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Peer-Reviewed Articles

A collection of peer-reviewed articles that referenced or described ACD/Labs software over the past 2 years. For older articles, please use our resource search here.

Showing 1-30 of 126

  1. E.F. Boffo, et al. (2022). Chemometrics applied to 1H NMR and UV–Vis spectroscopy as a way to evaluate solid-liquid extraction of leaves of artichoke. Food Chem., 377, 131979. https://doi.org/10.1016/j.foodchem.2021.131979

  2. A.V. Shibaev, et al. (2022). Double dynamic hydrogels formed by wormlike surfactant micelles and cross-linked polymer. J. Colloid Interface Sci., 611, 46-60. https://doi.org/10.1016/j.jcis.2021.11.198

  3. E.D.Tsochatzis, et al. (2022). Chemical testing of mechanically recycled polyethylene terephthalate for food packaging in the European Union. Resour. Conserv. Recycl., 179, 106096. https://doi.org/10.1016/j.resconrec.2021.106096

  4. T.M. Grant, et al. (2022). Towards eco-friendly marine antifouling biocides—Nature inspired tetrasubstituted 2,5-diketopiperazines. Sci. Total Environ., 812, 152487. https://doi.org/10.1016/j.scitotenv.2021.152487

  5. K. Gromek, et al. (2022). Evaluation of the predictivity of Acute Oral Toxicity (AOT) structure-activity relationship models. Regul. Toxicol. Pharmacol., 129, 105109. https://doi.org/10.1016/j.yrtph.2021.105109

  6. T.A. Palankoev, et al. (2022). Acetone reaction pathways as a model bio-oxygenate in a hydrocarbon medium on zeolite Y and ZSM-5 catalysts: Isotope labeling study. Chem. Eng. J., 431(3), 134228. https://doi.org/10.1016/j.cej.2021.134228

  7. M. Hee Lee, et al. (2022). A randomized clinical trial evaluating the effect of empagliflozin on triglycerides in obese adults: Role of visceral fat. Metabolism, 13, 100161. https://doi.org/10.1016/j.metop.2021.100161

  8. B. Van de Voorde. (2022). Effect of extrusion and fused filament fabrication processing parameters of recycled poly(ethylene terephthalate) on the crystallinity and mechanical properties. Addit. Manuf., 50. https://doi.org/10.1016/j.addma.2021.102518

  9. A.N. Manin, et al. (2022). Influence of ionization and position of substituents on the solubility, solvation and transfer processes: A thermodynamic study of hydroxybenzamide and acetamidobenzoic acid isomers. J. Mol. Liq., 347, 118320. https://doi.org/10.1016/j.molliq.2021.118320

  10. P.N. Kariuki, et al. (2022). The combined effect of thermal-acid hydrolysis, periodate oxidation, and iodine species removal on the properties of native tapioca (Manihot esculenta Crantz) starch. Int. J. Biol. Macromol., 196, 107-119. https://doi.org/10.1016/j.ijbiomac.2021.11.211

  11. M.M. Aparicio-Muriana, et al. (2022). Multiclass cyanotoxin analysis in reservoir waters: Tandem solid-phase extraction followed by zwitterionic hydrophilic interaction liquid chromatography-mass spectrometry. Talanta, 237. https://doi.org/10.1016/j.talanta.2021.122929

  12. J. Schripsema, et al. (2022). Differential NMR and chromatography for the detection and analysis of adulteration of vetiver essential oils. Talanta, 237. https://doi.org/10.1016/j.talanta.2021.122928

  13. E.V. Barros, et al. (2022). Isolation of tetrameric acids from naphthenates deposits and characterization by high-resolution analytical techniques. Fuel, 308. https://doi.org/10.1016/j.fuel.2021.122065

  14. T.K. Karami, et al. (2022). Eyes on Lipinski's Rule of Five: A New "Rule of Thumb" for Physicochemical Design Space of Ophthalmic Drugs. J. Ocul. Pharmacol. Ther., In press. https://doi.org/10.1089/jop.2021.0069

  15. V.B. Chandana Kumari, et al. (2022). Chapter 5 - Chromatographic techniques: types, principles, and applications. Analytical Techniques in Biosciences, 73-101. https://doi.org/10.1016/B978-0-12-822654-4.00013-0

  16. P. Hariyono, et al. (2022). 2-Phenoxyacetamide derivatives as SARS-CoV-2 main protease inhibitor: In silico studies. Results in Chemistry, 4, 100263. https://doi.org/10.1016/j.rechem.2021.100263

  17. A. Albishri, et al. (2021). Determination of the aqueous pKa of very insoluble drugs by capillary electrophoresis. Internal standards for methanol-water extrapolation. J. Chromatogr. A, In press, 462795. https://doi.org/10.1016/j.chroma.2021.462795

  18. M.H. Keylor, et al. (2021). Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J. Med. Chem., In press. https://doi.org/10.1021/acs.jmedchem.1c01968

  19. P. Dahm, et al. (2021). Phase I-metabolism studies of the synthetic cannabinoids PX-1 and PX-2 using three different in vitro models. Forensic Toxicol., In press. https://doi.org/10.1007/s11419-021-00606-6

  20. I. Fernandes Soares, et al. (2021). Effects of monovalent and divalent cations on the rheology of organic acid laden interfaces. J. Dispers. Sci. Technol., 2021, 1-13. https://doi.org/10.1080/01932691.2021.2017296

  21. S. Sinha, et al. (2021). Determination of Abraham model solute descriptors for hippuric acid from measured molar solubilities in several organic mono-solvents of varying polarity and hydrogen-bonding ability. Phys. Chem. Liquids, In press. https://doi.org/10.1080/00319104.2021.2018692

  22. R. Kumar, et al. (2021). Comparison of sorption models to predict analyte loss during sample filtration and evaluation of the impact of filtration on data quality. Sci. Total Environ., In press, 152624. https://doi.org/10.1016/j.scitotenv.2021.152624

  23. L.C. Brandão-Lima, et al. (2021). Clay Mineral Minerals as a Strategy for Biomolecule Incorporation: Amino Acids Approach. Materials, 15(1), 64. https://doi.org/10.3390/ma15010064

  24. N.A. Charoo, et al. (2021). Using Metabolite Data to Develop Patient Centric Specification for Amide Impurity in Vildagliptin Tablets. Sci. Pharm., 90(1), 1. https://doi.org/10.3390/scipharm90010001

  25. G.L. Losacco, et al. (2021). Enantioselective UHPLC Screening Combined with In Silico Modeling for Streamlined Development of Ultrafast Enantiopurity Assays. Anal. Chem., In press. https://doi.org/10.1021/acs.analchem.1c04585

  26. S.L. Gould, et al. (2021). The potential for adverse effects in fish exposed to antidepressants in the aquatic environment. Environ. Sci. Technol., 55(24), 16299-16312. https://doi.org/10.1021/acs.est.1c04724

  27. K. Ciura, et al. (2021). Prediction of the chromatographic hydrophobicity index with immobilized artificial membrane chromatography using simple molecular descriptors and artificial neural networks. J. Chromatogr. A, 1660. https://doi.org/10.1016/j.chroma.2021.462666

  28. Łukasz Kurach, et al. (2021). Etazene induces developmental toxicity in vivo Danio rerio and in silico studies of new synthetic opioid derivative. Sci. Rep., 11, 24269. https://doi.org/10.1038/s41598-021-03804-9

  29. EFSA, et al. (2021). Evaluation of confirmatory data following the Article 12 MRL review for metalaxyl-M. EFSA Journal, 19(12), e06996. https://dx.doi.org/10.2903%2Fj.efsa.2021.6996

  30. T.C. Chen, et al. (2021). The Monoterpenoid Perillyl Alcohol: Anticancer Agent and Medium to Overcome Biological Barriers. Pharmaceutics, 13(12), 2167. https://doi.org/10.3390/pharmaceutics13122167