Jon Applequist -- Publications

C. T. O'Konski and J. B. Applequist.
Polymerization of tobacco mosaic virus from electric birefringence studies.
Nature, 178:1464-1465, 1956.

J. Applequist.
Estimation of base pairing in nucleic acids from hypochromism.
J. Am. Chem. Soc., 83:3158-3159, 1961.

J. Applequist.
A model for random degradation of two-stranded polymers and its application to deoxyribonucleic acid.
Arch. Biochem. Biophys., 95:42-54, 1961.

J. Applequist and P. Doty.
alpha-Helix formation in poly-epsilon-carbobenzoxy-L-lysine and poly-L-lysine.
In M. A. Stahmann, editor, Polyamino Acids, Polypeptides, and Proteins, pages 161-176. University of Wisconsin Press, Madison, Wisc., 1962. (Download reprint as PDF file.)

J. Applequist.
On the helix-coil equilibrium in polypeptides.
J. Chem. Phys., 38:934-941, 1963.
Erratum, J. Chem. Phys., 49:3327, 1968.

J. Applequist and J. L. Breslow.
Comparison of hypochromic effect and optical rotation in poly- L-glutamic acid.
J. Am. Chem. Soc., 85:2869, 1963.

J. Applequist and V. Damle.
Theory of the effects of concentration and chain length on helix-coil equilibria in two-stranded nucleic acids.
J. Chem. Phys., 39:2719-2721, 1963.

J. Rifkind and J. Applequist.
The helix interruption constant for poly- L-glutamic acid from the pressure dependence of optical rotation.
J. Am. Chem. Soc., 86:4207-4208, 1964.

J. Applequist and V. Damle.
Thermodynamics of the helix-coil equilibrium in oligoadenylic acid from hypochromicity studies.
J. Am. Chem. Soc., 87:1450-1458, 1965.

J. Kovacs, R. Ballina, R. L. Rodin, D. Balasubramanian, and J. Applequist.
Poly-beta-L-aspartic acid. Synthesis through pentachlorophenyl active ester and conformational studies.
J. Am. Chem. Soc., 87:119-120, 1965.

J. Applequist and V. Damle.
Thermodynamics of the one-stranded helix-coil equilibrium in polyadenylic acid.
J. Am. Chem. Soc., 88:3895-3900, 1966.

J. Applequist.
True phase transitions in macromolecules of the DNA type.
J. Chem. Phys., 45:3459-3461, 1966.

J. Applequist and T. G. Mahr.
The conformation of poly- L-tyrosine in quinoline from dielectric dispersion studies.
J. Am. Chem. Soc., 88:5419-5429, 1966.

J. Applequist.
Macromolecular cooperative phenomena.
In G. N. Ramachandran, editor, Conformation of Biopolymers, pages 403-425. Academic Press, London, 1967. ( Download reprint as PDF file.)

J. Applequist.
Comments on the one-dimensional Ising model and its application to the cis-trans equilibrium in poly- L-proline.
Biopolymers, 6:117-121, 1968.

J. M. Rifkind and J. Applequist.
The effect of pressure on the cis-trans equilibrium in poly- L-proline.
J. Am. Chem. Soc., 90:3650-3654, 1968.

J. Applequist.
Higher-order phase transitions in two-stranded macromolecules.
J. Chem. Phys., 50:600-609, 1969.

J. Applequist.
First-order phase transitions in multistranded macromolecules.
J. Chem. Phys., 50:609-612, 1969.

J. Applequist, P. Rivers, and D. E. Applequist.
Theoretical and experimental studies of optically active bridgehead-substituted adamantanes and related compounds.
J. Am. Chem. Soc., 91:5705-5711, 1969.

J. D. Glickson and J. Applequist.
Chain branching in poly-beta-alanine.
Macromolecules, 2:628-634, 1969.

J. D. Glickson and J. Applequist.
The conformation of poly-beta-alanine in aqueous solution from proton magnetic resonance and deuterium exchange studies.
J. Am. Chem. Soc., 93:3276-3281, 1971.

J. Applequist, J. R. Carl, and K.-K. Fung.
An atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities.
J. Am. Chem. Soc., 94:2952-2960, 1972.

J. Applequist.
Reevaluation of thermodynamic parameters for helix-coil equilibria in oligo(A).
Biopolymers, 12:786-789, 1973.
Appendix to R. D. Blake and J. R. Fresco, Biopolymers, 12:775-786, 1973.

J. Applequist.
On the polarizability theory of optical rotation.
J. Chem. Phys., 58:4251-4259, 1973.
Errata, (PostScript file).

J. Applequist.
The optical rotation of alpha-bromopropionitrile and 3-methyl-5-bromo-1-cyanoadamantane from polarizability theory.
J. Am. Chem. Soc., 95:8255-8258, 1973.

J. Applequist.
Optical rotations of cyclohexanepolyols from polarizability theory.
J. Am. Chem. Soc., 95:8258-8262, 1973.

J. Applequist and J. R. Carl.
The polarizability of the CN group from a dipole interaction treatment of experimental polarizabilities of nitriles.
J. Phys. Chem., 77:2090-2093, 1973.

J. Applequist and B. K. Lunde.
A demonstration of two-component behavior of the circular dichroic spectra of poly( L-tyrosine, 3-bromo- L-tyrosine) in trimethylphosphate.
Biopolymers, 13:1341-1346, 1974.

T. L. Klug and J. Applequist.
Conformational induction in copolypeptides of the form AnBm.
Biopolymers, 13:1317-1340, 1974.

D. B. Siano and J. Applequist.
Computer-assisted analysis of light-scattering data by linear and nonlinear least-squares methods.
Macromolecules, 8:858-864, 1975.

J. Applequist.
An atom dipole interaction model for molecular optical properties.
Acc. Chem. Res., 10:79-85, 1977.

J. Applequist.
Cooperative ligand binding to linear chain molecules.
J. Chem. Educ., 54:417-419, 1977.

J. Applequist and C. O. Quicksall.
Calculation of Raman scattering parameters for methane and halomethanes from an atom dipole interaction model.
J. Chem. Phys., 66:3455-3459, 1977.

J. Applequist, K. R. Sundberg, M. L. Olson, and L. C. Weiss.
A normal mode treatment of optical properties of a classical coupled dipole oscillator system with Lorentzian bandshapes.
J. Chem. Phys., 70:1240-1246, 1979.

Erratum, J. Chem. Phys., 71:2330, 1979.

J. Applequist.
Dipole coupling effects of nonchromophoric groups in molecules on frequencies, dipole strengths, and rotational strengths of chromophoric groups.
J. Chem. Phys., 71:1983-1984, 1979.

J. Applequist.
A dipole interaction treatment of the polarizabilities and low energy pi-pi* transitions of amides of formic acid and acetic acid.
J. Chem. Phys., 71:4324-4331, 1979.

J. Applequist.
A full polarizability treatment of the pi-pi* absorption and circular dichroic spectra of alpha-helical polypeptides.
J. Chem. Phys., 71:4332-4338, 1979.

Erratum, J. Chem. Phys., 73:3521, 1980.

J. Applequist and C. E. Felder.
Electron transfer energies and dipole moments of alkyl halides and amines from an electrostatic model.
J. Chem. Phys., 75:1863-1868, 1981.

C. E. Felder and J. Applequist.
Energies of solute molecules from an atom charge-dipole interaction model with a surrounding dielectric: application to Gibbs energies of proton transfer between carboxylic acids in water.
J. Chem. Phys., 75:2390-2398, 1981.

J. Applequist.
Theoretical pi-pi* circular dichroic spectra of helical poly(glycine) and poly(L-alanine) as functions of backbone torsion angles.
Biopolymers, 20:387-397, 1981.

J. Applequist.
Theoretical pi-pi* absorption and circular dichroic spectra of helical poly( L-proline) forms I and II.
Biopolymers, 20:2311-2322, 1981.

J. Applequist.
Effects of side chain conformation on pi-pi* circular dichroic spectra of poly( L-alpha-aminobutyric acid) general helices.
Biopolymers, 21:703-704, 1982.

J. Applequist.
Theoretical pi-pi* absorption and circular dichroic spectra of polypeptide beta-structures.
Biopolymers, 21:779-795, 1982.

J. Applequist.
Cartesian polytensors.
J. Math. Phys., 24:736-741, 1983.

J. Applequist.
Fundamental relationships in the theory of electric multipole moments and multipole polarizabilities in static fields.
Chem. Phys., 85:279-290, 1984.
Errata, Chem. Phys., 190:153-154, 1995.

J. W. Caldwell and J. Applequist.
Theoretical pi-pi* absorption, circular dichroic, and linear dichroic spectra of collagen triple helices.
Biopolymers, 23:1891-1904, 1984.

J. Applequist.
A multipole interaction theory of electric polarization of atomic and molecular assemblies.
J. Chem. Phys., 83:809-826, 1985.

Errata, J. Chem. Phys., 98:7664, 1993.

B. K. Sathyanarayana and J. Applequist.
Theoretical pi-pi* absorption and circular dichroic spectra of cyclic dipeptides.
Int. J. Peptide Protein Res., 26:518-527, 1985.

B. K. Sathyanarayana and J. Applequist.
Theoretical pi-pi* absorption and circular dichroic spectra of beta-turn model peptides.
Int. J. Peptide Protein Res., 27:86-94, 1986.

J. Applequist.
Optical activity: Biot's bequest.
Am. Sci., 75:58-68, 1987. ( Click here for Addendum of Scientist Portraits, PDF file. )

A. E. Wroblewski, J. Applequist, A. Takaya, R. Honzatko, S.-S. Kim, R. A. Jacobson, B. H. Reitsma, E. S. Yeung, and J. G. Verkade.
Experimental and theoretical study of the structures and optical rotations of chiral bicyclic ortho esters.
J. Am. Chem. Soc., 110:4144-4150, 1988.

J. Applequist.
Traceless cartesian tensor forms for spherical harmonic functions: new theorems and applications to electrostatics of dielectric media.
J. Phys. A: Math. Gen., 22:4303-4330, 1989.

J. Applequist.
Cavity model for optical properties of solutions of chiral molecules.
J. Phys. Chem., 94:6564-6573, 1990.

K. A. Thomasson and J. Applequist.
Bond-optimized ring closure for proline: comparison of conformations and semiempirical energies with small molecule x-ray structures.
Biopolymers, 30:437-450, 1990.

J. Applequist.
Theory of solvent effects on the visible absorption spectrum of beta-carotene by a lattice-filled cavity model.
J. Phys. Chem., 95:3539-3545, 1991.

K. A. Thomasson and J. Applequist.
Effects of proline ring conformation on theoretical pi-pi* absorption and CD spectra of helical poly(L-proline) forms I and II.
Biopolymers, 31:529-535, 1991.

J. Applequist.
Atom charge transfer in molecular polarizabilities. Application of the Olson-Sundberg model to aliphatic and aromatic hydrocarbons.
J. Phys. Chem., 97:6016-6023, 1993.

B. Shanker and J. Applequist.
Polarizabilities of fullerenes C20 through C240 from atom monopole-dipole interaction theory.
J. Phys. Chem., 98:6486-6489, 1994.

B. Shanker and J. Applequist.
Electronic absorption spectra of molecules and aggregates with interatomic charge transfer using a normal mode treatment of the atom monopole-dipole interaction model.
J. Chem. Phys., 104:6109-6116, 1996.

B. Shanker and J. Applequist.
Polarizabilities of nitrogen heterocyclic molecules from atom monopole-dipole interaction theory.
J. Phys. Chem., 100:3879-3881, 1996.

B. Shanker and J. Applequist.
An atom monopole-dipole interaction model with limited delocalization length for polarizabilities of polyenes.
J. Phys. Chem., 100:10834-10836, 1996.

K. A. Bode and J. Applequist.
A new optimization of atom polarizabilities in halomethanes, aldehydes, ketones, and amides by way of the atom dipole interaction model.
J. Phys. Chem., 100:17820-17824, 1996.

K. A. Bode and J. Applequist.
Improved theoretical pi-pi* absorption and circular dichroic spectra of helical polypeptides using new polarizabilities of atoms and NC'O chromophores. J. Phys. Chem., 100:17825-17834, 1996.
Erratum J. Phys. Chem. A, 101:9560, 1997.

K. A. Bode and J. Applequist.
Poly(beta-amino acid) helices. Theoretical pi-pi* absorption and circular dichroic spectra.
Macromolecules, 30:2144-2150, 1997.

K. A. Bode and J. Applequist.
Helix bundles and coiled coils in alpha-spectrin and tropomyosin: a theoretical CD study.
Biopolymers, 42:855-860, 1997.

J. Applequist, K. A. Bode, D. H. Appella, L. A. Christianson, and S. H. Gellman.
Theoretical and experimental circular dichroic spectra of the novel helical foldamer poly[(1R,2R)-trans-2-aminocyclopentanecarboxylic acid].
J. Am. Chem. Soc., 120:4891-4892, 1998.

J. Applequist.
Comment on the validity of the atom monopole-dipole interaction model for optical activity.
J. Phys. Chem. A, 102:7723-7724, 1998.

K. A. Bode and J. Applequist.
Globular protein ultraviolet circular dichroic spectra. Calculation from crystal structures via the dipole interaction model.
J. Am. Chem. Soc., 120:10938-10946, 1998.

Erratum J. Am. Chem. Soc., 120:13545, 1998.

J. Applequist and K. A. Bode.
Solvent effects on ultraviolet absorption and circular dichroic spectra of helical polypeptides and globular proteins. Calculations based on a lattice-filled cavity model.
J. Phys. Chem. B, 103:1767-1773, 1999.

J. Applequist and K. A. Bode.
Fully extended poly(beta-amino acid) chains: translational helices with unusual theoretical pi-pi* absorption and circular dichroic spectra.
J. Phys. Chem. A, 104:7129-7132, 2000.

J. Applequist.
Electronic normal modes and polarization waves in translational polymer helices. Application to fully extended poly[(R)-beta-aminobutyric acid] chains.
J. Phys. Chem. A, 104:7133-7139, 2000.

Erratum, J. Phys. Chem. A, 104:10994, 2000.

J. Applequist.
Maxwell-Cartesian spherical harmonics in multipole potentials and atomic orbitals.
Theor. Chem. Acc., 107:103-115, 2002.