The lower panel of Figure 1 shows the optimized MS/MS compound parameters (left) and ion source parameters (right).
Design of experiments studies revealed that the optimum nanocomposites properties can be achieved by carefully controlling the melt compounding parameters.
The optimized compound parameters for monitoring LHA were set as follows: DP 48 V, EP 5 V, CE 20 V, and CXP 8 V.
The compound parameters like cone voltage and collision energy were set at 46 V & 30 eV for linifanib and 36 V & 22 eV for IS respectively.
At the end, the highest peak area for molecular ion of the analyte was achieved when the optimized compound parameters and ion source parameters were combined (Figure 2). Figure 2 MS/MS parameters and LC conditions optimization.
The optimized compound parameters for monitoring LS and IS were set as follows: declustering potential (DP), 38 V; entrance potential (EP), 10 V; collision energy (CE), 20 V; and collision cell exit potential (CXP), 7 V.
The MS analyzer parameters were as follows: LM1 and HM1 resolution 14.0 and 14 respectively; ion energy 1; LM2 and HM2 resolution 10.0 and 14.0 respectively, ion energy 2. The compound parameters like cone voltage and collision energy were optimized and set at 27 V and 19 eV for LND and 36 V and 36 eV for IS respectively.
For each compound, parameters for the model were derived by nonlinear regression, fitting the data to the biexponential model: <img src="http://journals.plos.org/plosone/article/asset?id=info?doi/10.1371/journal.pone.0001425.e002.PNG" class= inline-graphic"/> In the two-compartment model, rate constants and distribution spaces are derived from the constants A, B, α, and β.
Since the model is expressed with functions of the compound parameters θ and τ, the mutation rate is fixed and behaves as a scale parameter.
The optimal compound parameters were declustering potential (DP) +20 V, entrance potential (EP) +10 V, collision energy (CE) 10 V, ionization energy 1.0 eV and detector 2800.
