ional (2D) proton (1H) NMR analysis and on the information of amino acid and catechin compound profiles

by HPLC analysis in leaf extracts of various tea

cultivars. These data are related to the research article “Metabolic phenotyping of various tea (Camellia sinensis L.) cultivars and understanding of their intrinsic
m

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11. Received 7 December 2016

Received in revised form 22 March 2017 Accepted 13 April 2017
Available online 24 April 2017

12. Keywords:

13. The data include the structural elucidation of epigallocatechin-3-O-(3-O-methyl)-gallate (EGCG3′′Me) in EGCG3′′Me-rich tea
cultivar by two-dimensional (2D) total correlation spectroscopy (TOCSY) NMR experiment and by the spiking experiment of its
1
pure chemical in H NMR spectrum (Fig. 1) and the profiles of amino acid and catechin-related compound in various tea
cultivars by HPLC analysis (Table 1 and 2).
14. min. After cooling to room temperature, 1 μL of the mixture was injected and separated through the AccQ-Tag ultra column (1.7
μm, 2.1×100 mm, Waters) coupled with PDA detector (UV 260 nm). The separation was performed at 60 °C and for 12 min with
the gradient elution, and the flow rate was 0.7 mL/min. The gradient elution (AccQ-Tag ultra eluent A concentrate, solvent A;
AccQ-Tag ultra eluent B, solvent B) used was conducted with the filtering and diluting procedure. The gradient conditions were
as follows: 0–0.54 min, 99.9% A-0.1% B; 4.75 min, 93.5% A-6.5% B; 7.74–8.5 min,82.5% A-17.5%; 8.7 min, 40.4% A-59.6%
B; 8.9–10 min, 99.9% A-0.1% B. With the tea leaf extract, chromato- graphic analysis for standard chemical such as catechins
and amino acids was carried out. The con- centration of the chemical in the tea leaf extract was calculated from the calibration
curve of the standard chemical integral area.
15. Transparency document. Supplementary material
16. Transparency document associated with this article can be found in the online version at http://dx.
doi.org/10.1016/j.dib.2017.08.007.
17. References
18. [1] H.G. Ji, Y.R. Lee, M.S. Lee, K.H. Hwang, E.H. Kim, J.S. Park, Y.S. Hong, Metabolic phenotyping of various tea (Camellia sinensis L.)
cultivars and understanding of their intrinsic metabolism, Food Chem. 233 (2017) 321–330.
19. [2] Waters Millipore Corporation, Waters AccQ.Tag Chemistry Package, Instruction Manual, USA, 1993.
20. Bruker automatic injector. One-dimensional (1D) nuclear Overhauser effect spectrometry (NOESY) pulse sequence with water
presaturation was applied for acquisition of the 1D NMR spectrum of the tea extract. Signal assignment of representative
samples was facilitated by two-dimensional (2D) total correlation spectroscopy (TOCSY), heteronuclear single-quantum
correlation (HSQC), and spiking experiments with corresponding standard chemicals.
21. 2.4. Measurement of total phenolics
22. The total phenolic compounds were measured using the Folin- Ciocalteu (Singleton & Rossi, 1965) method with some modifica-
tion. Freeze-dried tea powder (20 mg) was dissolved in 70% metha- nol (1 mL) in a 1.5 mL Eppendorf tube. The mixture was
sonicated at room temperature for 15 min, and centrifuged at 13,000 rpm and 20 C for 10 min. The extracted supernatants were
diluted with 70% methanol for further analyses in the present study. Fifty microliters of leaf extract was mixed with 450 mL o