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1.
Anal Chem ; 92(20): 13677-13682, 2020 10 20.
Artículo en Inglés | MEDLINE | ID: mdl-32930575

RESUMEN

MRMkit is an open-source software package designed for automated processing of large-scale targeted mass spectrometry-based metabolomics data. With improvements in the automation of sample preparation for LC-MS analysis, a challenging next step is to fully automate the workflow to process raw data and ensure the quality of measurements in large-scale analysis settings. MRMkit capitalizes on the richness of large-sample data in capturing peak shapes and interference patterns of transitions across many samples and delivers fully automated, reproducible peak integration results in a scalable and time-efficient manner. In addition to fast and accurate peak integration, the tool also provides reliable data normalization functions and quality metrics along with visualizations for fast data quality evaluation. In addition, MRMkit learns retention time offset patterns by user-specified compound classes and makes recommendations for peak picking in multimodal ion chromatograms. In summary, MRMkit offers highly consistent and scalable data processing capacity for targeted metabolomics, substantially curtailing the time required to produce the final quantification results after LC-MS analysis.


Asunto(s)
Metabolómica/métodos , Interfaz Usuario-Computador , Automatización , Cromatografía Líquida de Alta Presión , Espectrometría de Masas , Procesamiento de Señales Asistido por Computador
2.
Plant Cell ; 25(5): 1840-54, 2013 May.
Artículo en Inglés | MEDLINE | ID: mdl-23723325

RESUMEN

Accumulation of anthocyanins in the exocarp of red grapevine (Vitis vinifera) cultivars is one of several events that characterize the onset of grape berry ripening (véraison). Despite our thorough understanding of anthocyanin biosynthesis and regulation, little is known about the molecular aspects of their transport. The participation of ATP binding cassette (ABC) proteins in vacuolar anthocyanin transport has long been a matter of debate. Here, we present biochemical evidence that an ABC protein, ABCC1, localizes to the tonoplast and is involved in the transport of glucosylated anthocyanidins. ABCC1 is expressed in the exocarp throughout berry development and ripening, with a significant increase at véraison (i.e., the onset of ripening). Transport experiments using microsomes isolated from ABCC1-expressing yeast cells showed that ABCC1 transports malvidin 3-O-glucoside. The transport strictly depends on the presence of GSH, which is cotransported with the anthocyanins and is sensitive to inhibitors of ABC proteins. By exposing anthocyanin-producing grapevine root cultures to buthionine sulphoximine, which reduced GSH levels, a decrease in anthocyanin concentration is observed. In conclusion, we provide evidence that ABCC1 acts as an anthocyanin transporter that depends on GSH without the formation of an anthocyanin-GSH conjugate.


Asunto(s)
Antocianinas/metabolismo , Frutas/metabolismo , Glucósidos/metabolismo , Proteínas Asociadas a Resistencia a Múltiples Medicamentos/metabolismo , Proteínas de Plantas/metabolismo , Vitis/metabolismo , Secuencia de Aminoácidos , Antocianinas/química , Transporte Biológico , Clonación Molecular , ADN Complementario/química , ADN Complementario/genética , Frutas/genética , Frutas/crecimiento & desarrollo , Regulación del Desarrollo de la Expresión Génica , Regulación de la Expresión Génica de las Plantas , Glucósidos/química , Glutatión/metabolismo , Membranas Intracelulares/metabolismo , Datos de Secuencia Molecular , Estructura Molecular , Proteínas Asociadas a Resistencia a Múltiples Medicamentos/clasificación , Proteínas Asociadas a Resistencia a Múltiples Medicamentos/genética , Filogenia , Proteínas de Plantas/genética , Reacción en Cadena de la Polimerasa de Transcriptasa Inversa , Análisis de Secuencia de ADN , Homología de Secuencia de Aminoácido , Vacuolas/metabolismo , Vitis/genética , Vitis/crecimiento & desarrollo
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