Patrick McArdle

Research interests

Publications

• Pixel calculations using Orca or GAUSSIAN for electron density automated within the Oscail package

  Journal of Applied Crystallography · 2021 · 10.1107/s1600576721008529

• The natural bile acid surfactant sodium taurocholate (NaTC) as a coformer in coamorphous systems: Enhanced physical stability and dissolution behavior of coamorphous drug-NaTc systems

  International Journal of Pharmaceutics · 2017 · 10.1016/j.ijpharm.2017.10.049

• Oscail, a program package for small-molecule single-crystal crystallography with crystal morphology prediction and molecular modelling

  Journal of Applied Crystallography · 2017 · 10.1107/s1600576716018446

• Comprehensive definition of oxidation state (IUPAC Recommendations 2016)

  Pure and Applied Chemistry · 2016 · 10.1515/pac-2015-1204

• Nickel(II) and cobalt(II) complexes of lidocaine: Synthesis, structure and comparative in vitro evaluations of biological perspectives

  European Journal of Medicinal Chemistry · 2015 · 10.1016/j.ejmech.2015.09.018

• Design of Lead(II) Metal–Organic Frameworks Based on Covalent and Tetrel Bonding

  Chemistry - A European Journal · 2015 · 10.1002/chem.201501916

• Toward a comprehensive definition of oxidation state (IUPAC Technical Report)

  Pure and Applied Chemistry · 2014 · 10.1515/pac-2013-0505

• Nano structure zinc (II) Schiff base complexes of a N3-tridentate ligand as new biological active agents: Spectral, thermal behaviors and crystal structure of zinc azide complex

  Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 10.1016/j.saa.2014.11.055

• Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids

  Crystal Growth & Design · 2013 · 10.1021/cg401673z

• Amorphous Solid Dispersions of Sulfonamide/Soluplus® and Sulfonamide/PVP Prepared by Ball Milling

  AAPS PharmSciTech · 2013 · 10.1208/s12249-013-9931-7

• Solid-State Transformations of Sulfathiazole Polymorphs: The Effects of Milling and Humidity

  Crystal Growth & Design · 2013 · 10.1021/cg4002779

• Asymmetric Organocatalytic 1,6‐Conjugate Addition of Aldehydes to Dienic Sulfones

  Angewandte Chemie International Edition · 2011 · 10.1002/anie.201100804

• Quantitative analysis of sulfathiazole polymorphs in ternary mixtures by attenuated total reflectance infrared, near-infrared and Raman spectroscopy

  Journal of Pharmaceutical and Biomedical Analysis · 2010 · 10.1016/j.jpba.2010.05.002

• A method for the prediction of the crystal structure of ionic organic compounds—the crystal structures of o-toluidinium chloride and bromide and polymorphism of bicifadine hydrochloride

  CrystEngComm · 2004 · 10.1039/b407861f

• α-Keto amides as precursors to heterocycles—generation and cycloaddition reactions of piperazin-5-one nitrones

  Organic & Biomolecular Chemistry · 2003 · 10.1039/b210943n

• ABSEN – a PC computer program for listing systematic absences and space-group determination

  Journal of Applied Crystallography · 1996 · 10.1107/s0021889895016311

• ORTEX2.1 – a 1677-atom version ofORTEPwith automatic cell outline and cell packing for use on a PC

  Journal of Applied Crystallography · 1994 · 10.1107/s002188989400230x

• Molecular materials containig donor and acceptor groups. Synthesis, structure and spectroscopic properties of ferrocenyl Schiff bases

  Journal of the Chemical Society Dalton Transactions · 1992 · 10.1039/dt9920002235

• A reinvestigation of the reaction of [Fe2(η-C5H5)2(CO)4-n(CNR)n] (n = 1 or 2) with strong alkylating agents

  Journal of Organometallic Chemistry · 1992 · 10.1016/0022-328x(92)88013-9

Current projects

No projects listed.