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Several molecules containing a ptC were predicted and even experimentally detected, using the electronic approach.
This has been made possible thanks to the preparation of several molecules containing various anchoring groups (thiol, thioester, acyclic and cyclic disulfides, thiosulfonate) while preserving the same spacer redox head group.
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Several probe molecules containing d-homoserine or its derivatives at P1 position are evaluated.
To reduce false-positive annotations, several lipid molecules containing different numbers of carbon atoms and double bonds were manually checked for each lipid class and the common features were extracted.
Several POSS molecules containing silanol functionalities and alkyl and phenyl substituents were used to separately evaluate the effects of hydrogen bonding and π−π interactions on formation of molecular adducts.
Several scaffold molecules containing complex core 2 O-glycans, other O-glycan structures, N-glycans, or glycolipidstructures terminally decorated with sLeX [53], [54], [55].
For several of the molecules containing biologically important channels/pores with known functionality and properties, we evaluated the physicochemical properties by MOLE 2.0 and related them to the known function of the channel/pore (Figure 7 and Table 2).
Cluster one contained a diverse group of elevated metabolites including several predicted shorter-chain organic molecules (containing 11 to 21 carbons), a predicted triacylgycerol, and a putative adenosine-related metabolite.
CRM1 is an export receptor involved in nucleo-cytoplasmic exchange of several shuttling proteins [34] capable of binding cargo molecules containing a canonical NES [15].
While every micelle (microreactor) contains several molecules of ML, only a few micelles contain an antioxidant.
Biodiesel molecules contain oxygen, as well.
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