@article{marshburn_ashley_curtin_sultana_liu_vinueza_ison_jakubikova_2021, title={Are all charge-transfer parameters created equally? A study of functional dependence and excited-state charge-transfer quantification across two dye families}, volume={8}, ISSN={["1463-9084"]}, url={https://doi.org/10.1039/D1CP03383B}, DOI={10.1039/d1cp03383b}, abstractNote={Twenty dyes from the Max Weaver Dye Library were used to benchmark six commonly used DFT functionals to understand the interplay between the errors in the calculated excitation energies and the degree of charge transfer character of the excitations.}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, publisher={Royal Society of Chemistry (RSC)}, author={Marshburn, Richard Drew and Ashley, Daniel C. and Curtin, Gregory M. and Sultana, Nadia and Liu, Chang and Vinueza, Nelson R. and Ison, Elon A. and Jakubikova, Elena}, year={2021}, month={Aug} }
 @article{sultana_williams_ankeny_vinueza_2019, title={Degradation studies of CI Reactive Blue 19 on biodegraded cellulosic fabrics via liquid chromatography-photodiode array detection coupled to high resolution mass spectrometry}, volume={135}, ISSN={["1478-4408"]}, DOI={10.1111/cote.12440}, abstractNote={Abstract}, number={6}, journal={COLORATION TECHNOLOGY}, author={Sultana, Nadia and Williams, Kelsey and Ankeny, Mary and Vinueza, Nelson R.}, year={2019}, month={Dec}, pages={475–483} }
 @article{sultana_liu_szymczyk_freeman_vinueza_2018, title={Dimerised heterobifunctional reactive dyes. Part 1: characterisation using quadrupole time-of-flight mass spectrometry}, volume={134}, ISSN={1472-3581}, url={http://dx.doi.org/10.1111/cote.12368}, DOI={10.1111/cote.12368}, abstractNote={As part of an approach to enhancing the efficiency of reactive dye adsorption on cellulosic fibres at low electrolyte levels, commercially available dyes were dimerised using hexamethylenediamine (HMDA) as a linking group. A key component of this work involved using high‐resolution mass spectrometry (HRMS) to characterise a group of polysulphonated heterobifunctional monochlorotriazine/vinyl sulphone reactive dyes (CI Reactive Yellow 176, CI Reactive Red 239, CI Reactive Blue 221, CI Reactive Red 194 and CI Reactive Blue 222) and their dimeric analogs. In this respect, dimeric dye ions of differently charged states were observed using HRMS‐negative electrospray ionisation in combination with quadrupole time‐of‐flight mass spectrometry. For example, HRMS showed that the HMDA‐linked reaction products were mixtures of the target (unhydrolysed) dimers, hydrolysed dimers, monoreacted products and hydrolysed unreacted dyes, with CI Reactive Yellow 176 and CI Reactive Red 194 producing the desired unhydrolysed dimers.}, number={6}, journal={Coloration Technology}, publisher={Wiley}, author={Sultana, Nadia and Liu, Yixin and Szymczyk, Malgorzata and Freeman, Harold S. and Vinueza, Nelson R.}, year={2018}, month={Aug}, pages={470–477} }
 @article{kuenemann_szymczyk_chen_sultana_hinks_freeman_williams_fourches_vinueza_2017, title={Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis}, volume={8}, ISSN={["2041-6539"]}, DOI={10.1039/c7sc00567a}, abstractNote={The Max Weaver Dye Library is presented to the scientific community with a cheminformatics approach to enhance research opportunities with this unique collection of ∼98 000 vials of custom-made dyes.}, number={6}, journal={CHEMICAL SCIENCE}, author={Kuenemann, Melaine A. and Szymczyk, Malgorzata and Chen, Yufei and Sultana, Nadia and Hinks, David and Freeman, Harold S. and Williams, Antony J. and Fourches, Denis and Vinueza, Nelson R.}, year={2017}, month={Jun}, pages={4334–4339} }