The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule (open access)

The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule

This article describes reference quality conformational energies for the 52 unique conformers of melatonin by means of explicitly correlated ab initio methods as well as the ccCA composite method.
Date: December 21, 2012
Creator: Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M. L.
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures (open access)

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures.
Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
System: The UNT Digital Library
IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures (open access)

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 2. Ternary Solvent Mixtures

Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in ternary organic solvent mixtures.
Date: February 28, 2013
Creator: Acree, William E. (William Eugene)
System: The UNT Digital Library
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements (open access)

Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements

This article discusses the determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements.
Date: February 2013
Creator: Abraham, M. H. (Michael H.); Gola, Joelle R. M.; Gil-Lostes, Javier; Acree, William E. (William Eugene) & Cometto-Muñiz, J. Enrique
System: The UNT Digital Library
Long-distance communication and signal amplication in systemic acquired resistance (open access)

Long-distance communication and signal amplication in systemic acquired resistance

This review article summarizes the involvement and interaction between long-distance systemic acquired resistance (SAR) signals and details the recently discovered role of lysine catabolite pipecolic acid (Pip) in defense amplification and priming that allows plants to acquire immunity at the systemic level.
Date: February 22, 2013
Creator: Shah, Jyoti & Zeier, Jürgen
System: The UNT Digital Library
Collaborative Filtering for Brain-Computer Interaction Using Transfer Learning and Active Class Selection (open access)

Collaborative Filtering for Brain-Computer Interaction Using Transfer Learning and Active Class Selection

Article discussing collaborative filtering for brain-computer interaction using transfer learning and active class selection.
Date: February 21, 2013
Creator: Wu, Dongrui; Lance, Brent J. & Parsons, Thomas D.
System: The UNT Digital Library

Response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients"

This article is a response to "A critique of Abraham and Acree's correlation for deca-1,9-diene/water partition coefficients," published in New Journal of Chemistry, 2013.
Date: February 1, 2013
Creator: Abraham, M. H. (Michael H.) & Acree, William E. (William Eugene)
System: The UNT Digital Library