Abraham model correlations describing the solubilising ability of peanut oil

Polyparameter Linear Free Energy Relationships for Partitioning of Neutral Organic Compounds to Storage Lipids

“…Partition coefficients of 278 compounds to one or more types of storage lipids (e.g., olive oil, peanut oil, corn oil, fish oil, triolein) at 25 °C (22–26 °C to be precise and >90% partition coefficients at 25–26 °C) were extensively collected or converted from the literature (listed in Table S1 in the Supporting Information). ,− ,− Compounds in the data set include alkanes, ethers, alcohols, ketones, esters, alkylbenzenes, haloalkanes, haloolefins, halobenzenes, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), pesticides, fluorotelomer alcohols (FTOHs), and many other nonpolar and polar organic compounds, as well as inorganic gases. For practical purposes, all K i slip/w and K i slip/a values in this study are expressed in units of L water /kg storage lipid and L air /kg storage lipid .…”

“…1 In the past decade, PP-LFERs for the partition coefficients to peanut oil and triolein at 25 °C have been calibrated by Abraham, Acree, and their co-workers. 14,15 Based on the theoretical basis of PP-LFER, the system parameter b 1/2 for storage lipid−air systems should be ∼0, due to the absence of H-bond donors for triacylglycerides (generally 98−99% of the storage lipid composition) to form H-bonds with the H-bond acceptors in solutes. In practice, the b 1/2 values for soybean oil−air, olive oil−air, and peanut oil− air systems aligned with the expectation (being negligible or small, see Table 1); however, the b 1/2 values for the triolein− air system unexpectedly deviated from 0 by more than 1 unit.…”

“…For peanut oil, the H-bond donor compounds and large nonpolar compounds in the calibration set were underrepresented. 14 Considering that 25 °C is the most common standard temperature for experiments, handbooks, and PP-LFERs, it would be beneficial to comprehensively compile the experimental data and calibrate more reliable PP-LFERs for K islip/w and storage lipid−air partition coefficient (K islip/a ) at this temperature. Furthermore, it is crucial to take into account the effect of temperature on K islip/w and K islip/a , especially since many poikilotherms live in environments with temperatures well below 25 °C, sometimes even near the freezing point.…”

“…After scrutinizing the PP-LFER calibration sets for triolein, a portion of the partition coefficients in the calibration sets collected or converted from previous studies were found to be unreliable, which might be the main reason for the inconsistencies. For peanut oil, the H-bond donor compounds and large nonpolar compounds in the calibration set were underrepresented . Considering that 25 °C is the most common standard temperature for experiments, handbooks, and PP-LFERs, it would be beneficial to comprehensively compile the experimental data and calibrate more reliable PP-LFERs for K i slip/w and storage lipid–air partition coefficient ( K i slip/a ) at this temperature.…”

“…Hence, Geisler et al calibrated universal PP-LFERs for storage lipid–water partition coefficient ( K i slip/w ) at 37 °C . In the past decade, PP-LFERs for the partition coefficients to peanut oil and triolein at 25 °C have been calibrated by Abraham, Acree, and their co-workers. , Table presents EV - and EL -type LFERs for partitioning to storage lipids mentioned above, intended for subsequent analysis.…”