64 results on '"Pérez-Trujillo M"'
Search Results
2. Direct Monitoring of Exogenous gamma-Hydroxybutyric Acid in Body Fluids by NMR Spectroscopy
- Author
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Palomino-Schätzlein M, Wang Y, Brailsford AD, Parella T, Cowan DA, Legido-Quigley C, and Pérez-Trujillo M
- Abstract
gamma-Hydroxybutyric acid (GHB) is a popular drug increasingly associated with cases of drug-facilitated sexual assault (DFSA). Currently, expanding procedures of analysis and having forensic evidence of GHB intake in a long term are mandatory. Up to now, most studies have been performed using GC/MS and LC-MS as analytical platforms., which involve significant manipulation of the sample and, often, indirect measurements. In this work, procedures used in NMR-based metabolomics were applied to a GHB clinical trial on urine and serum. Detection, identification, and quantification of the drug by NMR methods were surveyed, as well as the use of NMR-based metabolomics for the search of potential surrogate biomarkers of GHB consumption. Results demonstrated the suitability of NMR spectroscopy, as a robust nondestructive technique, to fast and directly monitor (detect, identify, and quantify) exogenous GHB in almost intact body fluids and its high potential in the search for metabolites associated with GHB intake.
- Published
- 2017
3. Guide for the implementation of the national techno- surveillance program at the Medellín general hospital
- Author
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Vásquez-Franco, C. (Catalina) and Pérez-Trujillo, M. (Mauricio)
- Subjects
INSTITUCIÓN PRESTADORA DE SERVICIOS DE SALUD ,BIOMEDICAL TECHNOLOGY ,TECNOLOGÍAS PARA LA SALUD ,TECHNOLOGY IN HEALTH ,HEALTHCARE SERVICES INSTITUTE ,RBI00089 ,HEALTHCARE TECHNOLOGY PLANNING ,NATIONAL TECHNO-SURVEILLANCE PROGRAM ,PLANEACIÓN DE TECNOLOGÍA HOSPITALARIA ,HOSPITAL GENERAL DE MEDELLÍN ,TECNOLOGÍA BIOMÉDICA ,PROGRAMA NACIONAL DE TECNOVIGILANCIA - Abstract
Este caso de estudio propone una guía al Hospital General de Medellín (HGM) para dar cumplimiento al Programa Nacional de Tecnovigilancia. Este programa fue diseñado por el Ministerio de la Protección Social, con al apoyo del Instituto Nacional de Vigilancia de Medicamentos y Alimentos (INVIMA), está reglamentado por la Resolución 4816 de 2008 y tiene un enfoque centrado principalmente en la Seguridad del Paciente. Para el desarrollo de este proyecto, se efectuaron visitas de referenciación a diferentes instituciones del sector salud de Medellín. Durante estas, se realizó una consulta guiada acerca de la tecnovigilancia en Colombia y el mundo y el marco normativo que encierra este programa en el país. A partir de esta información y del Sistema de Gestión Integral de la Calidad del HGM, se realizó un diagnóstico de la situación del Hospital frente al programa de Tecnovigilancia. Además, se diseñó un plan de mejoramiento con estrategias, acciones y herramientas que le permitieran impulsar el programa interno, direccionado al mejoramiento continuo de la calidad de sus servicios y a la seguridad de los pacientes. This case of study offers to Medellín General Hospital (MGH) a guide to comply with the National Techno- Surveillance Program. The Ministry of Social Protection with the support of the National Drug and Food Surveillance Institute (INVIMA) designed this program. It is regulated by the 4816 Resolution of 2008 and its mainly focused on patient safety. For the development of this project, reference visits at different health institutions in the city of Medellín-Colombia were made. During these, a guided consultation was carried out to establish the current state of techno- surveillance programs and regulatory schemes in Colombia and the world. Using this information and the institutional quality management system at the MGH, the authors performed an analysis of the hospital techno- surveillance situation. Further, it was possible to design an improvement plan with strategies, actions and tools that are to be taken into account by the MGH to implement the planned institutional program and that are expected to improve their health care quality services and strengthen patient safety.
- Published
- 2010
4. Metabolic responses of Quercus ilex seedlings to wounding analysed with nuclear magnetic resonance profiling.
- Author
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Sardans, J., Gargallo-Garriga, A., Pérez-Trujillo, M., Parella, T.J., Seco, R., Filella, I., and Peñuelas, J.
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HOLM oak ,PLANT metabolism ,SEEDLINGS ,NUCLEAR magnetic resonance ,LEAVES ,HERBIVORES ,PLANT injuries ,ISOLEUCINE - Abstract
Plants defend themselves against herbivory at several levels. One of these is the synthesis of inducible chemical defences. Using NMR metabolomic techniques, we studied the metabolic changes of plant leaves after a wounding treatment simulating herbivore attack in the Mediterranean sclerophyllous tree Quercus ilex. First, an increase in glucose content was observed in wounded plants. There was also an increase in the content of C-rich secondary metabolites such as quinic acid and quercitol, both related to the shikimic acid pathway and linked to defence against biotic stress. There was also a shift in N-storing amino acids, from leucine and isoleucine to asparagine and choline. The observed higher content of asparagine is related to the higher content of choline through serine that was proved to be the precursor of choline. Choline is a general anti-herbivore and pathogen deterrent. The study shows the rapid metabolic response of Q. ilex in defending its leaves, based on a rapid increase in the production of quinic acid, quercitol and choline. The results also confirm the suitability of
1 H NMR-based metabolomic profiling studies to detect global metabolome shifts after wounding stress in tree leaves, and therefore its suitability in ecometabolomic studies. [ABSTRACT FROM AUTHOR]- Published
- 2014
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5. Metabolic profiling detects early effects of environmental and lifestyle exposure to cadmium in a human population
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Ellis James K, Athersuch Toby J, Thomas Laura DK, Teichert Friederike, Pérez-Trujillo Miriam, Svendsen Claus, Spurgeon David J, Singh Rajinder, Järup Lars, Bundy Jacob G, and Keun Hector C
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metabonomics ,cadmium ,environmental health ,exposome ,metabolomics ,molecular epidemiology ,Medicine - Abstract
Abstract Background The 'exposome' represents the accumulation of all environmental exposures across a lifetime. Top-down strategies are required to assess something this comprehensive, and could transform our understanding of how environmental factors affect human health. Metabolic profiling (metabonomics/metabolomics) defines an individual's metabolic phenotype, which is influenced by genotype, diet, lifestyle, health and xenobiotic exposure, and could also reveal intermediate biomarkers for disease risk that reflect adaptive response to exposure. We investigated changes in metabolism in volunteers living near a point source of environmental pollution: a closed zinc smelter with associated elevated levels of environmental cadmium. Methods High-resolution 1H NMR spectroscopy (metabonomics) was used to acquire urinary metabolic profiles from 178 human volunteers. The spectral data were subjected to multivariate and univariate analysis to identify metabolites that were correlated with lifestyle or biological factors. Urinary levels of 8-oxo-deoxyguanosine were also measured, using mass spectrometry, as a marker of systemic oxidative stress. Results Six urinary metabolites, either associated with mitochondrial metabolism (citrate, 3-hydroxyisovalerate, 4-deoxy-erythronic acid) or one-carbon metabolism (dimethylglycine, creatinine, creatine), were associated with cadmium exposure. In particular, citrate levels retained a significant correlation to urinary cadmium and smoking status after controlling for age and sex. Oxidative stress (as determined by urinary 8-oxo-deoxyguanosine levels) was elevated in individuals with high cadmium exposure, supporting the hypothesis that heavy metal accumulation was causing mitochondrial dysfunction. Conclusions This study shows evidence that an NMR-based metabolic profiling study in an uncontrolled human population is capable of identifying intermediate biomarkers of response to toxicants at true environmental concentrations, paving the way for exposome research.
- Published
- 2012
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6. Targeted and untargeted serum NMR metabolomics to reveal initial kidney disease in diabetes mellitus.
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Lucio-Gutiérrez JR, Cordero-Pérez P, Ávila-Velázquez JL, Torres-González L, Farías-Navarro IC, Govea-Torres G, Sánchez-Martínez C, García-Hernández PA, Coello-Bonilla J, Pérez-Trujillo M, Parella T, Waksman-Minsky NH, and Saucedo AL
- Subjects
- Humans, Male, Middle Aged, Female, Aged, Diabetic Nephropathies blood, Diabetic Nephropathies metabolism, Diabetic Nephropathies diagnosis, Magnetic Resonance Spectroscopy methods, Adult, Prospective Studies, Proton Magnetic Resonance Spectroscopy methods, Metabolomics methods, Diabetes Mellitus, Type 2 blood, Diabetes Mellitus, Type 2 metabolism, Renal Insufficiency, Chronic blood, Renal Insufficiency, Chronic metabolism, Biomarkers blood, Creatinine blood
- Abstract
Serum
1 H NMR metabolomics has been used as a diagnostic tool for screening type 2 diabetes (T2D) with chronic kidney disease (CKD) as comorbidity. This work aimed to evaluate1 H NMR data to detect the initial kidney damage and CKD in T2D subjects, through multivariate statistical analysis. Clinical data and biochemical parameters were obtained for classifying five experimental groups using KDIGO guidelines: Control (healthy subjects), T2D, T2D-CKD-mild, T2D-CKD-moderate, and T2D-CKD-severe. Serum1 H NMR spectra were recorded to follow two strategies: one based on metabolite-to-creatinine (Met/Cr) ratios as targeted metabolomics, and the second one based on untargeted metabolomics from the1 H NMR profile. A prospective biomarkers panel of the early stage of T2D-CKD based in metabolite-to-creatinine ratio (ornithine/Cr, serine/Cr, mannose/Cr, acetate/Cr, acetoacetate/Cr, formate/Cr, and glutamate/Cr) was proposed. Later, a statistical model based on non-targeted metabolomics was used to predict initial CKD, and its metabolic pathway analysis allowed identifying the most affected pathways: phenylalanine, tyrosine, and tryptophan biosynthesis; valine, leucine, and isoleucine degradation; glyoxylate and dicarboxylate metabolism; glycine, serine, and threonine metabolism; and histidine metabolism. Nonetheless, further studies with a larger cohort are advised to precise ranges in metabolite-to-creatinine ratios and evaluate the prediction pertinency to detect initial CKD in T2D patients in both statistical models proposed., Competing Interests: Declaration of Competing Interest Alma L. Saucedo reports financial support was provided by National Council for Science and Technology. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier B.V. All rights reserved.)- Published
- 2024
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7. Correction to: Engineering the synthetic β-alanine pathway in Komagataella phaffii for conversion of methanol into 3-hydroxypropionic acid.
- Author
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Àvila-Cabré S, Pérez-Trujillo M, Albiol J, and Ferrer P
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- 2024
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8. Different profiles of soil phosphorous compounds depending on tree species and availability of soil phosphorus in a tropical rainforest in French Guiana.
- Author
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Gargallo-Garriga A, Sardans J, Llusià J, Peguero G, Ayala-Roque M, Courtois EA, Stahl C, Urban O, Klem K, Nolis P, Pérez-Trujillo M, Parella T, Richter A, Janssens IA, and Peñuelas J
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- Rainforest, Trees, French Guiana, Phosphates, Soil, Phosphorus, Microbiota
- Abstract
Background: The availability of soil phosphorus (P) often limits the productivities of wet tropical lowland forests. Little is known, however, about the metabolomic profile of different chemical P compounds with potentially different uses and about the cycling of P and their variability across space under different tree species in highly diverse tropical rainforests., Results: We hypothesised that the different strategies of the competing tree species to retranslocate, mineralise, mobilise, and take up P from the soil would promote distinct soil
31 P profiles. We tested this hypothesis by performing a metabolomic analysis of the soils in two rainforests in French Guiana using31 P nuclear magnetic resonance (NMR). We analysed31 P NMR chemical shifts in soil solutions of model P compounds, including inorganic phosphates, orthophosphate mono- and diesters, phosphonates, and organic polyphosphates. The identity of the tree species (growing above the soil samples) explained > 53% of the total variance of the31 P NMR metabolomic profiles of the soils, suggesting species-specific ecological niches and/or species-specific interactions with the soil microbiome and soil trophic web structure and functionality determining the use and production of P compounds. Differences at regional and topographic levels also explained some part of the the total variance of the31 P NMR profiles, although less than the influence of the tree species. Multivariate analyses of soil31 P NMR metabolomics data indicated higher soil concentrations of P biomolecules involved in the active use of P (nucleic acids and molecules involved with energy and anabolism) in soils with lower concentrations of total soil P and higher concentrations of P-storing biomolecules in soils with higher concentrations of total P., Conclusions: The results strongly suggest "niches" of soil P profiles associated with physical gradients, mostly topographic position, and with the specific distribution of species along this gradient, which is associated with species-specific strategies of soil P mineralisation, mobilisation, use, and uptake., (© 2024. The Author(s).)- Published
- 2024
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9. Hyperpolarization-Enhanced NMR Spectroscopy of Unaltered Biofluids Using Photo-CIDNP.
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Kuhn LT, Weber S, Bargon J, Parella T, and Pérez-Trujillo M
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- Humans, Magnetic Resonance Spectroscopy methods, Magnetic Resonance Imaging, Metabolomics methods
- Abstract
The direct and unambiguous detection and identification of individual metabolite molecules present in complex biological mixtures constitute a major challenge in (bio)analytical research. In this context, nuclear magnetic resonance (NMR) spectroscopy has proven to be particularly powerful owing to its ability to provide both qualitative and quantitative atomic-level information on multiple analytes simultaneously in a noninvasive manner. Nevertheless, NMR suffers from a low inherent sensitivity and, moreover, lacks selectivity regarding the number of individual analytes to be studied in a mixture of a myriad of structurally and chemically very different molecules, e.g., metabolites in a biofluid. Here, we describe a method that circumvents these shortcomings via performing selective, photochemically induced dynamic nuclear polarization (photo-CIDNP) enhanced NMR spectroscopy on unmodified complex biological mixtures, i.e., human urine and serum, which yields a single, background-free one-dimensional NMR spectrum. In doing this, we demonstrate that photo-CIDNP experiments on unmodified complex mixtures of biological origin are feasible, can be performed straightforwardly in the native aqueous medium at physiological metabolite concentrations, and act as a spectral filter, facilitating the analysis of NMR spectra of complex biofluids. Due to its noninvasive nature, the method is fully compatible with state-of-the-art metabolomic protocols providing direct spectroscopic information on a small, carefully selected subset of clinically relevant metabolites. We anticipate that this approach, which, in addition, can be combined with existing high-throughput/high-sensitivity NMR methodology, holds great promise for further in-depth studies and development for use in metabolomics and many other areas of analytical research.
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- 2024
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10. Engineering the synthetic β-alanine pathway in Komagataella phaffii for conversion of methanol into 3-hydroxypropionic acid.
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Àvila-Cabré S, Pérez-Trujillo M, Albiol J, and Ferrer P
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- Escherichia coli metabolism, beta-Alanine genetics, Metabolic Engineering methods, Methanol metabolism, Escherichia coli K12 genetics
- Abstract
Background: Methanol is increasingly gaining attraction as renewable carbon source to produce specialty and commodity chemicals, as it can be generated from renewable sources such as carbon dioxide (CO
2 ). In this context, native methylotrophs such as the yeast Komagataella phaffii (syn Pichia pastoris) are potentially attractive cell factories to produce a wide range of products from this highly reduced substrate. However, studies addressing the potential of this yeast to produce bulk chemicals from methanol are still scarce. 3-Hydroxypropionic acid (3-HP) is a platform chemical which can be converted into acrylic acid and other commodity chemicals and biopolymers. 3-HP can be naturally produced by several bacteria through different metabolic pathways., Results: In this study, production of 3-HP via the synthetic β-alanine pathway has been established in K. phaffii for the first time by expressing three heterologous genes, namely panD from Tribolium castaneum, yhxA from Bacillus cereus, and ydfG from Escherichia coli K-12. The expression of these key enzymes allowed a production of 1.0 g l-1 of 3-HP in small-scale cultivations using methanol as substrate. The addition of a second copy of the panD gene and selection of a weak promoter to drive expression of the ydfG gene in the PpCβ21 strain resulted in an additional increase in the final 3-HP titer (1.2 g l-1 ). The 3-HP-producing strains were further tested in fed-batch cultures. The best strain (PpCβ21) achieved a final 3-HP concentration of 21.4 g l-1 after 39 h of methanol feeding, a product yield of 0.15 g g-1 , and a volumetric productivity of 0.48 g l-1 h-1 . Further engineering of this strain aiming at increasing NADPH availability led to a 16% increase in the methanol consumption rate and 10% higher specific productivity compared to the reference strain PpCβ21., Conclusions: Our results show the potential of K. phaffii as platform cell factory to produce organic acids such as 3-HP from renewable one-carbon feedstocks, achieving the highest volumetric productivities reported so far for a 3-HP production process through the β-alanine pathway., (© 2023. The Author(s).)- Published
- 2023
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11. Predicting restriction of life-space mobility: a machine learning analysis of the IMIAS study.
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Pérez-Trujillo M, Curcio CL, Duque-Méndez N, Delgado A, Cano L, and Gomez F
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- Humans, Aged, Algorithms, Risk Factors, Aging, Machine Learning, Frailty
- Abstract
Background: Some studies have employed machine learning (ML) methods for mobility prediction modeling in older adults. ML methods could be a helpful tool for life-space mobility (LSM) data analysis., Aim: This study aimed to evaluate the predictive value of ML algorithms for the restriction of life-space mobility (LSM) among elderly people and to identify the most important risk factors for that prediction model., Methods: A 2-year LSM reduction prediction model was developed using the ML-based algorithms decision tree, random forest, and eXtreme gradient boosting (XGBoost), and tested on an independent validation cohort. The data were collected from the International Mobility in Aging Study (IMIAS) from 2012 to 2014, comprising 372 older patients (≥ 65 years of age). LSM was measured by the Life-Space Assessment questionnaire (LSA) with five levels of living space during the month before assessment., Results: According to the XGBoost algorithm, the best model reached a mean absolute error (MAE) of 10.28 and root-mean-square error (RMSE) of 12.91 in the testing portion. The variables frailty (39.4%), mobility disability (25.4%), depression (21.9%), and female sex (13.3%) had the highest importance., Conclusion: The model identified risk factors through ML algorithms that could be used to predict LSM restriction; these risk factors could be used by practitioners to identify older adults with an increased risk of LSM reduction in the future. The XGBoost model offers benefits as a complementary method of traditional statistical approaches to understand the complexity of mobility., (© 2022. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)
- Published
- 2022
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12. Using nuclear magnetic resonance urine metabolomics to develop a prediction model of early stages of renal disease in subjects with type 2 diabetes.
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Lucio-Gutiérrez JR, Cordero-Pérez P, Farías-Navarro IC, Tijerina-Marquez R, Sánchez-Martínez C, Ávila-Velázquez JL, García-Hernández PA, Náñez-Terreros H, Coello-Bonilla J, Pérez-Trujillo M, Parella T, Torres-González L, Waksman-Minsky NH, and Saucedo AL
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- Adult, Aged, Female, Humans, Magnetic Resonance Spectroscopy methods, Male, Metabolome, Metabolomics methods, Middle Aged, Young Adult, Diabetes Mellitus, Type 2 complications, Renal Insufficiency, Chronic diagnosis, Renal Insufficiency, Chronic metabolism
- Abstract
Type 2 diabetes mellitus (DM2) is a multimorbidity, long-term condition, and one of the worldwide leading causes of chronic kidney disease (CKD) -a silent disease, usually detected when non-reversible renal damage have already occurred. New strategies and more effective laboratory methods are needed for more opportune diagnosis of DM2-CKD. This study comprises clinical parameters and nuclear magnetic resonance (NMR)-based urine metabolomics data from 60 individuals (20-65 years old, 67.7% females), sorted in 5 experimental groups (healthy subjects; diabetic patients without any clinical sign of CKD; and patients with mild, moderate, and severe DM2-CKD), according to KDIGO. DM2-CKD produces a continuous variation of the urine metabolome, characterized by an increase/decrement of a group of metabolites that can be used to monitor CKD progression (trigonelline, hippurate, phenylalanine, glycolate, dimethylamine, alanine, 2-hydroxybutyrate, lactate, and citrate). NMR profiles were used to obtain a statistical model, based on partial least squares analysis (PLS-DA) to discriminate among groups. The PLS-DA model yielded good validation parameters (sensitivity, specificity, and area under the curve (AUC) of the receiver operating characteristic curve (ROC) plot: 0.692, 0.778 and 0.912, respectively) and, thus, it can differentiate between subjects with DM2-CKD in early stages, from subjects with a mild or severe condition. This metabolic signature exhibits a molecular variation associated to DM2-CKD, and data suggests it can be used to predict risk of DM2-CKD in patients without clinical signs of renal disease, offering a new alternative to current diagnosis methods., (Copyright © 2022 Elsevier B.V. All rights reserved.)
- Published
- 2022
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13. Fatty Acids and Metabolomic Composition of Follicular Fluid Collected from Environments Associated with Good and Poor Oocyte Competence in Goats.
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Izquierdo D, Roura M, Pérez-Trujillo M, Soto-Heras S, and Paramio MT
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- Animals, Fatty Acids metabolism, Female, Fertilization in Vitro veterinary, Oocytes metabolism, Ovarian Follicle metabolism, Follicular Fluid metabolism, Goats
- Abstract
In goats, embryo oocyte competence is affected by follicle size regardless the age of the females. In previous studies we have found differences in blastocyst development between oocytes coming of small (<3 mm) and large follicles (>3 mm) in prepubertal (1−2 months-old) goats. Oocyte competence and Follicular Fluid (FF) composition changes throughout follicle growth. The aim of this study was to analyze Fatty Acids (FAs) composition and metabolomic profiles of FF recovered from small and large follicles of prepubertal goats and follicles of adult goats. FAs were analyzed by chromatography and metabolites by 1H-Nuclear Magnetic Resonance (1H-NMR) Spectrometry. The results showed important differences between adult and prepubertal follicles: (a) the presence of α,β-glucose in adult and no detection in prepubertal; (b) lactate, -N-(CH3)3 groups and inositol were higher in prepubertal (c) the percentage of Linolenic Acid, Total Saturated Fatty Acids and n-3 PUFAs were higher in adults; and (d) the percentage of Linoleic Acid, total MUFAs, PUFAs, n-6 PUFAs and n-6 PUFAs: n-3 PUFAs ratio were higher in prepubertal goats. Not significant differences were found in follicle size of prepubertal goats, despite the differences in oocyte competence for in vitro embryo production.
- Published
- 2022
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14. Mycobacterial surface characters remodeled by growth conditions drive different tumor-infiltrating cells and systemic IFN-γ/IL-17 release in bladder cancer treatment.
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Guallar-Garrido S, Campo-Pérez V, Pérez-Trujillo M, Cabrera C, Senserrich J, Sánchez-Chardi A, Rabanal RM, Gómez-Mora E, Noguera-Ortega E, Luquin M, and Julián E
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- Animals, Humans, Immunotherapy, Interleukin-17, Mice, Urinary Bladder, Mycobacterium bovis, Urinary Bladder Neoplasms drug therapy
- Abstract
The mechanism of action of intravesical Mycobacterium bovis BCG immunotherapy treatment for bladder cancer is not completely known, leading to misinterpretation of BCG-unresponsive patients, who have scarce further therapeutic options. BCG is grown under diverse culture conditions worldwide, which can impact the antitumor effect of BCG strains and could be a key parameter of treatment success. Here, BCG and the nonpathogenic Mycobacterium brumae were grown in four culture media currently used by research laboratories and BCG manufacturers: Sauton-A60, -G15 and -G60 and Middlebrook 7H10, and used as therapies in the orthotopic murine BC model. Our data reveal that each mycobacterium requires specific culture conditions to induce an effective antitumor response. since higher survival rates of tumor-bearing mice were achieved using M. brumae -A60 and BCG-G15 than the rest of the treatments. M. brumae -A60 was the most efficacious among all tested treatments in terms of mouse survival, cytotoxic activity of splenocytes against tumor cells, higher systemic production of IL-17 and IFN-ɣ, and bladder infiltration of selected immune cells such as ILCs and CD4
TEM . BCG-G15 triggered an antitumor activity based on a massive infiltration of immune cells, mainly CD3+ (CD4+ and CD8+ ) T cells, together with high systemic IFN-ɣ release. Finally, a reduced variety of lipids was strikingly observed in the outermost layer of M. brumae -A60 and BCG-G15 compared to the rest of the cultures, suggesting an influence on the antitumor immune response triggered. These findings contribute to understand how mycobacteria create an adequate niche to help the host subvert immunosuppressive tumor actions., Competing Interests: No potential conflict of interest was reported by the author(s)., (© 2022 The Author(s). Published with license by Taylor & Francis Group, LLC.)- Published
- 2022
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15. Do workers negative self-select when they commute? Evidence for the Chilean case of long-distance commuting.
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Carriel V, Lufin M, and Pérez-Trujillo M
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Long-distance commuting (LDC) as a strategy of labor factor mobility has become relevant in recent decades, mainly in those economies characterized by a significant relative weight of extractive activities. The phenomenon is key to understanding the current structure and dynamics of these labor markets, although little is known about self-selection in LDC. This document addresses this knowledge gap by analyzing the case of Chile using functional areas. Chile is a country where LDC has become the principal strategy of labor mobility and is closely linked to the mining and construction sectors. The results obtained show a pattern of negative self-selection, meaning that it is the least qualified who have the highest probability of commuting between functional areas. Commuting could therefore be more than just a mechanism for accessing qualified labor, allowing less qualified individuals access job opportunities when the labor market where they come from is more qualified., Competing Interests: Conflict of interestNo conflict of interest has been declared by the authors., (© The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2022.)
- Published
- 2022
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16. Dry needling for treating spasticity in multiple sclerosis.
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Del Pilar Pérez-Trujillo M, González-Platas M, Pérez-Martín MY, Revert-Gironés MC, and González-Platas J
- Abstract
[Purpose] The aim of the study is to evaluate the efficacy of dry needling (DN) in the treatment of spasticity in patients with multiple sclerosis (MS). [Participants and Methods] Twelve participants (3 males and 9 females) with MS, with no evidence of a relapse in the last four weeks and with an EDSS (Expanded Disability Status Scale) greater than 2.5 points (related with pyramidal score) were recruited. DN was performed in lower limbs for 12 consecutive sessions and evaluated with: PSFS (Penn Spasm Frequency Scale), VAS (visual analogical scale) of spasticity, EDSS (Pyramidal item), Time up and go (TUG), 25 foot, 9hold peg test (9HPT) and the improvement or not in the quality of life (MSQol54) was verified before and after treatment. A follow up visit was carried out to assess improvement. [Results] All patients improved in: VAS scale, EDSS score, quality of life, 9HPT, 25 foot test and TUG and 90% of them showed a decrease in the number of spasms/hour (PSFS). [Conclusion] Dry needling produces positive changes in spasticity in patients with MS and their quality of life, as well as walking capacity and manual dexterity. Therefore, DN should be considered in the treatment of spasticity in patients with MS., Competing Interests: The authors declare no conflicts of interest associated with this manuscript., (2021©by the Society of Physical Therapy Science. Published by IPEC Inc.)
- Published
- 2021
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17. Benchmarking recombinant Pichia pastoris for 3-hydroxypropionic acid production from glycerol.
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Fina A, Brêda GC, Pérez-Trujillo M, Freire DMG, Almeida RV, Albiol J, and Ferrer P
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- Chloroflexus, Lactic Acid analogs & derivatives, Pichia genetics, Recombinant Proteins genetics, Saccharomycetales, Benchmarking, Glycerol
- Abstract
The use of the methylotrophic yeast Pichia pastoris (Komagataella phaffi) to produce heterologous proteins has been largely reported. However, investigations addressing the potential of this yeast to produce bulk chemicals are still scarce. In this study, we have studied the use of P. pastoris as a cell factory to produce the commodity chemical 3-hydroxypropionic acid (3-HP) from glycerol. 3-HP is a chemical platform which can be converted into acrylic acid and to other alternatives to petroleum-based products. To this end, the mcr gene from Chloroflexus aurantiacus was introduced into P. pastoris. This single modification allowed the production of 3-HP from glycerol through the malonyl-CoA pathway. Further enzyme and metabolic engineering modifications aimed at increasing cofactor and metabolic precursors availability allowed a 14-fold increase in the production of 3-HP compared to the initial strain. The best strain (PpHP6) was tested in a fed-batch culture, achieving a final concentration of 3-HP of 24.75 g l
-1 , a product yield of 0.13 g g-1 and a volumetric productivity of 0.54 g l-1 h-1 , which, to our knowledge, is the highest volumetric productivity reported in yeast. These results benchmark P. pastoris as a promising platform to produce bulk chemicals for the revalorization of crude glycerol and, in particular, to produce 3-HP., (© 2021 The Authors. Microbial Biotechnology published by John Wiley & Sons Ltd and Society for Applied Microbiology.)- Published
- 2021
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18. Special Issue: NMR-Based Metabolomics.
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Pérez-Trujillo M and Athersuch TJ
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- Animals, Chromatography, Liquid, Food Industry, Food Technology, Mass Spectrometry methods, Meat analysis, Metabolome, Multivariate Analysis, Reproducibility of Results, Solanum, Food Analysis methods, Magnetic Resonance Spectroscopy methods, Metabolomics methods
- Abstract
Nuclear magnetic resonance (NMR) spectroscopy remains one of the core analytical platforms for metabolomics, providing complementary chemical information to others, such as mass spectrometry, and offering particular advantages in some areas of research on account of its inherent robustness, reproducibility, and phenomenal dynamic range [...].
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- 2021
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19. Simultaneous Enantiospecific Detection of Multiple Compounds in Mixtures using NMR Spectroscopy.
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Kuhn LT, Motiram-Corral K, Athersuch TJ, Parella T, and Pérez-Trujillo M
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- Stereoisomerism, Magnetic Resonance Spectroscopy methods
- Abstract
Chirality plays a fundamental role in nature, but its detection and quantification still face many limitations. To date, the enantiospecific analysis of mixtures necessarily requires prior separation of the individual components. The simultaneous enantiospecific detection of multiple chiral molecules in a mixture represents a major challenge, which would lead to a significantly better understanding of the underlying biological processes; for example, via enantiospecifically analysing metabolites in their native environment. Here, we report on the first in situ enantiospecific detection of a thirty-nine-component mixture. As a proof of concept, eighteen essential amino acids at physiological concentrations were simultaneously enantiospecifically detected using NMR spectroscopy and a chiral solvating agent. This work represents a first step towards the simultaneous multicomponent enantiospecific analysis of complex mixtures, a capability that will have substantial impact on metabolism studies, metabolic phenotyping, chemical reaction monitoring, and many other fields where complex mixtures containing chiral molecules require efficient characterisation., (© 2020 Wiley-VCH GmbH.)
- Published
- 2020
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20. 31 P-NMR Metabolomics Revealed Species-Specific Use of Phosphorous in Trees of a French Guiana Rainforest.
- Author
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Gargallo-Garriga A, Sardans J, Llusià J, Peguero G, Asensio D, Ogaya R, Urbina I, Langenhove LV, Verryckt LT, Courtois EA, Stahl C, Grau O, Urban O, Janssens IA, Nolis P, Pérez-Trujillo M, Parella T, and Peñuelas J
- Subjects
- French Guiana, Plant Leaves metabolism, Species Specificity, Metabolome, Metabolomics, Phosphorus metabolism, Rainforest, Trees metabolism
- Abstract
Productivity of tropical lowland moist forests is often limited by availability and functional allocation of phosphorus (P) that drives competition among tree species and becomes a key factor in determining forestall community diversity. We used non-target
31 P-NMR metabolic profiling to study the foliar P-metabolism of trees of a French Guiana rainforest. The objective was to test the hypotheses that P-use is species-specific, and that species diversity relates to species P-use and concentrations of P-containing compounds, including inorganic phosphates, orthophosphate monoesters and diesters, phosphonates and organic polyphosphates. We found that tree species explained the 59% of variance in31 P-NMR metabolite profiling of leaves. A principal component analysis showed that tree species were separated along PC 1 and PC 2 of detected P-containing compounds, which represented a continuum going from high concentrations of metabolites related to non-active P and P-storage, low total P concentrations and high N:P ratios, to high concentrations of P-containing metabolites related to energy and anabolic metabolism, high total P concentrations and low N:P ratios. These results highlight the species-specific use of P and the existence of species-specific P-use niches that are driven by the distinct species-specific position in a continuum in the P-allocation from P-storage compounds to P-containing molecules related to energy and anabolic metabolism.- Published
- 2020
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21. Simultaneous acquisition of two 2D HSQC spectra with different 13 C spectral widths.
- Author
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Nolis P, Motiram-Corral K, Pérez-Trujillo M, and Parella T
- Abstract
A time-efficient NMR strategy that involves the interleaved acquisition of two 2D HSQC spectra having different spectral widths in the indirect
13 C dimension is presented. We show how the two equivalent coherence transfer pathways involved in sensitivity-enhanced HSQC experiments are managed selectively and detected separately in different FID periods within the same scan. The feasibility of this new SADA-HSQC (Spectral Aliasing in Dually Acquired HSQC) technique is demonstrated by recording simultaneously two complementary datasets, conventional and highly-resolved spectral-aliased 2D HSQC spectra, in a single NMR experiment. Combining the information from both datasets, accurate chemical shift determination and excellent signal dispersion is achieved in a unique measurement using only few t1 increments., (Copyright © 2019 Elsevier Inc. All rights reserved.)- Published
- 2019
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22. Interleaved Dual NMR Acquisition of Equivalent Transfer Pathways in TOCSY and HSQC Experiments.
- Author
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Nolis P, Motiram-Corral K, Pérez-Trujillo M, and Parella T
- Abstract
A dual NMR data acquisition strategy to handle and detect two active equivalent transfer pathways is presented and discussed. We illustrate the power of this time-efficient approach by collecting two different 2D spectra simultaneously in a single experiment: i) TOCSY or HSQC-TOCSY spectra with different mixing times, ii) F2-
13 C-coupled and decoupled HSQC spectra, iii) conventional and pure-shift HSQC spectra, or iv) complementary HSQC and HSQC-TOCSY spectra., (© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)- Published
- 2019
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23. Broadband homodecoupled time-shared 1 H- 13 C and 1 H- 15 N HSQC experiments.
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Nolis P, Motiram-Corral K, Pérez-Trujillo M, and Parella T
- Abstract
The concepts of pure-shift NMR and time-shared NMR are merged in a single experiment. A
13 C/15 N time-shared version of the real-time BIRD-based broadband homodecoupled HSQC experiment is described. This time-efficient approach affords simultaneously1 H-13 C and1 H-15 N pure-shift HSQC spectra in a single acquisition, while achieving substantial gains in both sensitivity and spectral resolution. We also present a related13 C/15 N-F2-coupled homodecoupled version of the CLIP-HSQC experiment for the simultaneous measurement of1 JCH and1 JNH from the simplified doublets observed along the direct dimension. Finally, a novel J-resolved HSQC experiment has been designed for the simple and automated determination of both1 JCH /1 JNH from a 2D J-resolved spectrum., (Copyright © 2018 Elsevier Inc. All rights reserved.)- Published
- 2019
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24. Implementing one-shot multiple-FID acquisition into homonuclear and heteronuclear NMR experiments.
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Motiram-Corral K, Pérez-Trujillo M, Nolis P, and Parella T
- Abstract
Multiple-FID acquisition (MFA) within the same scan is applied to acquire simultaneously multiple 2D spectra from a single NMR experiment. A discussion on the incorporation of the MFA strategy in several homonuclear and heteronuclear 2D pulse sequences is presented. As a proof of concept, a set of novel COSY, TOCSY and HMBC experiments are reported as a time-efficient solution in small-molecule NMR spectroscopy.
- Published
- 2018
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25. Exopolysaccharides from olive brines could reduce the adhesion of ETEC K88 to intestinal epithelial cells.
- Author
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Zhu Y, González-Ortiz G, Jiménez-Díaz R, Pérez-Trujillo M, Parella T, López-Colom P, and Martín-Orúe SM
- Subjects
- Cell Line, Enterotoxigenic Escherichia coli, Humans, Plant Extracts chemistry, Polysaccharides chemistry, Salts chemistry, Waste Products analysis, Bacterial Adhesion drug effects, Epithelial Cells microbiology, Intestines microbiology, Olea chemistry, Plant Extracts pharmacology, Polysaccharides pharmacology, Salts pharmacology
- Abstract
This study aims to explore the biological functions of the isolated exopolysaccharides (EPSs) produced during the industrial fermentation of olives against enterotoxigenic E. coli (ETEC) K88. Exopolysaccharides were isolated from five industrial fermenters. Analysis of their monosaccharide composition by GLC revealed that the main components were glucose (27%-50%) and galactose (23%-33%) followed by rhamnose (4-23%) and arabinose (6-17%). The 1H NMR spectrum showed a very similar profile between samples, and a more in-depth analysis revealed the presence of an α-pyranose in the form of α-d-Glcp-(1→) and two different α-furanoses, with chemicals shift values, suggesting the presence of α-d-Glcf and α-d-Galf. Miniaturized in vitro tests demonstrated the ability of EPS samples to attach specifically to ETEC K88 (P < 0.05) with variable intensities. The competition test did not show the ability to block the ETEC K88 adhesion to IPEC-J2 cells; however, in the displacement test, all EPS samples were shown to effectively remove the pathogens attached to the cells (P < 0.01). These results suggest that the EPSs produced during the fermentation of table green olives could interfere with the attachment of opportunistic pathogens onto the intestinal epithelial cells. This would open the possibility of novel functional properties for this traditional Mediterranean fermented food and for the isolated EPSs as candidates for nutraceutics to be used in human and/or animal diets in the prevention and treatment of ETEC diarrhoea.
- Published
- 2018
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26. Molecule confirmation and structure characterization of pentatriacontatrienyl mycolate in Mycobacterium smegmatis.
- Author
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Llorens-Fons M, Julián E, Luquin M, and Pérez-Trujillo M
- Subjects
- Carbon-13 Magnetic Resonance Spectroscopy, Cell Wall chemistry, Cell Wall metabolism, Isomerism, Mass Spectrometry, Molecular Conformation, Proton Magnetic Resonance Spectroscopy, Mycobacterium smegmatis metabolism, Mycolic Acids chemistry
- Abstract
Mycobacterium smegmatis is often used to study the different components of mycobacterial cell wall. Mycolic acids are important components of mycobacterial cell wall that have been associated with virulence. Recently, a novel lipid containing mycolic acids has been described in M. smegmatis. However, some uncertainties regarding the structure of this molecule named mycolate ester wax have been reported. The objective of this work was to perform an in depth structural study of this molecule for its precise characterization. Using
1 H and13 C NMR spectroscopy, the molecular structure of mycolate ester wax found in M. smegmatis has been elucidated. The characterization was complemented with MS analyses. This molecule is formed by a carbon chain with three methyl substituted olefinic units and a mycolate structure with trans double bonds and cis cyclopropane rings. The present molecular study will facilitate the detection and identification of pentatriacontatrienyl mycolate in future studies by the performance of a simple 1D1 H NMR experiment., (Copyright © 2017 Elsevier B.V. All rights reserved.)- Published
- 2018
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27. Response to Comment on "Direct Monitoring of Exogenous γ-Hydroxybutyric Acid in Body Fluids by NMR Spectroscopy": Several Issues to Consider When Quantifying γ-Hydroxybutyric Acid in Biological Matrixes.
- Author
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Palomino-Schätzlein M, Brailsford AD, Parella T, and Pérez-Trujillo M
- Subjects
- Biological Products, Magnetic Resonance Spectroscopy, Body Fluids, Hydroxybutyrates
- Published
- 2018
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28. Standardization of the Beck Hopelessness Scale in the general population.
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Kocalevent RD, Finck C, Pérez-Trujillo M, Sautier L, Zill J, and Hinz A
- Subjects
- Adolescent, Adult, Female, Humans, Male, Middle Aged, Psychometrics, Reproducibility of Results, Self Report, Young Adult, Hope, Psychological Tests standards
- Abstract
Background: The Beck Hopelessness Scale (BHS) is a self-report instrument for the quantification of hopelessness in nonpsychiatric, as well as psychiatric patients. Hopelessness is a key psychological variable in suicide prediction. Until now the psychometric properties of the instrument have not been studied in a representative sample of the general population., Aims: The objectives of the study were to generate normative data and to further investigate the construct validity and factorial structure of the BHS., Methods: A nationally representative face-to-face household survey was conducted in Colombia in 2012 (N = 1500)., Results: Cronbach's alpha coefficient for the BHS was 0.81. Confirmatory factor analysis supported a three-factor model, achieving good fit indices (total sample: RMSEA = 0.043, CFI = 0.936, TLI = 0.921). Normative data for the BHS were generated for both genders and different age levels. Intercorrelations with hopelessness were highest for depression (r = 0.57), followed by anxiety (r = 0.52)., Conclusions: The normative data provide a framework for the interpretation and comparisons of the BHS with other populations. Evidence supports reliability and validity of the three-factor BHS as a measure of hopelessness in the general population.
- Published
- 2017
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29. Preliminary evaluation of Pleurotus ostreatus for the removal of selected pharmaceuticals from hospital wastewater.
- Author
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Palli L, Castellet-Rovira F, Pérez-Trujillo M, Caniani D, Sarrà-Adroguer M, and Gori R
- Subjects
- Atenolol chemistry, Biodegradation, Environmental, Bioreactors, Diclofenac chemistry, Hospitals, Humans, Ketoprofen chemistry, Pleurotus chemistry, Wastewater chemistry, Laccase chemistry, Pleurotus metabolism, Waste Disposal, Fluid, Wastewater microbiology
- Abstract
The fungus Pleurotus ostreatus was investigated to assess its ability to remove diclofenac, ketoprofen, and atenolol spiked at 10 mg/L each one in hospital wastewater. The degradation test was carried out in a fluidized bed bioreactor testing both the batch and the continuous mode (hydraulic retention time in the range 1.63-3 days). In batch mode, diclofenac disappeared in less than 24 h, ketoprofen was degraded up to almost 50% in 5 days while atenolol was not removed. In continuous mode, diclofenac and ketoprofen removals were about 100% and 70% respectively; atenolol degradation was negligible during the first 20 days but it increased up to 60% after a peak of laccase production and notable biomass growth. In order to identify the enzymatic system involved, further experiments were carried out in flasks. Purified laccase completely transformed atenolol and diclofenac in less than 5 h, but not ketoprofen. In vivo experiments suggested that cytochrome P450 could be involved in diclofenac and ketoprofen degradation, while partial correlation studies confirmed the role of laccase in atenolol and diclofenac degradation. Two intermediates of diclofenac and ketoprofen were detected by nuclear magnetic resonance. Moreover P. ostreatus was able to reduce chemical oxygen demand of the hospital wastewater which is an important advantage comparing to other fungi in order to develop a wastewater treatment process. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:1529-1537, 2017., (© 2017 American Institute of Chemical Engineers.)
- Published
- 2017
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30. Direct Monitoring of Exogenous γ-Hydroxybutyric Acid in Body Fluids by NMR Spectroscopy.
- Author
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Palomino-Schätzlein M, Wang Y, Brailsford AD, Parella T, Cowan DA, Legido-Quigley C, and Pérez-Trujillo M
- Subjects
- Adult, Carbon-13 Magnetic Resonance Spectroscopy, Female, Humans, Male, Metabolomics methods, Proton Magnetic Resonance Spectroscopy, Young Adult, Hydroxybutyrates blood, Hydroxybutyrates urine, Substance Abuse Detection methods
- Abstract
γ-Hydroxybutyric acid (GHB) is a popular drug increasingly associated with cases of drug-facilitated sexual assault (DFSA). Currently, expanding procedures of analysis and having forensic evidence of GHB intake in a long term are mandatory. Up to now, most studies have been performed using GC/MS and LC-MS as analytical platforms, which involve significant manipulation of the sample and, often, indirect measurements. In this work, procedures used in NMR-based metabolomics were applied to a GHB clinical trial on urine and serum. Detection, identification, and quantification of the drug by NMR methods were surveyed, as well as the use of NMR-based metabolomics for the search of potential surrogate biomarkers of GHB consumption. Results demonstrated the suitability of NMR spectroscopy, as a robust nondestructive technique, to fast and directly monitor (detect, identify, and quantify) exogenous GHB in almost intact body fluids and its high potential in the search for metabolites associated with GHB intake.
- Published
- 2017
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31. Trehalose Polyphleates, External Cell Wall Lipids in Mycobacterium abscessus , Are Associated with the Formation of Clumps with Cording Morphology, Which Have Been Associated with Virulence.
- Author
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Llorens-Fons M, Pérez-Trujillo M, Julián E, Brambilla C, Alcaide F, Byrd TF, and Luquin M
- Abstract
Mycobacterium abscessus is a reemerging pathogen that causes pulmonary diseases similar to tuberculosis, which is caused by Mycobacterium tuberculosis . When grown in agar medium, M. abscessus strains generate rough (R) or smooth colonies (S). R morphotypes are more virulent than S morphotypes. In searching for the virulence factors responsible for this difference, R morphotypes have been found to form large aggregates (clumps) that, after being phagocytozed, result in macrophage death. Furthermore, the aggregates released to the extracellular space by damaged macrophages grow, forming unphagocytosable structures that resemble cords. In contrast, bacilli of the S morphotype, which do not form aggregates, do not damage macrophages after phagocytosis and do not form cords. Cording has also been related to the virulence of M. tuberculosis . In this species, the presence of mycolic acids and surface-exposed cell wall lipids has been correlated with the formation of cords. The objective of this work was to study the roles of the surface-exposed cell wall lipids and mycolic acids in the formation of cords in M. abscessus . A comparative study of the pattern and structure of mycolic acids was performed on R (cording) and S (non-cording) morphotypes derived from the same parent strains, and no differences were observed between morphotypes. Furthermore, cords formed by R morphotypes were disrupted with petroleum ether (PE), and the extracted lipids were analyzed by thin layer chromatography, nuclear magnetic resonance spectroscopy and mass spectrometry. Substantial amounts of trehalose polyphleates (TPP) were recovered as major lipids from PE extracts, and images obtained by transmission electron microscopy suggested that these lipids are localized to the external surfaces of cords and R bacilli. The structure of M. abscessus TPP was revealed to be similar to those previously described in Mycobacterium smegmatis . Although the exact role of TPP is unknown, our results demonstrated that TPP are not toxic by themselves and have a function in the formation of clumps and cords in M. abscessus , thus playing an important role in the pathogenesis of this species.
- Published
- 2017
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32. Long-term fertilization determines different metabolomic profiles and responses in saplings of three rainforest tree species with different adult canopy position.
- Author
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Gargallo-Garriga A, Wright SJ, Sardans J, Pérez-Trujillo M, Oravec M, Večeřová K, Urban O, Fernández-Martínez M, Parella T, and Peñuelas J
- Subjects
- Magnoliopsida growth & development, Plant Leaves growth & development, Soil chemistry, Species Specificity, Trees growth & development, Tropical Climate, Fertilizers analysis, Magnoliopsida metabolism, Metabolome, Plant Leaves metabolism, Rainforest, Trees metabolism
- Abstract
Background: Tropical rainforests are frequently limited by soil nutrient availability. However, the response of the metabolic phenotypic plasticity of trees to an increase of soil nutrient availabilities is poorly understood. We expected that increases in the ability of a nutrient that limits some plant processes should be detected by corresponding changes in plant metabolome profile related to such processes., Methodology/principal Findings: We studied the foliar metabolome of saplings of three abundant tree species in a 15 year field NPK fertilization experiment in a Panamanian rainforest. The largest differences were among species and explained 75% of overall metabolome variation. The saplings of the large canopy species, Tetragastris panamensis, had the lowest concentrations of all identified amino acids and the highest concentrations of most identified secondary compounds. The saplings of the "mid canopy" species, Alseis blackiana, had the highest concentrations of amino acids coming from the biosynthesis pathways of glycerate-3P, oxaloacetate and α-ketoglutarate, and the saplings of the low canopy species, Heisteria concinna, had the highest concentrations of amino acids coming from the pyruvate synthesis pathways., Conclusions/significance: The changes in metabolome provided strong evidence that different nutrients limit different species in different ways. With increasing P availability, the two canopy species shifted their metabolome towards larger investment in protection mechanisms, whereas with increasing N availability, the sub-canopy species increased its primary metabolism. The results highlighted the proportional distinct use of different nutrients by different species and the resulting different metabolome profiles in this high diversity community are consistent with the ecological niche theory.
- Published
- 2017
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33. Chiral Recognition by Dissolution DNP NMR Spectroscopy of 13 C-Labeled dl-Methionine.
- Author
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Monteagudo E, Virgili A, Parella T, and Pérez-Trujillo M
- Abstract
A method based on d-DNP NMR spectroscopy to study chiral recognition is described for the first time. The enantiodifferentiation of a racemic metabolite in a millimolar aqueous solution using a chiral solvating agent was performed. Hyperpolarized
13 C-labeled dl-methionine enantiomers were differently observed with a single-scan13 C NMR experiment, while the chiral auxiliary at thermal equilibrium remained unobserved. The method developed entails a step forward in the chiral recognition of small molecules by NMR spectroscopy, opening new possibilities in situations where the sensitivity is limited, for example, when a low concentration of analyte is available or when the measurement of an insensitive nucleus, like13 C, is required. The advantages and current limitations of the method, as well as future perspectives, are discussed.- Published
- 2017
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34. Mycobacteria Clumping Increase Their Capacity to Damage Macrophages.
- Author
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Brambilla C, Llorens-Fons M, Julián E, Noguera-Ortega E, Tomàs-Martínez C, Pérez-Trujillo M, Byrd TF, Alcaide F, and Luquin M
- Abstract
The rough morphotypes of non-tuberculous mycobacteria have been associated with the most severe illnesses in humans. This idea is consistent with the fact that Mycobacterium tuberculosis presents a stable rough morphotype. Unlike smooth morphotypes, the bacilli of rough morphotypes grow close together, leaving no spaces among them and forming large aggregates (clumps). Currently, the initial interaction of macrophages with clumps remains unclear. Thus, we infected J774 macrophages with bacterial suspensions of rough morphotypes of M. abscessus containing clumps and suspensions of smooth morphotypes, primarily containing isolated bacilli. Using confocal laser scanning microscopy and electron microscopy, we observed clumps of at least five rough-morphotype bacilli inside the phagocytic vesicles of macrophages at 3 h post-infection. These clumps grew within the phagocytic vesicles, killing 100% of the macrophages at 72 h post-infection, whereas the proliferation of macrophages infected with smooth morphotypes remained unaltered at 96 h post-infection. Thus, macrophages phagocytose large clumps, exceeding the bactericidal capacities of these cells. Furthermore, proinflammatory cytokines and granuloma-like structures were only produced by macrophages infected with rough morphotypes. Thus, the present study provides a foundation for further studies that consider mycobacterial clumps as virulence factors.
- Published
- 2016
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35. Data on the identification and characterization of by-products from N-Cbz-3-aminopropanal and t-BuOOH/H2O2 chemical reaction in chloroperoxidase-catalyzed oxidations.
- Author
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Masdeu G, Pérez-Trujillo M, López-Santín J, and Álvaro G
- Abstract
This data article is related to the subject of a publication in Process Biochemistry, entitled "Chloroperoxidase-catalyzed amino alcohol oxidation: Substrate specificity and novel strategy for the synthesis of N-Cbz-3-aminopropanal" (Masdeu et al., 2016) [1]. Here, the products of the chemical reaction involving the amino aldehyde (N-Cbz-3-aminopropanal) and peroxides (tert-butyl hydroperoxide and H2O2) are characterized by NMR. (1)H and (13)C NMR full characterization of the products was obtained based on 2D NMR, 1D selective NOESY and diffusion spectroscopy (DOSY) experiments.
- Published
- 2016
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36. Shifts in plant foliar and floral metabolomes in response to the suppression of the associated microbiota.
- Author
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Gargallo-Garriga A, Sardans J, Pérez-Trujillo M, Guenther A, Llusià J, Rico L, Terradas J, Farré-Armengol G, Filella I, Parella T, and Peñuelas J
- Subjects
- Anti-Bacterial Agents pharmacology, Bacteria drug effects, Bacteria growth & development, Chloramphenicol pharmacology, Chromatography, Liquid, Flowers drug effects, Flowers microbiology, Host-Pathogen Interactions drug effects, Mass Spectrometry, Metabolome drug effects, Metabolomics methods, Microbiota drug effects, Multivariate Analysis, Oxytetracycline pharmacology, Plant Leaves drug effects, Plant Leaves microbiology, Principal Component Analysis, Sambucus nigra drug effects, Sambucus nigra metabolism, Sambucus nigra microbiology, Streptomycin pharmacology, Symbiosis drug effects, Flowers metabolism, Metabolome physiology, Microbiota physiology, Plant Leaves metabolism
- Abstract
Background: The phyllospheric microbiota is assumed to play a key role in the metabolism of host plants. Its role in determining the epiphytic and internal plant metabolome, however, remains to be investigated. We analyzed the Liquid Chromatography-Mass Spectrometry (LC-MS) profiles of the epiphytic and internal metabolomes of the leaves and flowers of Sambucus nigra with and without external antibiotic treatment application., Results: The epiphytic metabolism showed a degree of complexity similar to that of the plant organs. The suppression of microbial communities by topical applications of antibiotics had a greater impact on the epiphytic metabolome than on the internal metabolomes of the plant organs, although even the latter changed significantly both in leaves and flowers. The application of antibiotics decreased the concentration of lactate in both epiphytic and organ metabolomes, and the concentrations of citraconic acid, acetyl-CoA, isoleucine, and several secondary compounds such as terpenes and phenols in the epiphytic extracts. The metabolite pyrogallol appeared in the floral epiphytic community only after the treatment. The concentrations of the amino acid precursors of the ketoglutarate-synthesis pathway tended to decrease in the leaves and to increase in the foliar epiphytic extracts., Conclusions: These results suggest that anaerobic and/or facultative anaerobic bacteria were present in high numbers in the phyllosphere and in the apoplasts of S. nigra. The results also show that microbial communities play a significant role in the metabolomes of plant organs and could have more complex and frequent mutualistic, saprophytic, and/or parasitic relationships with internal plant metabolism than currently assumed.
- Published
- 2016
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37. Warming differentially influences the effects of drought on stoichiometry and metabolomics in shoots and roots.
- Author
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Gargallo-Garriga A, Sardans J, Pérez-Trujillo M, Oravec M, Urban O, Jentsch A, Kreyling J, Beierkuhnlein C, Parella T, and Peñuelas J
- Subjects
- Discriminant Analysis, Elements, Least-Squares Analysis, Metabolome, Principal Component Analysis, Seasons, Species Specificity, Droughts, Holcus metabolism, Hot Temperature, Metabolomics, Plant Roots metabolism, Plant Shoots metabolism, Poaceae metabolism
- Abstract
Plants in natural environments are increasingly being subjected to a combination of abiotic stresses, such as drought and warming, in many regions. The effects of each stress and the combination of stresses on the functioning of shoots and roots have been studied extensively, but little is known about the simultaneous metabolome responses of the different organs of the plant to different stresses acting at once. We studied the shift in metabolism and elemental composition of shoots and roots of two perennial grasses, Holcus lanatus and Alopecurus pratensis, in response to simultaneous drought and warming. These species responded differently to individual and simultaneous stresses. These responses were even opposite in roots and shoots. In plants exposed to simultaneous drought and warming, terpenes, catechin and indole acetic acid accumulated in shoots, whereas amino acids, quinic acid, nitrogenous bases, the osmoprotectants choline and glycine betaine, and elements involved in growth (nitrogen, phosphorus and potassium) accumulated in roots. Under drought, warming further increased the allocation of primary metabolic activity to roots and changed the composition of secondary metabolites in shoots. These results highlight the plasticity of plant metabolomes and stoichiometry, and the different complementary responses of shoots and roots to complex environmental conditions., (© 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.)
- Published
- 2015
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38. NMR-aided differentiation of enantiomers: Signal enantioresolution.
- Author
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Pérez-Trujillo M, Parella T, and Kuhn LT
- Subjects
- Algorithms, Stereoisomerism, Magnetic Resonance Spectroscopy methods
- Abstract
NMR-aided enantiodiscrimination using chiral auxiliaries (CAs) is a recognized method for differentiating enantiomers and for measuring enantiomeric ratios (er). Up to the present, the study, optimization, and comparison of such methods have been performed based on the enantiodifferentiation of NMR signals via analyzing non-equivalent chemical-shift values (ΔΔδ) of the diastereoisomeric species formed. However, a poor and non-reliable comparison of results is often obtained via the analysis of ΔΔδ exclusively. In here, the concept of enantioresolution of an individual NMR signal and its importance for NMR-aided enantiodifferentiation studies is introduced and discussed. In addition, the enantioresolution quotient, E, is proposed as the parameter to describe its quantification. Complementary to measuring ΔΔδ, the experimental determination of E allows a more reliable interpretation of the results and opens up new possibilities for the study of enantiodifferentiation data derived from novel NMR experiments, setup improvements or new CAs. Finally, the different relationships between signal enantiodifferentiation, signal enantioresolution, and other main experimental issues of enantiodifferentiation experiments are addressed., (Copyright © 2015 Elsevier B.V. All rights reserved.)
- Published
- 2015
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39. Diversity of pyrrolizidine alkaloids in native and invasive Senecio pterophorus (Asteraceae): implications for toxicity.
- Author
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Castells E, Mulder PP, and Pérez-Trujillo M
- Subjects
- Australia, Ecosystem, Europe, Herbivory, Molecular Structure, Pyrrolizidine Alkaloids pharmacology, Senecio chemistry, South Africa, Pyrrolizidine Alkaloids analysis, Pyrrolizidine Alkaloids chemistry, Senecio growth & development
- Abstract
Changes in plant chemical defenses after invasion could have consequences on the invaded ecosystems by modifying the interactions between plants and herbivores and facilitating invasion success. However, no comprehensive biogeographical studies have yet determined the phenotypic levels of plant chemical defenses, as consumed by local herbivores, covering large distributional areas of a species. Senecio pterophorus is a perennial shrub native to Eastern South Africa, expanded into Western South Africa and introduced into Australia and Europe. As other Asteraceae, S. pterophorus contains pyrrolizidine alkaloids (PAs) toxic to vertebrate and invertebrate herbivores. Here we analyzed S. pterophorus PAs by LC-MS/MS on foliage sampled across its entire distributional range, including the native and all non-native areas. PA concentrations and diversity was very high: we found 57 compounds belonging to 6 distinct necine base-types, including the highly toxic 1,2-unsaturated PAs (retronecine and otonecines) and the less toxic 1,2-saturated PAs (platynecine and rosmarinecines). Plants from different origins diverged in their PA absolute and relative concentrations. Rosmarinine was the most abundant compound in Australia and South Africa, but it was nearly absent in Europe. We characterized three plant chemotypes: retrorsine-senkirkine chemotype in Eastern South Africa, rosmarinine chemotype in Australia and Western South Africa, and acetylseneciphylline chemotype in Europe. PA absolute concentrations were highest in Australia. The increased absolute and relative concentrations of retronecine PAs from Australia and Europe, respectively, indicate that S. pterophorus is potentially more toxic in the invasive range than in the native range., (Copyright © 2014 Elsevier Ltd. All rights reserved.)
- Published
- 2014
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40. Opposite metabolic responses of shoots and roots to drought.
- Author
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Gargallo-Garriga A, Sardans J, Pérez-Trujillo M, Rivas-Ubach A, Oravec M, Vecerova K, Urban O, Jentsch A, Kreyling J, Beierkuhnlein C, Parella T, and Peñuelas J
- Subjects
- Cluster Analysis, Seasons, Droughts, Metabolome, Metabolomics methods, Plant Roots metabolism, Plant Shoots metabolism, Stress, Physiological
- Abstract
Shoots and roots are autotrophic and heterotrophic organs of plants with different physiological functions. Do they have different metabolomes? Do their metabolisms respond differently to environmental changes such as drought? We used metabolomics and elemental analyses to answer these questions. First, we show that shoots and roots have different metabolomes and nutrient and elemental stoichiometries. Second, we show that the shoot metabolome is much more variable among species and seasons than is the root metabolome. Third, we show that the metabolic response of shoots to drought contrasts with that of roots; shoots decrease their growth metabolism (lower concentrations of sugars, amino acids, nucleosides, N, P, and K), and roots increase it in a mirrored response. Shoots are metabolically deactivated during drought to reduce the consumption of water and nutrients, whereas roots are metabolically activated to enhance the uptake of water and nutrients, together buffering the effects of drought, at least at the short term.
- Published
- 2014
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41. Simultaneous (1)H and (13)C NMR enantiodifferentiation from highly-resolved pure shift HSQC spectra.
- Author
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Pérez-Trujillo M, Castañar L, Monteagudo E, Kuhn LT, Nolis P, Virgili A, Williamson RT, and Parella T
- Subjects
- Carbon Isotopes chemistry, Magnetic Resonance Spectroscopy methods, Protons
- Abstract
NMR enantiodifferentiation studies are greatly improved by the simultaneous determination of (1)H and (13)C chemical shift differences through the analysis of highly resolved cross-peaks in spectral aliased pure shift (SAPS) HSQC spectra.
- Published
- 2014
- Full Text
- View/download PDF
42. Drought enhances folivory by shifting foliar metabolomes in Quercus ilex trees.
- Author
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Rivas-Ubach A, Gargallo-Garriga A, Sardans J, Oravec M, Mateu-Castell L, Pérez-Trujillo M, Parella T, Ogaya R, Urban O, and Peñuelas J
- Subjects
- Amino Acids metabolism, Carbohydrate Metabolism, Discriminant Analysis, Least-Squares Analysis, Metabolomics, Models, Biological, Polyphenols metabolism, Principal Component Analysis, Seasons, Spain, Droughts, Herbivory physiology, Metabolome, Plant Leaves metabolism, Quercus physiology, Trees physiology
- Abstract
At the molecular level, folivory activity on plants has mainly been related to the foliar concentrations of nitrogen (N) and/or particular metabolites. We studied the responses of different nutrients and the whole metabolome of Quercus ilex to seasonal changes and to moderate field experimental conditions of drought, and how this drought may affect folivory activity, using stoichiometric and metabolomic techniques. Foliar potassium (K) concentrations increased in summer and consequently led to higher foliar K : phosphorus (P) and lower carbon (C) : K and N : K ratios. Foliar N : P ratios were not lowest in spring as expected by the growth rate hypothesis. Trees exposed to moderate drought presented higher concentrations of total sugars and phenolics and these trees also experienced more severe folivory attack. The foliar increases in K, sugars and antioxidant concentrations in summer, the driest Mediterranean season, indicated enhanced osmoprotection under natural drought conditions. Trees under moderate drought also presented higher concentrations of sugars and phenolics; a plant response to avoid water loss. These shifts in metabolism produced an indirect relationship between increased drought and folivory activity., (© 2014 The Authors. New Phytologist © 2014 New Phytologist Trust.)
- Published
- 2014
- Full Text
- View/download PDF
43. Enantiodifferentiation through frequency-selective pure-shift (1)H nuclear magnetic resonance spectroscopy.
- Author
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Castañar L, Pérez-Trujillo M, Nolis P, Monteagudo E, Virgili A, and Parella T
- Abstract
A frequency-selective 1D (1) H nuclear magnetic resonance (NMR) experiment for the fast and sensitive determination of chemical-shift differences between overlapped resonances is proposed. The resulting fully homodecoupled (1) H NMR resonances appear as resolved 1D singlets without their typical J(HH) coupling constant multiplet structures. The high signal dispersion that is achieved is then exploited in enantiodiscrimination studies by using chiral solvating agents., (© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)
- Published
- 2014
- Full Text
- View/download PDF
44. 13C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents.
- Author
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Pérez-Trujillo M, Monteagudo E, and Parella T
- Subjects
- Solutions, Stereoisomerism, Carbon Radioisotopes, Heterocyclic Compounds analysis, Heterocyclic Compounds chemistry, Magnetic Resonance Spectroscopy methods, Solvents chemistry
- Abstract
The utility of (13)C NMR spectroscopy for the differentiation of enantiomers using chiral solvating agents (CSA) is stated. Three examples involving the enantiodifferentiation of a drug, a metabolite and a reactant in aqueous and organic solutions have been chosen to show it. The intrinsic high dispersion of (13)C nucleus, as well as the singlet nature of the signals in standard experiments makes (13)C NMR experiments a powerful alternative or complement to (1)H NMR experiments; specially, when studying pure compounds with complex proton spectra or mixtures of compounds, as in chiral metabonomics, where severe overlapping exists in proton spectrum. To evaluate and compare the quality of the enantioresolution of a NMR signal we introduce the enantiodifferentiation quotient, E, that considers the complexity of (1)H multiplets (and in general the width) of the original signal. It has been observed that the error in the measurement of the enantiomeric molar ratio can be related to the E value. The sensitivity and experimental time of a wide range of chiral analyte concentrations were also assessed.
- Published
- 2013
- Full Text
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45. Cyclopropanation of α-mycolic acids is not required for cording in Mycobacterium brumae and Mycobacterium fallax.
- Author
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Brambilla C, Sánchez-Chardi A, Pérez-Trujillo M, Julián E, and Luquin M
- Subjects
- Cyclopropanes chemistry, Magnetic Resonance Spectroscopy, Molecular Structure, Mycobacterium chemistry, Cyclopropanes metabolism, Mycobacterium growth & development, Mycobacterium metabolism, Mycolic Acids chemistry, Mycolic Acids metabolism
- Abstract
The capacity to form microscopic cords (cording) of Mycobacterium species has been related to their virulence. The compounds responsible for cording are unknown, but a recent study has shown that cording could be related to the fine structure of α-mycolic acids. This investigation attributes the need for a proximal cyclopropane in α-mycolic acids for cording in Mycobacterium tuberculosis and Mycobacterium bovis BCG and proposes cyclopropanases as good targets for new chemotherapeutic agents. As other Mycobacterium species in addition to M. tuberculosis and M. bovis form microscopic cords, it would be of major interest to know whether the relationship between proximal cyclopropanation of α-mycolic acids and cording could be extended to non-tuberculous mycobacteria. In this study, we have examined the correlation between the cording and cyclopropanation of α-mycolic acids in two species, Mycobacterium brumae and Mycobacterium fallax. Scanning electron microscopy images showed, for the first time to our knowledge, the fine structure of microscopic cords of M. brumae and M. fallax, confirming that these two species form true cords. Furthermore, NMR analysis performed on the same cording cultures corroborates the absence of cyclopropane rings in their α-mycolic acids. Therefore, we can conclude that the correlation between cording and cyclopropanation of α-mycolic acids cannot be extended to all mycobacteria. As M. brumae and M. fallax grow rapidly and have a simple pattern of mycolic acids (only α-unsaturated mycolic acids), we propose these two species as suitable models for the study of the role of mycolic acids in cording.
- Published
- 2012
- Full Text
- View/download PDF
46. Chiral metabonomics: 1H NMR-based enantiospecific differentiation of metabolites in human urine via direct cosolvation with β-cyclodextrin.
- Author
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Pérez-Trujillo M, Lindon JC, Parella T, Keun HC, Nicholson JK, and Athersuch TJ
- Subjects
- Anti-Inflammatory Agents, Non-Steroidal chemistry, Anti-Inflammatory Agents, Non-Steroidal metabolism, Humans, Ibuprofen chemistry, Ibuprofen metabolism, Magnetic Resonance Spectroscopy economics, Metabolomics economics, Stereoisomerism, Time Factors, Anti-Inflammatory Agents, Non-Steroidal urine, Ibuprofen urine, Magnetic Resonance Spectroscopy methods, Metabolomics methods, beta-Cyclodextrins chemistry
- Abstract
Differences in molecular chirality remain an important issue in drug metabolism and pharmacokinetics for the pharmaceutical industry and regulatory authorities, and chirality is an important feature of many endogenous metabolites. We present a method for the rapid, direct differentiation and identification of chiral drug enantiomers in human urine without pretreatment of any kind. Using the well-known anti-inflammatory chemical ibuprofen as one example, we demonstrate that the enantiomers of ibuprofen and the diastereoisomers of one of its main metabolites, the glucuronidated carboxylate derivative, can be resolved by (1)H NMR spectroscopy as a consequence of direct addition of the chiral cosolvating agent (CSA) β-cyclodextrin (βCD). This approach is simple, rapid, and robust, involves minimal sample manipulation, and does not require derivatization or purification of the sample. In addition, the method should allow the enantiodifferentiation of endogenous chiral metabolites, and this has potential value for differentiating metabolites from mammalian and microbial sources in biofluids. From these initial findings, we propose that more extensive and detailed enantiospecific metabolic profiling could be possible using CSA-NMR spectroscopy than has been previously reported.
- Published
- 2012
- Full Text
- View/download PDF
47. Strong relationship between elemental stoichiometry and metabolome in plants.
- Author
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Rivas-Ubach A, Sardans J, Pérez-Trujillo M, Estiarte M, and Peñuelas J
- Subjects
- Magnetic Resonance Spectroscopy, Metabolomics, Plant Leaves metabolism, Principal Component Analysis, Seasons, Elements, Ericaceae metabolism, Metabolome
- Abstract
Shifts in the elemental stoichiometry of organisms in response to their ontogeny and to changing environmental conditions should be related to metabolomic changes because elements operate mostly as parts of molecular compounds. Here we show this relationship in leaves of Erica multiflora throughout their seasonal development and in response to moderate experimental field conditions of drought and warming. The N/P ratio in leaves decreased in the metabolically active growing seasons, coinciding with an increase in the content of primary metabolites. These results support the growth-rate hypothesis that states that rapidly growing organisms present low N/P ratios because of the increase in allocation of P to RNA. The foliar N/K and P/K ratios were lower in summer and in the drought treatment, in accordance with the role of K in osmotic protection, and coincided with the increase of compounds related to the avoidance of water stress. These results provide strong evidence of the relationship between the changes in foliar C/N/P/K stoichiometry and the changes in the leaf's metabolome during plant growth and environmental stress. Thus these results represent a step in understanding the relationships between stoichiometry and an organism's lifestyle.
- Published
- 2012
- Full Text
- View/download PDF
48. Revisited mycolic acid pattern of Mycobacterium confluentis using thin-layer chromatography.
- Author
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Secanella-Fandos S, Luquin M, Pérez-Trujillo M, and Julián E
- Subjects
- Magnetic Resonance Spectroscopy, Mycobacterium metabolism, Mycolic Acids chemistry, Mycolic Acids metabolism, Species Specificity, Chromatography, Thin Layer methods, Mycobacterium chemistry, Mycolic Acids isolation & purification
- Abstract
The profile of mycolic acids from Mycobacterium confluentis has not been adequately published. However, the definition of the composition of mycolic acids is a critical element for describing new mycobacterial species. Thus, an erroneously published profile can lead to confusing citations. The aim of this article is to make the protocols clear, by using thin layer chromatography as a tool, for defining the discrete pattern of mycolic acids of any newly reported mycobacterial species. By using this method, and corroborated using nuclear magnetic resonance analysis, we demonstrated that M. confluentis contains α-mycolates (type I) and epoxymycolates (type V mycolic acids)., (Copyright © 2011 Elsevier B.V. All rights reserved.)
- Published
- 2011
- Full Text
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49. Separation and identification of phenolic compounds of extra virgin olive oil from Olea europaea L. by HPLC-DAD-SPE-NMR/MS. Identification of a new diastereoisomer of the aldehydic form of oleuropein aglycone.
- Author
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Pérez-Trujillo M, Gómez-Caravaca AM, Segura-Carretero A, Fernández-Gutiérrez A, and Parella T
- Subjects
- Chromatography, High Pressure Liquid, Iridoid Glucosides, Iridoids, Magnetic Resonance Spectroscopy, Mass Spectrometry, Olive Oil, Phenols chemistry, Solid Phase Extraction, Aldehydes chemistry, Olea chemistry, Phenols isolation & purification, Plant Oils chemistry, Pyrans chemistry
- Abstract
The phenolic fraction of a monovarietal extra virgin olive oil (EVOO) from Olea europaea L. var. Cornezuelo was studied by the hyphenated HPLC-DAD-SPE-NMR/MS techniques. This survey led to the identification of 25 main compounds. One was identified as a new diastereoisomer of the aldehydic form of oleuropein aglycone (AOA) and characterized by 1D and 2D NMR techniques. The relative configuration of this new AOA was determined as 5R*,8S*,9S* on the basis of the results obtained from the combination of NOE experiments and Monte Carlo conformational search calculations. Assuming, as for the described diastereoisomers, that the new AOA comes from the natural oleuropein aglycone (OA), the absolute configuration was proposed as 5S,8R,9R.
- Published
- 2010
- Full Text
- View/download PDF
50. Degradation of the drug sodium diclofenac by Trametes versicolor pellets and identification of some intermediates by NMR.
- Author
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Marco-Urrea E, Pérez-Trujillo M, Cruz-Morató C, Caminal G, and Vicent T
- Subjects
- Anti-Inflammatory Agents, Non-Steroidal metabolism, Cytochrome P-450 Enzyme System metabolism, Diclofenac analogs & derivatives, Diclofenac analysis, Hydroxylation, Laccase metabolism, Magnetic Resonance Spectroscopy, Biodegradation, Environmental, Diclofenac metabolism, Trametes metabolism
- Abstract
Degradation of diclofenac sodium, a nonsteroidal anti-inflammatory drug widely found in the aquatic environment, was assessed using the white-rot fungus Trametes versicolor. Almost complete diclofenac removal (> or = 94%) occurred the first hour with T. versicolor pellets when the drug was added at relatively high (10 mg L(-1)) and environmentally relevant low (45 microg L(-1)) concentrations in a defined liquid medium. In vivo and in vitro experiments using the cytochrome P450 inhibitor 1-aminobenzotriazole and purified laccase, respectively, suggested at least two different mechanisms employed by T. versicolor to initiate diclofenac degradation. Two hydroxylated metabolites, 4'-hydroxydiclofenac and 5-hydroxydiclofenac, were structurally elucidated by nuclear magnetic resonance as degradation intermediates in fungal cultures spiked with diclofenac. Both parent compound and intermediates disappeared after 24 h leading to a decrease in ecotoxicity calculated by the Microtox test. Laccase-catalyzed transformation of diclofenac led to the formation of 4-(2,6-dichlorophenylamino)-1,3-benzenedimethanol, which was not detected in in vivo experiments probably due to the low laccase activity levels observed through the first hours of incubation., (2009 Elsevier B.V. All rights reserved.)
- Published
- 2010
- Full Text
- View/download PDF
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