@article{sui_feng_ankeny_vinueza_2022, title={Quantification of docusate antimicrobial finishing after simulated landfill degradation via tandem mass spectrometry and QuEChERS extraction}, volume={10}, ISSN={["1759-9679"]}, url={https://doi.org/10.1039/D2AY01153K}, DOI={10.1039/D2AY01153K}, abstractNote={Quantification of silver docusate antimicrobial finishing in soil by tandem mass spectrometry after QuEChERS extraction.}, journal={ANALYTICAL METHODS}, author={Sui, Xinyi and Feng, Chengcheng and Ankeny, Mary and Vinueza, Nelson R.}, year={2022}, month={Oct} }
 @article{feng_sui_ankeny_vinueza_2021, title={Identification and quantification of CI Reactive Blue 19 dye degradation product in soil}, volume={137}, ISSN={["1478-4408"]}, url={https://doi.org/10.1111/cote.12527}, DOI={10.1111/cote.12527}, abstractNote={AbstractLandfills are becoming the most common way to dispose textiles. The presence of different types of dyes and finishes on textiles fabrics can become an important source of pollution during the degradation process, due to the fact that these chemicals can leach to the soil. The biodegradation of dyes from dyed fabrics is not fully understood, and what can leach into the soil can be more toxic. In this study, cotton fabrics were dyed with CI Reactive Blue 19 (RB19) and biodegraded in soil in a laboratory‐controlled environment for a 90‐day time interval by using the ASTM D 5988‐18 method. A modified QuEChERS (quick, easy, cheap, effective, rugged, and safe) extraction method, in combination with liquid chromatography‐mass spectrometry (LC‐MS) analysis, was applied to soil containing RB19 after the degradation process. An unknown degradation product, with a mass‐to‐charge ratio (m/z) of 393, found in the soil was characterised and confirmed, via high‐resolution MS and tandem MS, to be CI Acid Blue 25 (AB25). To quantify the confirmed unknown product extracted from the degraded soil sample, a quantitation method was developed using high‐performance liquid chromatography‐diode array detector‐mass spectrometry (HPLC‐DAD‐MS). The quantitation method provided excellent linearity (R2 = 0.9990 ± 0.0006), accuracy (mean percentage error = 5.17 ± 1.88), precision (mean percentage coefficient of variation = 4.73 ± 4.16), and sensitivity (lower limit of quantitation = 1.29 ± 0.47 µg/mL) for nine concentrations ranging from 0.5 to 40 µg/mL.}, number={3}, journal={COLORATION TECHNOLOGY}, publisher={Wiley}, author={Feng, Chengcheng and Sui, Xinyi and Ankeny, Mary Ann and Vinueza, Nelson R.}, year={2021}, month={Jun}, pages={251–258} }
 @article{liu_sui_terán_chapman_ankeny_vinueza_2021, title={Separation and identification of commercial reactive dyes with hydrophilic interaction liquid chromatography and quadrupole time‐of‐flight mass spectrometry}, volume={137}, ISSN={1472-3581 1478-4408}, url={http://dx.doi.org/10.1111/cote.12539}, DOI={10.1111/cote.12539}, abstractNote={AbstractThe separation and identification of colourants from aqueous matrices could potentially benefit the coloration industry. In this work, we report a new method that combines hydrophilic interaction liquid chromatography (HILIC) and high‐resolution mass spectrometry (HRMS) for reactive dye separation and identification without employing ion‐pairing agents. The conditions outlined allowed the successful separation of a mixture of four commercial reactive dyes in an aqueous solution, which consisted of CI Reactive Black 5, CI Reactive Orange 35, CI Reactive Blue 49 and CI Reactive Red 31. To further demonstrate the feasibility of this new method, we conducted deeper research into the analysis of CI Reactive Red 31 and its hydrolysis products. Based on the high efficiency of HILIC for polar compounds, and its combination with HRMS, we were able to identify several isomers of CI Reactive Red 31 and its derivatives, which were further characterised by tandem mass spectrometry. This method could potentially benefit chemical evaluations in dye applications, including synthetic processes, because it provides reliable results and simplified operation conditions compared with common traditional high‐performance liquid chromatography methods.}, number={4}, journal={Coloration Technology}, publisher={Wiley}, author={Liu, Yixin and Sui, Xinyi and Terán, Julio E. and Chapman, Lisa P. and Ankeny, Mary and Vinueza, Nelson R.}, year={2021}, month={Mar}, pages={407–417} }
 @article{umbuzeiro_morales_vacchi_albuquerque_szymczyk_sui_vinueza_freeman_2021, title={A promising Ames battery for mutagenicity characterization of new dyes}, volume={62}, ISSN={["1098-2280"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85097440491&partnerID=MN8TOARS}, DOI={10.1002/em.22417}, abstractNote={AbstractWhen testing new products, potential new products, or their impurities for genotoxicity in the Ames test, the quantity available for testing can be a limiting factor. This is the case for a dye repository of around 98,000 substances the Max Weaver Dye Library (MWDL). Mutagenicity data on dyes in the literature, although vast, in several cases is not reliable, compromising the performance of the in silico models. In this report, we propose a strategy for the generation of high‐quality mutagenicity data for dyes using a minimum amount of sample. We evaluated 15 dyes from different chemical classes selected from 150 representative dyes of the MWDL. The purity and molecular confirmation of each dye were determined, and the microplate agar protocol (MPA) was used. Dyes were tested at the limit of solubility in single and concentration‐response experiments using seven strains without and with metabolic activation except for anthraquinone dyes which were tested with eight strains. Six dyes were mutagenic. The most sensitive was YG1041, followed by TA97a > TA98 > TA100 = TA1538 > TA102. YG7108 as well as TA1537 did not detect any mutagenic response. We concluded that the MPA was successful in identifying the mutagenicity of dyes using less than 12.5 mg of sample. We propose that dyes should be tested in a tiered approach using YG1041 followed by TA97a, TA98, and TA100 in concentration‐response experiments. This work provides additional information on the dye mutagenicity database available in the literature.}, number={1}, journal={ENVIRONMENTAL AND MOLECULAR MUTAGENESIS}, author={Umbuzeiro, Gisela A. and Morales, Daniel A. and Vacchi, Francine I and Albuquerque, Anjaina F. and Szymczyk, Malgorzata and Sui, Xinyi and Vinueza, Nelson and Freeman, Harold S.}, year={2021}, month={Jan}, pages={52–65} }
 @article{terán_millbern_shao_sui_liu_demmler_vinueza_2020, title={Characterization of synthetic dyes for environmental and forensic assessments: A chromatography and mass spectrometry approach}, volume={44}, ISSN={1615-9306 1615-9314}, url={http://dx.doi.org/10.1002/jssc.202000836}, DOI={10.1002/jssc.202000836}, abstractNote={AbstractDyes have become common substances since they are employed in mostly all objects surrounding our daily activities such as clothing and upholstery. Based on the usage and disposal of these objects, the transfer of the dyes to other media such as soil and water increases their prevalence in our environment. However, this prevalence could help to solve crimes and pollution problems if detection techniques are proper. For that reason, the detection and characterization of dyes in complex matrices is important to determine the possible events leading to their deposition (natural degradation, attempts of removal, possible match with evidence, among others).Currently, there are several chromatographic and mass spectrometric approaches used for the identification of these organic molecules and their derivatives with high specificity and accuracy. This review presents current chromatographic and mass spectrometric methods that are used for the detection and characterization of disperse, acid, basic, and reactive dyes, and their derivatives.}, number={1}, journal={Journal of Separation Science}, publisher={Wiley}, author={Terán, Julio E and Millbern, Zoe and Shao, Dongyan and Sui, Xinyi and Liu, Yixin and Demmler, Morgan and Vinueza, Nelson R}, year={2020}, month={Nov}, pages={387–402} }
 @article{feng_sultana_sui_chen_brooks_ankeny_vinueza_2020, title={High-resolution mass spectrometry analysis of reactive dye derivatives removed from biodegraded dyed cotton by chemical and enzymatic methods}, volume={7}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85089600855&partnerID=MN8TOARS}, DOI={10.14504/ajr.7.S1.2}, abstractNote={ The purpose of this study was to determine and characterize the biodegradation of reactive dyes on cotton jersey fabrics buried in soil. Four commonly-used reactive dyes, C.I. Reactive Black 5 (RBlk5), C.I. Reactive Red 198 (RR198), C.I. Reactive Blue 49 (RB49), and C.I. Reactive Orange 35 (RO35), were used in this study. Degradation products were characterized and proposed based on high-performance liquid chromatography (HPLC) coupled with high-resolution mass spectrometry (HRMS). A chemical method and an enzymatic digestion were developed and used to remove the reactive dye from the control and degraded cotton fabrics. Hydrolyzed reactive dyes and reactive dyes having cellobiose units were synthesized and used as standards for comparison in this study. The possible degradation mechanism pathways of the reactive dyes bonded to cotton fabrics depends on the chemical structure of each dye. }, number={Special Issue 1}, journal={AATCC Journal of Research}, author={Feng, C. and Sultana, N. and Sui, X. and Chen, Y. and Brooks, E. and Ankeny, M.A. and Vinueza, N.R.}, year={2020}, pages={9–18} }
 @article{sui_terán_feng_wustrow_smith_vinueza_2020, title={Quantification of anthracene after dermal absorption test <i>via</i> APCI-tandem mass spectrometry}, volume={12}, ISSN={1759-9660 1759-9679}, url={http://dx.doi.org/10.1039/D0AY00486C}, DOI={10.1039/D0AY00486C}, abstractNote={An analytical method for the detection and quantification of anthracene from dermal samples was developed by using Atmospheric Pressure Chemical Ionization-Tandem Mass Spectrometry (APCI-MS/MS).}, number={22}, journal={Analytical Methods}, publisher={Royal Society of Chemistry (RSC)}, author={Sui, Xinyi and Terán, Julio E. and Feng, Chengcheng and Wustrow, Killian and Smith, Caroline J. and Vinueza, Nelson R.}, year={2020}, pages={2820–2826} }
 @article{sui_feng_chen_sultana_ankeny_vinueza_2020, title={Detection of reactive dyes from dyed fabrics after soil degradation via QuEChERS extraction and mass spectrometry}, volume={12}, url={http://dx.doi.org/10.1039/c9ay01603a}, DOI={10.1039/c9ay01603a}, abstractNote={In this study, reactive dye degradation products after landfilling were extracted by a modified QuEChERS extraction method and detected by high-resolution QTOF mass spectrometry.}, number={2}, journal={Analytical Methods}, author={Sui, X. and Feng, C. and Chen, Y. and Sultana, N. and Ankeny, M. and Vinueza, N.R.}, year={2020}, pages={179–187} }
 @article{umbuzeiro_albuquerque_vacchi_szymczyk_sui_aalizadeh_ohe_thomaidis_vinueza_freeman_2019, title={Towards a reliable prediction of the aquatic toxicity of dyes}, volume={31}, ISSN={["2190-4715"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-85074502142&partnerID=MN8TOARS}, DOI={10.1186/s12302-019-0258-1}, abstractNote={Abstract
              
                Background
                The Max Weaver Dye Library (MWDL) from North Carolina State University is a repository of around 98,000 synthetic dyes. Historically, the uses for these dyes included the coloration of textiles, paper, packaging, cosmetic and household products. However, little is reported about their ecotoxicological properties. It is anticipated that prediction models could be used to help provide this type information. Thus, the purpose of this work was to determine whether a recently developed QSAR (quantitative structure–activity relationships) model, based on ACO-SVM techniques, would be suitable for this purpose.
              
              
                Results
                We selected a representative subset of the MWDL, composed of 15 dyes, for testing under controlled conditions. First, the molecular structure and purity of each dye was confirmed, followed by predictions of their solubility and pKa to set up the appropriate test conditions. Only ten of the 15 dyes showed acute toxicity in Daphnia, with EC50 values ranging from 0.35 to 2.95 mg L−1. These values were then used to determine the ability of the ACO-SVM model to predict the aquatic toxicity. In this regard, we observed a good prediction capacity for the 10 dyes, with 90% of deviations within one order of magnitude. The reasons for this outcome were probably the high quality of the experimental data, the consideration of solubility limitations, as well as the high purity and confirmed chemical structures of the tested dyes. We were not able to verify the ability of the model to predict the toxicity of the remaining 5 dyes, because it was not possible to determine their EC50.
              
              
                Conclusions
                We observed a good prediction capacity for the 10 of the 15 tested dyes of the MWDL, but more dyes should be tested to extend the existing training set with similar dyes, to obtain a reliable prediction model that is applicable to the full MWDL.
              }, number={1}, journal={ENVIRONMENTAL SCIENCES EUROPE}, author={Umbuzeiro, Gisela de A. and Albuquerque, Anjaina F. and Vacchi, Francine I and Szymczyk, Malgorzata and Sui, Xinyi and Aalizadeh, Reza and Ohe, Peter C. and Thomaidis, Nikolaos S. and Vinueza, Nelson R. and Freeman, Harold S.}, year={2019}, month={Dec} }