The transitions corresponding to the bands of the IPA ligand and itsZn-MOFwere represented in Fig.2. IPA showed transitions at 279.0 and 288.0 nm, which can be assigned to π-π* transitions, specifically involving the aromatic part, and n-π* transitions of the non-bonding electrons of (C...
Studying the metabolic profiling results of the alcoholic extract ofF. creticarevealed molecular ion peak atm/z280.1368 corresponding to the molecular formula C18H32O2which was identified as linoleic acid, previously detected inF. cretica[40]. Ten triterpenoid saponin compounds with molecular ion peaks a...
Such an interpretation is fully in line with a fragment molcular orbital (MO) analysis, which we carried out for the planar D2h complex MgNc. As shown in Fig. 4, all 12 occupied π MOs of MgNc may be regarded as bonding and antibonding combinations of the 6 occupied π MOs of the ...
On the other hand, the ELNES for Mn with the same oxidation states and different bonding environment has similar overall shapes and onset energy33. Since the overall shape of the ELNES for the same Mn oxidation state in different compounds is similar, it has been successfully demonstrated that ...
2,3 H2bitsc:H(donor⋅⋅⋅H-acceptor)A:Gly96:O H-bonding hydrogen bond(d = 2.59 Å) A:Ile122(σ-orbital⋅⋅⋅π-orbital)2,3 H2bitsc hydrophobic σ-π 2,3 H2bitsc(π-orbital⋅⋅⋅π-orbital)A:Phe41 hydrophobic π-π 2,3 H2bitsc(π-orbital⋅⋅⋅alkyl)A:Val...
Electron-pair bond valenceAtomic valenceWith one atomic orbital per atomic center, the Wiberg formula for atomic valence ( V ab(Wiberg) = P aa路 P bb) for a diatomic electron-pair bond wavefunction is modified to generate atomic valence formulae for each of two bonding electrons, two ...
The hinge provides varying levels of flexibility between the binding and effector regions of an antibody and also provides sites for intermolecular disulfide bonding between the two heavy chain constant regions. As used herein, a hinge starts at Glu216 and ends at Gly237 for all IgG isotypes (...
3.1. 0D and 1D molecular descriptors 0D descriptors are the simplest representations of molecular structures and can be derived solely from the chemical formula of a molecule. These descriptors capture essential bulk properties without delving into details of molecular connectivity or bonding patterns [...
At the molecular level, by staining the cardiomyoblasts that received different treatments with the ROS-sensitive probe DCFH-DA, it was found that DOX-induced abundant production of reactive oxygen species within the cardiomyoblasts by oxidative catalysis, leading to significant oxidative stress within ...
The admixed organic compound adsorbed strongly onto the carbon steel, passivating it through electrostatic attraction and covalent bonding, resulting from chemisorption mechanism onto the steel surface. The inhibition efficiency values remained sufficiently high from the onset of the exposure hours till the...