A simple and fast method for metabolomic analysis by gas liquid chromatography-mass spectrometry.

Introduction: The metabolomic profile is an essential tool for understanding the physiological processes of biological samples and their changes. In addition, it makes it possible to find new substances with industrial applications or use as drugs. As GC-MS is a very common tool for obtaining the metabolomic profile, a simple and fast method for sample preparation is required.

Architecture and function of human uromodulin filaments in urinary tract infections.

Uromodulin is the most abundant protein in human urine, and it forms filaments that antagonize the adhesion of uropathogens; however, the filament structure and mechanism of protection remain poorly understood. We used cryo-electron tomography to show that the uromodulin filament consists of a zigzag-shaped backbone with laterally protruding arms. N-glycosylation mapping and biophysical assays revealed that uromodulin acts as a multivalent ligand for the bacterial type 1 pilus adhesin, presenting specific epitopes on the regularly spaced arms.

Rice-Associated Rhizobacteria as a Source of Secondary Metabolites against .

Various diseases, including bacterial panicle blight (BPB) and sheath rot, threaten rice production. It has been established that () is the causative agent of the above mentioned pathologies. In the present study, antagonistic activity, growth promotion, and the metabolite profiles of two rhizobacteria, isolated in different paddy fields, were assessed against .

Wind and power density data of strategic offshore locations in the Colombian Caribbean coast.

The high potential of wind speed in the Colombian Caribbean coast is an opportunity to develop offshore wind energy technology. This article contains the wind speed and wind power density in four strategic locations in Colombia (Cartagena, Barranquilla, Santa Marta and La Guajira) at different elevations. The dataset from this study is related to the research paper "Renewables energies in Colombia and the opportunity for the offshore wind technology published in Journal of Cleaner Production (Rueda-Bayona et al.

Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices.

Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled.

Data supporting the improvement of forecasting and control of electricity consumption in hotels.

Improving and managing the electricity efficiency in hotel facilities is essential to reduce the hotel operation costs and its environmental impacts. The data presented shows the evolution of the electricity consumption and management between 2013 and 2015 in two hotel facilities in Cuba (one beach hotel and one city hotel). The data additionally includes the daily measures used to develop control tools for an energy management system.

Chemical Characterization and Biotechnological Applicability of Pigments Isolated from Antarctic Bacteria.

Considering the global trend in the search for alternative natural compounds with antioxidant and sun protection factor (SPF) boosting properties, bacterial carotenoids represent an opportunity for exploring pigments of natural origin which possess high antioxidant activity, lower toxicity, no residues, and no environmental risk and are readily decomposable. In this work, three pigmented bacteria from the Antarctic continent, named Arthrobacter agilis 50cyt, Zobellia laminarie 465, and Arthrobacter psychrochitiniphilus 366, were able to withstand UV-B and UV-C radiation. The pigments were extracted and tested for UV absorption, antioxidant capacity, photostability, and phototoxicity profile in murine fibroblasts (3T3 NRU PT-OECD TG 432) to evaluate their further potential use as UV filters.

Pigments in an iridescent bacterium, Cellulophaga fucicola, isolated from Antarctica.

An iridescent yellow pigmented bacterium isolated from the Antarctic continent, named Cellulophaga fucicola strain 416, was found to be able to tolerate UV-B radiation. Its crude pigment extract was tested for antioxidant capacity, UV light stability and phototoxicity profile against murine fibroblast lines. The pigments were further isolated and chemically identified by ultra-high-performance liquid chromatography with photodiode array and mass spectrometry detectors.

Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists.

The transient receptor potential vanilloid type-2 (TRPV2) protein is a nonselective Ca permeable channel member of the TRPV subfamily, still considered an orphan TRP channel due to the scarcity of available selective and potent pharmacological tools and endogenous modulators. Here we describe the discovery of novel synthetic long-chain capsaicin derivatives as potent TRPV2 antagonists in comparison to the totally inactive capsaicin, the role of their hydrophobic chain, and how the structure-activity relationships of such derivatives led, through a ligand-based approach, to the identification of endogenous long-chain fatty acid ethanolamides or primary amides acting as TRPV2 antagonists. Both synthetic and endogenous antagonists exhibited differential inhibition against known TRPV2 agonists characterized by distinct kinetic profiles.

A fast and reliable ultrahigh-performance liquid chromatography method to assess the fate of chlorophylls in teas and processed vegetable foodstuff.

A total of 48 chlorophylls and derivatives were identified and successfully determined in tea and processed vegetable and fruit foodstuff by UHPLC with photodiode-array and mass spectrometry detection. The method allowed the proper separation of chlorophyll derivatives resulting from demetallation, dephytilation, decarbomethoxylation, epimerisation and copperisation. The method was performed in less than 12 min, using an optimised ternary gradient (MeOH, iPrOH, MeCN and HO with 10 mM of ammonium acetate) on an ACQUITY HSS T3 column.

Bulk industrial fruit fibres. Characterization and prevalence of the original fruit metabolites.

Here we analysed the content of primary and secondary metabolites in nine types of industrially processed fibres derived from the juice industry. Specifically, we examined fibre from: apple, peach, and pear, as non-citrus fruits; the peel and flesh of orange and tangerine, and lemon flesh, as citrus fruits; and carrot, as vegetable. Regarding primary metabolites, the sugar content ranged from 21.

Determinants of the assembly and function of antibody variable domains.

The antibody Fv module which binds antigen consists of the variable domains V and V. These exhibit a conserved ß-sheet structure and comprise highly variable loops (CDRs). Little is known about the contributions of the framework residues and CDRs to their association.

Development of a SBSE-TD method coupled to GC-MS and chemometrics for the differentiation of variety and processing conditions in peach juices.

Peach juices of distinct varieties, namely yellow- and red-fleshed, and commercial and freshly blended were analyzed. The method used was based on Stir Bar Sorptive Extraction (SBSE) involving a polydimethylsiloxane-coated stir bar with thermal desorption (TD), followed by gas chromatography coupled to mass spectrometry (GC-MS) analysis. The resulting analytical data included 41 compounds belonging to several chemical classes, such as aldehydes, alcohols, lactones, terpenoids, fatty aldehydes, fatty acids and hydrocarbons.

Dispersive liquid-liquid microextraction and injection-port derivatization for the determination of free lipophilic compounds in fruit juices by gas chromatography-mass spectrometry.

A method consisting of dispersive liquid-liquid microextraction (DLLME) followed by injection-port derivatization and gas chromatography-mass spectrometry (GC-MS) for the analysis of free lipophilic compounds in fruit juices is described. The method allows the analysis of several classes of lipophilic compounds, such as fatty acids, fatty alcohols, phytosterols and triterpenes. The chromatographic separation of the compounds was achieved in a chromatographic run of 25.

Prevalence of pesticides in postconsumer agrochemical polymeric packaging.

Pesticide remains contained in agrochemical packaging waste are a source of uncontrolled risk for human health; they are also a quality feedstock for the plastic recycling industry. Many governments have recently started to establish laws and regulations to develop systems for recovering and recycling the polymeric packages used for pesticides. There is also a demand in having a procedure to control the suitability of the pesticide packages to be reused.

Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude.

The complex between the bacterial type 1 pilus subunit FimG and the peptide corresponding to the N-terminal extension (termed donor strand, Ds) of the partner subunit FimF (DsF) shows the strongest reported noncovalent molecular interaction, with a dissociation constant (KD ) of 1.5×10(-20)  m. However, the complex only exhibits a slow association rate of 330 m(-1)  s(-1) that limits technical applications, such as its use in affinity purification.

A rapid gas chromatographic injection-port derivatization method for the tandem mass spectrometric determination of patulin and 5-hydroxymethylfurfural in fruit juices.

A novel method consisting of injection-port derivatization coupled to gas chromatography-tandem mass spectrometry is described. The method allows the rapid assessment of 5-hydroxymethylfurfural (HMF) and patulin content in apple and pear derivatives. The chromatographic separation of the compounds was achieved in a short chromatographic run (12.

Injection-port derivatization coupled to GC-MS/MS for the analysis of glycosylated and non-glycosylated polyphenols in fruit samples.

Polyphenols, including glycosylated polyphenols, were analyzed via a procedure based on injection-port derivatization coupled to gas chromatography-tandem mass spectrometry (GC-MS/MS). The polyphenols in lyophilized fruit samples were extracted with an acidified MeOH mixture assisted by ultrasound. Samples were dried under vacuum, and carbonyl groups were protected with methoxylamine.

Catch-bond mechanism of the bacterial adhesin FimH.

Ligand-receptor interactions that are reinforced by mechanical stress, so-called catch-bonds, play a major role in cell-cell adhesion. They critically contribute to widespread urinary tract infections by pathogenic Escherichia coli strains. These pathogens attach to host epithelia via the adhesin FimH, a two-domain protein at the tip of type I pili recognizing terminal mannoses on epithelial glycoproteins.

Comprehensive Two-dimensional Gas Chromatography Time-of-flight Mass Spectrometry to Assess the Presence of α,α-Trehalose and Other Disaccharides in Apple and Peach.

Introduction: Carbohydrates are important constituents in fruits. Among the carbohydrates, disaccharides have rarely been studied in apple and peach. Indeed, the abiotic stress biomarker and preservation agent α,α-trehalose is a disaccharide.

Characterisation of phenolic compounds in processed fibres from the juice industry.

The content of phenolic compounds was determined in nine industrially processed fibres derived from the juice industry. Apple, peach, and pear as non-citrus fruit fibres were examined, as well as orange peel and flesh, tangerine peel and flesh, and lemon flesh as citrus fruit fibres, and carrot as vegetable fibre. The extractable phenolic profile of all fibres was obtained by UPLC-PDA-FLR-MS/MS.

Ultra performance liquid chromatography analysis to study the changes in the carotenoid profile of commercial monovarietal fruit juices.

We have developed an analytical method that allows the simultaneous determination of epoxycarotenoids, hydroxycarotenoids and carotenes in monovarietal fresh homemade and industrially processed fruit products. Analyses were carried out using ultra performance liquid chromatography (UPLC). The extraction method was optimized using methanol as the first extraction solvent for lyophilized samples followed by a saponification step.

Resistance to peloruside A and laulimalide: functional significance of acquired βI-tubulin mutations at sites important for drug-tubulin binding.

Cancer cell lines selected for resistance to microtubule targeting agents (MTA) often have acquired mutations in the β-tubulin binding sites for these agents. Despite strong correlational evidence, the functional and quantitative significance of such mutations in the resistance to MTA remains unknown. We recently showed that peloruside A (PLA) and laulimalide (LAU)-resistant cancer cell lines, 1A9-R1 (R1) and 1A9-L4 (L4), generated through multi-step selection of human 1A9 ovarian cancer cells with high concentrations of either PLA (for R1) or LAU (for L4) have single distinct mutations in their βI-tubulin gene.

UHPLC-MS analysis of juvenile hormone II in Mediterranean corn borer (Sesamia nonagrioides) hemolymph using various ionization techniques.

The juvenile hormones (JHs) have been considered the most versatile hormones in the animal kingdom. JH-II is the most abundant JH in Sesamia nonagrioides, important maize pests in the Mediterranean basin. This study compared the sensitivities and matrix effects of four ionization modes on analyzing JH-II in S.

Fast determination of oleic acid in pork by flow injection analysis/mass spectrometry.

In some Mediterranean products such as olive oil or ham, oleic acid is the most abundant component of the total fat. Due to the large volume of trade in these products, it may be necessary to analyze oleic fatty acids in high numbers of samples in short periods of time. However, using classic lipid analysis techniques, it is not always possible to cope with these high demands.