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R P Monasterio, L Olmo-García, A Bajoub, A Fernandez-Gutierrez, A Carrasco-Pancorbo
The aim of this work was to achieve a preliminary characterization of the profile of the phenolic fraction of virgin olive oils (VOOs) from Maipú (Mendoza, Argentina). Thus, 25 commercial VOO samples from Arauco, Arbequina, Picual, Frantoio, Changlot, Empeltre, Nevadillo, Manzanilla and Coratina (both monovarietals and blends) were analyzed using LC-ESI-QTOF MS and LC-ESI-IT MS for identification and quantification purposes, respectively. A rapid LC method (15 min) accomplished quantitative information about a total of 40 phenolic compounds, including secoiridoid derivatives, which have not been evaluated before in samples coming from the sub-region so-called Maipú (Mendoza province, Argentina)...
August 14, 2017: Journal of Agricultural and Food Chemistry
K Kristensen, L N Jensen, M Glasius, M Bilde
This study presents a newly constructed temperature controlled cold-room smog chamber at Aarhus University, Denmark. The chamber is herein utilized to study the effect of sub-zero temperature on the formation and chemical composition of secondary organic aerosol (SOA) from ozone initiated oxidation of α-pinene. The chemical composition of α-pinene SOA formed from dark ozonolysis of α-pinene at 293 K and 258 K was investigated using High-Resolution Time-of-Flight Aerosol Mass Spectrometry (HR-ToF-AMS) and Ultra-High Performance Liquid Chromatography/Electrospray Ionization Quadrupole Time-of-Flight Mass Spectrometry (UHPLC/ESI-qToF-MS)...
August 14, 2017: Environmental Science. Processes & Impacts
Zuoliang Zheng, Shengqing Li, Yuping Zhong, Ruoting Zhan, Yan Yan, Huafeng Pan, Ping Yan
An effective ultra-performance liquid chromatography coupled with the quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF/MS) method was developed for analysing the chemical constituents in rat plasma and urine after the oral administration of Rubia cordifolia L. extract. Under the optimized conditions, nine of 11 prototypes in rat plasma and four prototypes in urine were identified or characterized by comparing the retention time, accurate mass, fragmentation patterns, reference compounds, and literature data...
August 11, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Morgan J Cichon, Ken M Riedl, Lei Wan, Jennifer M Thomas-Ahner, David M Francis, Steven K Clinton, Steven J Schwartz
SCOPE: Diets rich in tomato products are associated with a reduced risk of various chronic disease processes. The carotenoid lycopene is most intensely studied as the bioactive mediating health effects, yet tomatoes contain an array of phytochemicals. We conducted an untargeted metabolomics study on blood plasma to identify novel markers of tomato consumption absorbed from the diet and released into the bloodstream in mice. METHODS AND RESULTS: Male mice were fed a control AIN-93G diet or the same diet supplemented with 0...
August 9, 2017: Molecular Nutrition & Food Research
Agnessa Luft, Kathrin Bröder, Uwe Kunkel, Manoj Schulz, Christian Dietrich, Roland Baier, Peter Heininger, Thomas A Ternes
A novel approach was investigated for the assessment of leaching from a one-component polyurethane (1C-PU) coating used for hydraulic structures using nontarget analysis via LC-QTOF-MS. Leaching behavior of the 1C-PU coating was studied using experiments in which the coating was exposed to water for defined periods (6 h, 24 h, 3 d, 14 d). Three hardening durations for the 1C-PU coating were tested (0 h, 24 h, 14 d) as well as two water matrices (ultrapure water and river water), including a successive water renewal...
August 9, 2017: Environmental Science & Technology
Sabrine Sellimi, Abdelkarim Benslima, Veronique Barragan-Montero, Mohamed Hajji, Moncef Nasri
The present study investigated the antioxidant and antimicrobial activities of naturally occurring Cystoseira barbata seaweed glyco-conjugates (CBGs), with a view to developing safer food preservatives. CBGs were successfully isolated, then chemically and structurally characterized. CBGs contained a high amount of polysaccharides (49.76%) that consisted mainly of neutral sugars (47.67%) and uronic acids (2.09%). The carbohydrate fraction was sulfated (13.81%) and conjugated with proteins (9.86%) and phenolic compounds (4...
August 3, 2017: International Journal of Biological Macromolecules
Mirna Meana Dias, Ohana Zuza, Lorena R Riani, Priscila de Faria Pinto, Pedro Luiz Silva Pinto, Marcos P Silva, Josué de Moraes, Ana Caroline Z Ataíde, Fernanda de Oliveira Silva, Alzira Batista Cecílio, Ademar A Da Silva Filho
Schistosomiasis and herpes diseases represent serious issues to the healthcare systems, infecting a large number of people worldwide, mainly in developing countries. Arctium lappa L. (Asteraceae), known as "bardana" and "burdock", is a medicinal plant popularly used for several purposes, including as antiseptic. In this study, we evaluated the in vitro schistosomicidal and antiherpes activities of the crude extract of A. lappa, which have not yet been described. Fruits of A. lappa L. were extracted by maceration with ethanol: H2O (96:4 v/v) in order to obtain the hydroalcoholic extract of A...
August 3, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
Mahmoud Hefny Gad, Emmy Tuenter, Nagwa El-Sawi, Sabry Younes, El-Mewafy El-Ghadban, Kristiaan Demeyer, Luc Pieters, Yvan Vander Heyden, Debby Mangelings
INTRODUCTION: The plant species Ipomoea aquatica contains various bioactive constituents, e.g. phenols and flavonoids, which have several medical uses. All previous studies were executed in Asia; however, no reports are available from Africa, and the secondary metabolites of this plant species from Africa are still unknown. OBJECTIVE: The present study aims finding suitable conditions to identify the bioactive compounds from different fractions. METHODOLOGY: Chromatographic fingerprint profiles of different fractions were developed using high-performance liquid chromatography (HPLC) and then these conditions were transferred to thin-layer chromatography (TLC)...
August 4, 2017: Phytochemical Analysis: PCA
Hafiza Parkar, Olayinka Ayobami Aiyegoro, Paul Steenkamp, Vanessa Steenkamp
Terminalia sericea is a plant that has been used amongst others medicinally to treat wounds. The aim of this study was to assess the in vitro wound healing ability of T. sericea. Hot water, methanol, ethyl acetate, and hexane extracts were prepared. Thin layer chromatography (TLC) and ultra-performance liquid chromatography time of flight mass spectrometry (UPLC-TOF-MS) were used to determine the phytochemical classes and genus specific compounds present in the plant. Cytotoxicity was assessed in the SC-1 fibroblast and EA...
August 2, 2017: Planta Medica
Cuizhu Wang, Nanqi Zhang, Zhenzhou Wang, Zeng Qi, Hailin Zhu, Bingzhen Zheng, Pingya Li, Jinping Liu
Platycodonis radix is extensively used for treating cough, excessive phlegm, sore throat, bronchitis and asthma in the clinic. Meanwhile, the stems, leaves and seeds of Platycodon grandiflorum (PG) have some pharmaceutical activities such as anti-inflammation and anti-oxidation effects, etc. These effects must be caused by the different metabolites in various parts of herb. In order to profile the different parts of PG, the ultra-high performance liquid chromatography combined with quadrupole time-of- flight mass spectrometry (UPLC-QTOF-MS(E)) coupled with UNIFI platform and multivariate statistical analyses was used in this study...
August 3, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Magdalena Montowska, Emilia Fornal
This study evaluated the application of label-free, relative quantification of highly processed meat proteins to authenticate processed meat products. Quantitation was based on proteins for which heat-stable and species-specific peptide markers had been detected. Using nano-LC-QTOF-MS/MS, 20 new, heat-stable peptide markers unique to chicken, duck and goose were identified, with significant scores. The method enabled detection of 1%(w/w) of chicken and 1%(w/w) pork in a mixture of the meat of three species, as well as 0...
December 15, 2017: Food Chemistry
Christine Baduel, Jochen F Mueller, Anna Rotander, John Corfield, Maria-José Gomez-Ramos
Aqueous film forming foams (AFFFs) have been released at fire training facilities for several decades resulting in the contamination of soil and groundwater by per- and polyfluoroalkyl substances (PFASs). AFFF compositions are proprietary and may contain a broad range of PFASs for which the chemical structures and degradation products are not known. In this study, high resolution quadrupole-time-of-flight tandem mass spectrometry (LC-QTOF-MS/MS) in combination with data processing using filtering strategies was applied to characterize and elucidate the PFASs present in concrete extracts collected at a fire training ground after the historical use of various AFFF formulations...
June 23, 2017: Chemosphere
Dongyu Gu, Yi Yang, Mahinur Bakri, Qibin Chen, Haji Akber Aisa
Nitraria sibirica is a traditional Uighur medicine. This study was undertaken to investigate the bioactivity of N. sibirica fruit extract and to evaluate their chemical compositions. The ethyl acetate extract from N. sibirica fruits exhibited the potential antioxidant activity (SC50 = 30.17 ± 0.06 μg/mL) and protein tyrosine phosphatase 1B inhibitory activity (IC50 = 7.15 ± 0.03 μg/mL) in vitro. In order to investigate the active constituents in this extract, a LC-QTOF-MS/MS method was developed and established...
July 31, 2017: Natural Product Research
Peixi Zhu, Jingxian Lu, Zhijian Wang, Weike Su, Yue Chen, Ann Van Schepdael, Erwin Adams
As requested by regulatory authorities, impurity profiling is an important issue of quality control. In this work, a simple and sensitive liquid chromatographic (LC) method compatible with mass spectrometry (MS) was developed to study related substances and degradation products in sodium cromoglycate drug substance and eye drops. The method used a Sunfire column (4.6mm×150mm, 3.5μm). Mobile phase A consisted of 10mM ammonium formate and mobile phase B was acetonitrile. Linear gradient elution with a post-run time of 8min was performed as follows: 0-30min, 3% B to 50% B; 30-35min, 50% B...
July 18, 2017: Journal of Pharmaceutical and Biomedical Analysis
M Krämer, S Broecker, B Madea, C Hess
Metabolism of the tricyclic azaphenothiazine neuroleptic drug prothipendyl was investigated with in vitro studies using human liver microsomes but also specific isoforms of cytochrome P450 (CYP) enzymes. Identification and analysis of metabolites was done by liquid chromatography (LC) coupled with quadrupole time of flight mass spectrometry (LC-QTOF-MS) as well as triple quadrupole mass spectrometry (LC-QQQ-MS). Results of the herein presented study revealed the proof of various demethylated and oxidized metabolites (-CH2, -C2H4, four derivatives of prothipendyl +O and three derivatives of prothipendyl -CH2+O)...
July 12, 2017: Journal of Pharmaceutical and Biomedical Analysis
Keabetswe Masike, Bradley S Khoza, Paul A Steenkamp, Elize Smit, Ian A Dubery, Ntakadzeni E Madala
Vernonia fastigiata is a multi-purpose nutraceutical plant with interesting biological properties. However, very little is known about its phytochemical composition and, thus the need for its phytochemical characterization. In the current study, an environmentally friendly method, pressurized hot water extraction (PHWE), was used to extract metabolites from the leaves of V. fastigiata at various temperatures (50 °C, 100 °C, 150 °C and 200 °C). Ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-qTOF-MS) analysis in combination with chemometric methods, particularly principal component analysis (PCA) and liquid/gas chromatography mass spectrometry (XCMS) cloud plots, were used to descriptively visualize the data and identify significant metabolites extracted at various temperatures...
July 27, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Jian Liang, Yang Chen, Gang Ren, Wei Dong, Min Shi, Li Xiong, Jiankang Li, Jiahao Dong, Fei Li, Jinbin Yuan
Euodia rutaecarpa is a common traditional Chinese medicine (TCM) in clinical practice, having the ability to suppress pain and cease coughing; however, with the increasing reports showing that it is toxic, particularly hepatotoxic, the concerns raised by what cause its toxicity is growing. In the current study, an analysis method based on the spectrum effect has been employed to screen the major hepatotoxic components in Euodia rutaecarpa so that the toxic material's basis would be elucidated. A fingerprinting method of the Euodia rutaecarpa extracts (which were petroleum ether, chloroform, ethyl acetate, n-butanol, and water) using ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometer (UHPLC-QTOF/MS) has been developed...
July 27, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Hailuan Zeng, Renchao Tong, Wenxin Tong, Qiaoling Yang, Miaoyan Qiu, Aizhen Xiong, Siming Sun, Lili Ding, Hongli Zhang, Li Yang, Jingyan Tian
To investigate the metabolic biomarkers of predicting the transition from pre-diabetes (pre-DM) to normal glucose regulation (NGR) and diabetes (DM) in a longitudinal cohort study. 108 participants with pre-DM were followed up for ten years and divided into 3 groups according to different glycemic outcomes. 20 participants progressed to DM, 20 regressed to NGR, and 68 remained at pre-DM. Alterations in plasma metabolites in these groups were evaluated by untargeted ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS)...
July 26, 2017: Scientific Reports
X Yang, L Sun, A Zhao, X Hu, Y Qing, J Jiang, C Yang, T Xu, P Wang, J Liu, J Zhang, L He, W Jia, C Wan
Previous studies have indicated that schizophrenia is linked to abnormal lipid metabolism. Free fatty acids (FFAs) in peripheral blood can reflect the status of lipid metabolism in human body. The purpose of this study was to scan the FFA pattern and elucidate the characteristics of lipid metabolic abnormality in schizophrenia patients. One hundred and ten patients with schizophrenia (SCZs) and 109 healthy controls (HCs) were included in the study and divided into a discovery set and a validation set. Forty-seven serum FFAs were detected by UPLC-QTOF-MS and 39 of them were absolutely quantified by establishing standard curves...
July 25, 2017: Translational Psychiatry
Ana López-Cobo, Beatriz Martín-García, Antonio Segura-Carretero, Alberto Fernández-Gutiérrez, Ana María Gómez-Caravaca
Two different gas chromatography coupled to quadrupole-time of flight mass spectrometry (GC-QTOF-MS) methodologies were carried out for the analysis of phytosterols and tocopherols in the flesh of three mango cultivars and their by-products (pulp, peel, and seed). To that end, a non-polar column ((5%-phenyl)-methylpolysiloxane (HP-5ms)) and a mid-polar column (crossbond trifluoropropylmethyl polysiloxane (RTX-200MS)) were used. The analysis time for RTX-200MS was much lower than the one obtained with HP-5ms...
July 22, 2017: International Journal of Molecular Sciences
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