Pressure regulated basis for gene transcription by delta-cell micro-compliance modeled in silico: Biphenyl, bisphenol and small molecule ligand models of cell contraction-expansion (Retracted Article)

Molecular diameter, lipophilicity and hydrophilicity exclusion affinity limits exist for small molecule carrier-mediated diffusion or transport through channel pores or interaction with the cell surface glycocalyx. The molecular structure lipophilicity limit for non-specific carrier-mediated transmembrane diffusion through polarity-selective transport channels of the cell membrane is L-external structure center dot H(polar group)(-1)of >= 1.07. The cell membrane channel pore size is > 0.752 and < 0.758 nm based on a 3-D ellipsoid model (biphenyl), and within the molecular diameter size range 0.744 and 0.762 nm based on a 2-D elliptical model (alkanol). The adjusted van der Waals diameter (vdWD, adj; nm) for the subset of halogenated vapors is predictive of the required MAC for anesthetic potency at an initial (-) Delta C(micro)effect. The molecular structure L center dot H(polar group)(-1)for Neu5Ac is 0.080, and the L center dot H(polar group)(-1)interval range for the cell surface glycocalyx hydrophilicity barrier interaction is 0.101 (Saxitoxin, Stx; L-internal structure center dot H-polar group(-1)) - 0.092 (m-xylenediamine, L-external structure center dot H-polar group). Differential predictive effective pressure mapping of gene activation or repression reveals thatp-dioxin exposure results in activation of AhR-Er beta (Arnt)/Nrf-2, Ppar delta, Err gamma (LxR alpha), Dio3 (Dio2) and Tr alpha limbs, and due to high affinity Dio2 and Dio3 (OH-TriCDD, L-ext center dot H-1: 1.91-4.31) exothermy-antagonism (Delta contraction) with high affinity T-4/rT(3)-TR alpha-mediated agonism (Delta expansion).co-planar PCB metabolite exposure (L-ext center dot H-1: 1.95-3.91) results in activation of AhR (Er alpha/beta)/Nrf2, Rev-Erb beta, Err alpha, Dio3 (Dio2) and Tr alpha limbs with a Delta C(micro)contraction of 0.89 and Delta C(micro)expansion of 1.05 as compared top-dioxin.co-,ortho-planar PCB metabolite exposure results in activation of Car/PxR, Ppar alpha (Srebf1,-Lxr beta), Arnt (AhR-Er beta), AR, Dio1 (Dio2) and Tr beta limbs with a Delta C(micro)contraction of 0.73 and Delta C(micro)expansion of 1.18 (as compared top-dioxin). Bisphenol A exposure (L-ext struct center dot H-1: 1.08-1.12, BPA-BPE, Err gamma; BPAF, L-ext struct center dot H-1: 1.23, CM Er alpha, beta) results in increased duration atP(eff)forTimm8b(P(eff)0.247) transcription and in indirect activation of the AhR/Nrf-2 hybrid pathway with decreased duration atP(eff)0.200 (Nrf1) and increased du