Cyclic-AMP (cAMP)-dependent protein kinase (PKA) is the main effector of cAMP signaling in all tissues. Inactivating mutations of the PRKAR1A gene, coding for the type 1A regulatory subunit of PKA, are responsible for Carney complex and primary pigmented nodular adrenocortical disease (PPNAD). PRKAR1A inactivation and PKA dysregulation have been implicated in various types of adrenocortical pat...

Molecular dynamics simulation is commonly employed to explore protein dynamics. Despite the disparate timescales between functional mechanisms and molecular dynamics (MD) trajectories, functional differences are often inferred from differences in conformational ensembles between two proteins in structure-function studies that investigate the effect of mutations. A common measure to quantify dif...

A mechanistic study of the bimolecular nucleophilic substitution (SN2) reaction for halomethane CH3X (X = Cl, Br, or I) is approached by using symmetry principles and molecular orbital theory. The electrophilicity of the functionalized sp–carbon is attributable to a 2p-orbital-based antibonding MO along the C–X bond. This antibonding MO, upon accepting an electron pair from a nucleophile, gives...

We introduce a new space ANlog,α B consisting of all holomorphic functions on the unit ball B ⊂ C such that ‖f‖ANlog,α : ∫ B φe ln 1 |f z | dVα z < ∞, where α > −1, dVα z cα,n 1 − |z| dV z dV z is the normalized Lebesgue volume measure on B, and cα,n is a normalization constant, that is, Vα B 1 , and φe t t ln e t for t ∈ 0,∞ . Some basic properties of this space are presented. Among other resu...

Radical a* ions appear in electron capture dissociation mass spectra sporadically, but sometimes with high intensity. Mechanistically, radical a ions are hypothesized to arise due to thermodynamically disadvantaged charge solvation on the backbone nitrogen (instead of carbonyl), which upon neutralization produces a hypervalent group instantly fragmenting into a radical b* and conventional y' io...

There are two practical ways to complete an abelian group A at a prime p. One could complete A with respect to the neighborhood base of zero given by the subgroups pA. This completion, called p-completion, is limA/pA. Or one could complete A with respect to the neighborhood base of zero given by subgroups B ⊆ A of finite p-power index. This completion, called p-pro-finite completion, is limAα w...