Xevo tq ms triple quadrupole mass spectrometer

A Xevo TQ-MS triple quadrupole mass spectrometer (Waters, Guyancourt, France) equipped with a Waters Acquity UPLC system (Waters, Guyancourt, France) was used to analyze the MC recovery rate after exposure to different plastic materials. Chromatographic separation was achieved on a Waters BEH C18 column (2.1 mm × 100 mm of inner diameter, 1.7 μm of particle size; Waters, Guyancourt, France). The analytical condition was as follows: electrospray ionization with positive mode, desolvation temperature of 500 °C, desolvation gas flow rate of 700 L/h, and source temperature of 150 °C. Distilled water containing 0.1% formic acid (A) and acetonitrile containing 0.1% formic acid (B) were used for mobile phases. The gradient condition was as follows: 0–1 min, 5% (B); 1–5 min, 100% (B); 5–7.5 min, 100% (B); and 7.5–10 min, 5% (B). The column was maintained for 2.5 min with 95% (A). MC-LR, -RR and -YR were monitored in multiple reaction monitoring mode under optimized conditions as follows: MR-LR: m/z 995.4 > 134.9 and 106.95; MR-RR: m/z 520.0 > 134.9 and 106.9; and MR-YR: m/z 1045.4 >134.9 and 106.9.

A Waters ACQUITY UPLC system (Waters Corporation) coupled to a Waters Xevo TQ MS triple quadrupole mass spectrometer fitted with a Z-Spray^TM source was used in the analytical method development. Electrospray ionisation ((+)/(−) ESI-MS/MS) scanning mode and argon collision gas was used to identify each analyte in the herb against a commercially purchased analytical standard. Chromatographic separation was achieved using an Acquity BEH C18 (150 mm × 2.10 mm, 1.7 μm packing) column. The injection volume was set at 3 µL, and the column heater temperature was set at 28 °C at the start of each run. The results of the analyses were processed using Waters MassLynx^TM version 4.1 (Waters Corporation).
An Adam AFA-210LC analytical balance (Adam Equipment Co., Perth, WA, Australia) and a Sartorius SE-2 micro analytical balance (Sartorius Australia, Melbourne, VIC, Australia) were used to weigh the samples and standards. The Powersonic 420 ultrasonic bath (Thermoline Scientific, Sydney, NSW, Australia) and Beckmann GP centrifuge from Beckmann Coulter (Beckmann Coulter, Sydney, NSW, Australia) were used in the extraction of the analytes from the herbal formulation. The extraction solutions were then passed through a Millipore 0.22 μm centrifuge filter with a microporous membrane purchased from EMD Millipore (Millipore, Billerica, MA, USA).

CM352 solutions were prepared by dissolving the solid in saline. A drug dosage of 1 mg/kg was administered as a single intravenous injection in the femoral vein. Blood was collected into citrated tubes, and plasma was obtained by 2‐step centrifugation: first at 600 g for 10 minutes and then at 18 000 g for 2 minutes. Plasma samples were stored at −80°C until analysis. CM352 was measured in plasma samples using a Xevo‐TQ MS triple quadrupole mass spectrometer with an electrospray ionization source and an Acquity UPLC (Waters, Manchester, UK) as previously reported.20 Briefly, after chromatographic separation, the compound was detected using multiple reaction monitoring. Quantification was achieved by external calibration using matrix‐matched standards prepared by adding the appropriate volume of diluted solutions of the compound (in methanol/water 50:50, v:v) to aliquots of 50 μL blank plasma. Pharmacokinetic parameters were obtained by fitting the blood concentration‐time data to a bicompartmental model with the WinNonlin software (Pharsight, Mountain View, CA).

The High-performance liquid chromatography (HPLC) system includes two LC-20AD pumps (Shimadzu, Japan), an SPD-20A UV-Vis detector, a thermostat column, and an Agilent ZORBAX SB-C18 column (5 µm, 4.6 × 250 mm). The eluation system consists of water with 0.1% formic acid (mobile phase A) and methanol (mobile phase B), and the flow rate was 0.8 mL/min during the following gradient: 0.00–35.00 min, 30–100% mobile phase B; 35.00–40.00 min 100 mobile phase B. The 1D NMR spectra were recorded in CD₃OD using a Bruker DRX-600 spectrometer (Bruker, Rheinstetten, Germany) with tetramethylsilane (TMS) as the internal standard. Cells were cultured in a constant temperature incubator shaker (Zhicheng Analytical Instrument, Shanghai, China). The ligand fishing process was completed by a high-speed centrifuge (DLABsci Instrument, Beijing, China) and a vortex oscillator (Crystal Instrument, HYQ-3110, USA). HPLC-MS/MS analysis was performed on a Waters ACQUITY system coupled with a XEVO TQ MS triple-quadrupole mass spectrometer (Waters, Milford, PA, USA). A microplate reader (ThermoFisher, Multiskan GO, USA) was used for enzymatic activity assay. A Shimadzu 8030 LC-MS (Shimadzu, Japan) was used for compound identification.

The analysis of metabolic profiles of CSF samples from the nested case–control postoperative delirium cohort has previously been published^{13 (link)}. In this investigation the corresponding blood plasma samples of each of the same patients were examined by an identical kit-based methodology. Quantitative metabolomic profiling was performed using the Biocrates AbsoluteIDQ p180 (BIOCRATES, Life Science AG, Innsbruck, Austria) using a Xevo TQ-MS triple-quadrupole mass spectrometer (Waters Corporation, Milford, USA) as previously described^{26 (link)}. Briefly, this comprised of two general methods: UPLC (I-Class, Waters Corporation, UK) reversed-phase (Waters ACQUITY UPLC BEH C18 2.1 × 50 mm, 1.7 μm; UK) with multiple reaction monitoring (MRM), and flow injection analysis (FIA) also operating in MRM mode. Metabolite concentrations were calculated and expressed as micromolar (µM).