Specifications Table br Data The data set

Specifications Table
Data The data set used in the study involves the experimental results indicating the inducible effects of exogenous exposure of salicylic Avasimibe cost and methyljasmonate on the three NMT transcripts. The data also supplements the study describing the ability of salicylic acid and methyljasmonate in overcoming the maturation-triggered repression of NMT genes during early dry weight accumulation stage [1] of the coffee endosperms (Fig. 1). The involvement of ABA and ethylene pathways during mid to late maturation of fruits (CC5 stage) is anticipated from analysis of the published literature [5,6]. There occurs a possibility that ethylene [3,6] and even ABA [4] might correlate or be associated with the down regulation of NMT genes. Moreover, salicylic acid and methyljasmonate are known to cause inducible expression of NMTs in plants other than coffee [2,3]. Thus, caffeine biosynthesis by virtue of transcriptional regulation of the N-methyltransferases involved in the biosynthesis can be regulated by multiple plant hormone pathways like salicylic acid, methyljasmonate, ethylene and possibly even abscisic acid. The study of exogenous stimulation of salicylic acid on maturing endosperm undergoing natural repression of NMTs involved in the core caffeine biosynthetic pathway was carried out in a mid-developmental stage under different dosages and treatment time regimes. The observed changes in the contents of the biosynthetic precursors, 7-methylxanthine, theobromine and caffeine and the degradation product theophylline was interpreted to imply the role of salicylic acid and methyljasmonate (Fig. 2, Fig.3).
Experimental design, materials and methods
Acknowledgements Avinash Kumar thanks Council of Scientific and Industrial Research, New Delhi, India for research fellowships (CSIR-CFTRI-RF-0217). The work was carried out by grants from Department of Science and Technology, Government of India (SERB/SR/SO/PS/20/2012).
Data The data presented in Section 1.1 include gas chromatography-mass spectrometry (GC–MS) chromatograms and respective GC–MS spectra of silylated methanolysis products obtained from phenolic compounds standards such as 4-hydroxycinnamic, ferulic and veratric acids (Fig. 1), 5-O-caffeoylquinic acid (Fig. 2), hesperidin (Fig. 3), naringin (Fig. 4), and ellagic acid (Fig. 5). In Section 1.2 are presented data on the chemical composition of Arabica and Robusta coffee beans, including chlorogenic acid composition (Table 1), simple sugars, caffeine, and protein contents (Table 2) and total sugar composition (Table 3), but also the chromatic properties of respective coffee powders (Table 4). Moreover, data on the chemical composition of high molecular weight materials (HMWMs) isolated from roasted Arabica and Robusta coffee infusions are presented in Subsection 1.2 in Tables 5 and 6. The latter includes the phenolic compounds and quinic acid released by methanolysis from coffee HMWMs. The data presented in Section 1.3 include the mass losses observed after roasting of model mixtures prepared using commercial standards of coffee related carbohydrates, phenolic compounds and peptides (Table 7). The commercial standards used as models of coffee bean components were as follow: (β1→4)-d-mannotriose (Man3), an oligosaccharide structurally related to the backbone of coffee galactomannans; 5-O-caffeoylquinic acid (5-CQA), the most abundant phenolic compound in green coffee beans; and dipeptides composed by tyrosine (Y) and leucine (L), used as models of coffee proteins. Additionally, malic acid (MalA) and citric acid (CitA), the most abundant aliphatic acids present in green coffee beans, were also used. In Subsection 1.3 are also presented electrospray mass spectrometry (ESI-MS) data obtained from the model mixtures, either by direct infusion of the sample into the mass spectrometer, or online coupling to liquid chromatography (LC). Fig. 6 shows LC-MS reconstructed ion chromatograms (RICs) acquired from the roasted mixture Man3-CQA-YL. Table 8 contains the detailed identification of all the ions observed by LC-MS analysis of roasted Man3 and mixtures Man3-CQA-YL, Man3-CQA, Man3-YL, and Man3-LY. In Table 9 are presented the accurate masses obtained from high resolution and high mass accuracy measurements using a LTQ-Orbitrap mass spectrometer for the ions identified after roasting of the mixture Man3-CQA. Tables 10 and 11 summarize the ions identified by ESI-MS analysis of the roasted mixtures Man3-MalA and Man3-CitA, respectively. In Table 12 the accurate masses found by LTQ-Orbitrap for the ions identified after roasting of the mixture Man3-YL are presented. Table 13 provides data on the LC-MS2 fragmentation of roasting-induced compounds formed from the mixture Man3-YL.