Browsing College of Science by Author "McArdle, Patrick"
Now showing items 21-34 of 34
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One-pot hydrogen peroxide and hydrohalic acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles
Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz (American Chemical Society, 2015-05-19)A new series of selectively dichlorinated and dibrominated five- to eight-membered-ring [1,2-a]-fused benzimidazoles and [1,4]oxazino[4,3-a]benzimidazoles are synthesized in mostly high yields of >80% using the reaction ... -
Planar [Ni-7] discs as double-bowl, pseudo metallacalix[6]arene host cavities
Meally, Sean T.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F. (RSC, 2010-09-19)We report three heptanuclear[Ni-7] complexes with planar disc-like cores, akin to double-bowl metallocalix[6]arenes, which form molecular H-bonded host cavities. -
Salts, binary and ternary cocrystals of pyrimethamine: mechanosynthesis, solution crystallization and crystallization from the gas phase
O’Malley, Ciaran; Bouchet, Chloe; Manyara, Grayce; Walsh, Niamh; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2020-11-24)A series of salts and binary and ternary cocrystals of the antimalaria drug pyrimethamine (PYR) are reported. PYR has a donor–acceptor–donor (DAD) and a donor–acceptor (DA) binding site, and cocrystallization experiments ... -
Solid-state transformations of sulfathiazole polymorphs: The effects of milling and humidity
Hu, Yun; Erxleben, Andrea; Hodnett, Kieran; Li, Boyan; McArdle, Patrick; Rasmuson, Åke C.; Ryder, Alan G. (American Chemical Society, 2013-07-11)The effect of milling on the transitions of sulfathiazole polymorphs in the absence and presence of solvent and excipients was monitored by X-ray powder diffraction (XRPD), attenuated total reflectance infrared (ATR-IR), ... -
Spontaneous solid-state cocrystallization of caffeine and urea
MacFhionnghaile, Pól; Crowley, Clare M.; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2020-01-09)The cocrystallization of caffeine and urea was monitored and analyzed using infrared spectroscopy, Raman microscopy, scanning electron microscopy, differential scanning calorimetry, and X-ray diffraction. The caffeine-urea ... -
Stereoselective epimerizations of glycosyl thiols
Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V. (American Chemical Society, 2017-10-17)Glycosyl thiols are widely used in stereoselective S-glycoside synthesis. Their epimerization from 1,2-trans to 1,2-cis thiols (e.g., equatorial to axial epimerization in thioglucopyranose) was attained using TiCl4, while ... -
Sulfamerazine: Understanding the influence of slip planes in the polymorphic phase transformation through X-ray crystallographic studies and ab initio lattice dynamics
Pallipurath, Anuradha R.; Skelton, Jonathan M.; Warren, Mark R.; Kamali, Naghmeh; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2015-08-28)Understanding the polymorphism exhibited by organic active-pharmaceutical ingredients (APIs), in particular the relationships between crystal structure and the thermodynamics of polymorph stability, is vital for the ... -
Supramolecular stacking in a high Z′ calix[8]arene–porphyrin assembly
Alex, Jimi M.; McArdle, Patrick; Crowley, Peter B. (Royal Society of Chemistry, 2019-11-15)A co-crystal structure of sulfonato-calix[8]arene (sclx8) and trimethylanilinium-porphyrin (tmap) at 1.0 Å resolution is reported. The oppositely charged macrocycles formed an alternating stacked assembly. Crystal packing ... -
Tailoring cocrystal and salt formation and controlling the crystal habit of diflunisal
Pallipurath, Anuradha R.; Civati, Francesco; Eziashi, Magdalene; Omar, Elaf; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2016-09-26)Crystal habit modification of the drug diflunisal that normally grows into extremely thin, long needles has been achieved by breaking the stacking effect with the help of coformers. Eight new cocrystals are reported, along ... -
Tandem reactions via Barton Esters with intermolecular addition and vinyl radical substitution onto indole
Coyle, Robert; McArdle, Patrick; Aldabbagh, Fawaz (American Chemical Society, 2014-05-16)A one-pot initiator-free Barton ester decomposition with tandem radical addition onto alkyl propiolates or phenylacetylene with aromatic substitution of the resultant vinyl radical allows convenient access to new 9-substituted ... -
Unexpected effects of catalytic amounts of additives on crystallization from the gas phase: Depression of the sublimation temperature and polymorph control
Kamali, Naghmeh; Erxleben, Andrea; McArdle, Patrick (American Chemical Society, 2016-04-11)Sublimation of carbamazepine, piracetam, diflunisal, and p-minobenzoic acid is enhanced by the presence of additives. Temperature reductions and polymorph control have been observed. Sublimation of carbamazepine containing ... -
Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives
O'Malley, Ciaran; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick (Royal Society of Chemistry, 2020-04-15)Herein, it is shown for the first time that cocrystals can be grown by cosublimation with unprecedented morphology control using tailor made additives. Multicrystalline sea-urchin motifs and solids that look like candy-floss ... -
Use of sublimation catalysis and polycrystalline powder templates for polymorph control of gas phase crystallization
Kamali, Naghmeh; O’Malley, Ciaran; Mahon, Mary F.; Erxleben, Andrea; McArdle, Patrick (American Chemical Society, 2018-05-08)In pursuit of a solvent-free green alternative to solution-based processes, we have applied the combined use of catalytic additives and polycrystalline powder templates for polymorph control of gas phase crystallization ... -
The very different effect of water on nucleation, crystallization, and hydrate stability of zingerone and vanillate esters
Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2020-01-09)Vanillin and vanillate esters are widely used as flavorings in the food industry, and the vanillin derivative zingerone is one of the compounds found in the spice ginger. Neither the growth of single crystals of zingerone ...