Electrospray mass spectra (ES) were recorded in CH3CN or MeOH using a VG platform quadrupole spectrometer.
Resin was sequentially extracted with PE, CH2Cl2 and MeOH using a Soxhlet apparatus.
Finely ground samples (200 gm) were extracted sequentially with petroleum ether (PE), dichloromethane (CH2Cl2) and methanol (MeOH) using a soxhlet assembly for 12 h for each solvent.
Plants were dried in an oven at 30-60°C 30-60°Cund (1 mm) using andaby hippo hammer mill (A Collins & Son Pty. Ltd).. ground plant material (20 g) was extracted with either EtOAc or MeOH using a Buchi Accelerated Speed Extractor E916.
Dried stems (100 g) were also successively extracted by cyclohexane (C6H12), dichloromethane (CH2Cl2) and methanol (MeOH) using an automatisable Soxtec (Avanti 2055), to yield C6H12 (1.0 g), CH2Cl2 (1.0 g), and MeOH (5.8 g) extracts, respectively.
× 250 mm; Nagara Science, Gifu, Japan), and 10 fractions were eluted stepwise with methanol (MeOH /hydrogen peroxide (H2O2 17:83) or with MeOH using an HPLC system equipped with a PU-2087 pumparative pump (JASCO, Tokyo, Japan).
Further NMR parameters are in Additional file 1. ECD spectrum was collected in MeOH using an Olis DSM 20 CD spectrophotometer and optical rotations were obtained on a Rudolph AUTOPOL IV polarimeter at wavelengths of 365, 405, 436, 546, 589, and 633 nm using a 1.0 dm cell.
The samples were then pre-concentrated on the loading column (BetaBasic 20 × 2.1 mm, 5 µm particle size in DASH, Thermo Fisher Scientific, USA) with 60%% of solvent A (0.1 % NH4OH, H2O) and 40%% of solvent B (0.1 % NH4OH, MeOH) using the load pump (low-pressure quartenary pump Accela 600, from Thermo Fisher Scientific, USA) at a flow rate of 1000 μL min−1.
The purpose of this paper is to assess via techno-economic and environmental metrics the production of methanol (MeOH) using H2 and captured CO2 as raw materials.
The comformers was initially optimized at PM6 using semiempirical theory method, and then optimized at the B3LYP/6-311G (d, p) in MeOH using the IEFPCM model.
The theoretical calculation of ECD was conducted in MeOH using Time-dependent Density Functional Theory (TD-DFT) at the same theory level.
