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Molecules with lower energy of the HOMO and LUMO behave as stronger retarders.
Therefore, the prediction for the molecules with higher pLD50 values are worse than those for the molecules with lower pLD50 values.
The peaks pertaining to higher velocities increase in intensity more markedly than those at low velocities, because molecules with lower velocities are stopped and reversed in the decelerator.
The outer layers of the callus starch granules have larger molecules with lower amylose content and shorter amylopectin chains compared to further inside the callus starch granules.
But for low-velocity applications, especially when the final velocity after deceleration is below 50 m/s, molecules with lower velocities will be stopped and reflected in the Stark decelerator [36], which causes loss.
Correlation analysis shows that MW of ACD has an obvious anti-correlation with solubility: logS = −0.0097 × MW-0.78 (r = −0.43), indicating that molecules with lower MW usually have better solubility.
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While drug "aggregates" were observed in DCM, poorly stable drug molecules with lowered penetrations were observed in pure DMF.
Platinum complex ion ([PtCl42−) behaves like a molecule with lower polarity due to its large size.
Citronellol, the molecule with lower number of π bonds, is an acyclic terpene less able to interact with SCP-2 and is also the molecule with lower larvicidal activity.
The acetone molecule with lower O Mulliken charge (−0.375 e) exhibited lower response than 1-butylamine, probably due to the structure difference.
The HOMO energy (EHOMO) expresses the intrinsic electron donating tendency to an appropriate acceptor i.e., any molecule with lower HOMO energy and empty molecular orbital; while the energy of LUMO (ELUMO) is directly related to the electron affinity and characterizes the susceptibility of the molecule toward attack by nucleophiles[66, 67, 68].
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com