucleotidase, phosphodiesterase, and phospholipase B. In addition, glutaminyl cyclotransferase was detected in C. purpureomaculatus. C-type lectin-like proteins were common nonenzymatic components in both species. Waglerin was present and unique to T. wagleri-it was not in C. purpureomaculatus venom. In contrast, cysteine-rich secretory protein, bradykinin-potentiating peptide, and C-type natriuretic peptide were present in C. purpureomaculatus venom. Composition of the venom proteome of T. wagleri and C. purpureomaculatus provides useful information to guide production of effective antivenom and identification of proteins with potential therapeutic applications.