We report a joint experimental–theoretical study of the never reported before structure and
infrared spectra of gas phase monohydrated nicotine (NIC) and nornicotine (NOR) and use …

The infrared (IR) spectra of gas phase protonated nicotine has been measured in the never-
before probed N–H “fingerprint region”(3200–3500 cm− 1). The protonated molecules …

We report extensive conformational searches of the gas-phase neutral nicotine, nornicotine,
and their protonated analogs and the pathways and barriers for the interconversion between …

The thermodynamics of the hydrogen-bonding complexation of the acetylcholine agonists
nicotine and nornicotine and of model pyridines, pyrrolidines, and N-methylpyrrolidines has …

The binding of three distinct agonists acetylcholine (ACh), nicotine, and epibatidine to the
nicotinic acetylcholine receptor has been probed using unnatural amino acid mutagenesis …

The hydrogen‐bond (HB) interactions of the monocharged active forms of nicotine and
acetylcholine (ACh) have been compared theoretically by using density functional theory …

The role of water in the structural change of nicotine from its inactive form in the gas phase to
its bioactive form in aqueous solution has been investigated by two complementary …

Pharmacophore models for nicotinic agonists have been proposed for four decades. Central
to these models is the presence of a cationic nitrogen and a hydrogen bond acceptor. It is …

The biochemical transport and binding of nicotine depends on the hydrogen bonding
between water and binding site residues to the pyridine ring and the protonated …

Structural information on acetylcholine and its two agonists, nicotine, and muscarine has
been obtained from the interpretation of infrared spectra recorded in the gas-phase or in low …