S Ovalle, C Malardier‐Jugroot, "Modulating the oxygen affinity of porphyrins with metals, ligands, and functional groups: A DFT study", Journal of Computational Chemistry 46 (1), e27505, 2025

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EB Aucoin, E Skapinker, AM Yaish, Y Li, HL Kombargi, D Jeyaraj, P Garg, Nicole Mendonza, Cecile Malardier-Jugroot, Myron R Szewczuk"Glycosyl Mobile Radical Structures of Folic Acid Receptors Impact the Internalization of Functionalized Folate Amphiphilic Alternating Copolymer in Cancer Cells", Receptors 3 (4), 457-473, 2024

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M McTaggart, C Malardier-Jugroot "The role of helicity in PFAS resistance to degradation: DFT simulation of electron capture and defluorination", Physical Chemistry Chemical Physics 26 (5), 4692-4701, 2024

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S Ovalle, C Malardier-Jugroot "Choice of functional for iron porphyrin density functional theory studies: Geometry, spin-state, and binding energy analysis", Computational and Theoretical Chemistry 1213, 113726, 2022

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M McTaggart, X Li, M Groves, V Shah, M Jugroot, C Malardier-Jugroot "Impact of dimensionality and confinement on reaction dynamics and thermodynamics within 1D and 2D nanostructures, The Journal of Chemical Physics 154 (17), 2021

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A DeCarlo, C Malardier-Jugroot and MR Szewczuk "Folic acid-functionalized nanomedicine: Folic acid conjugated copolymer and folate receptor interactions disrupt receptor functionality resulting in dual therapeutic anti-cancer potential in breast and prostate cancer", Bioconjugate Chemistry, 32, 3, 512–522, 2021

 

M. Sambi, A. DeCarlo, C. Malardier-Jugroot and M. R. Szewczuk “Next Generational Multimodality of Nanomedicine  Therapy. Size and Structure Dependence of Folic Acid-Conjugated Copolymers Actively Target Cancer Cells in Disabling Cell Division and Inducing Apoptosis”, Cancers, 11 (11), 1698, 2019.

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X. Li, M. Sambi, A. DeCarlo, S. Burov, R. Akasov, E. Markvicheva, C. Malardier-Jugroot, M. Szewczuk,  “Functionalized folic acid-conjugated amphiphilic alternating copolymer actively targets 3D multicellular tumour spheroids and delivers the hydrophobic drug to the inner core”, Nanomaterials, 8(8), 588, 2018.

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V. Shah, M. Jugroot and C. Malardier-Jugroot, “Mediating gold nanoparticle growth in nanoreactors: role of template-metal interactions and external energy”, Materials Chemistry and Physics, 196, 92-102, 2017.

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M Sambi, B Qorri, C Malardier-Jugroot and M Szewczuk, “Advancements in polymer science:‘Smart’drug delivery systems for the treatment of cancer”,  MOJ Poly Sci 1(3): 16, 2017.

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C. Malardier-Jugroot, “From Surface Sizing Agents To Nanotechnology”, J-FOR, 5, 4, 2016.

X. Li, M. R Szewczuk, C. Malardier-Jugroot, “Folic acid-conjugated amphiphilic alternating copolymer as a new active tumor targeting drug delivery platform”  Drug Design, Dvlpt and Therapy, 10, 4101, 2016.

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D.J. Durbin, N.L. Allan, C. Malardier-Jugroot, “Molecular hydrogen storage in fullerenes – A dispersion-corrected density functional theory study”,  International Journal of Hydrogen Energy, 41, 30,13116, 2016.

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X. Li, M. McTaggart, C Malardier-Jugroot, “Synthesis and characterization of a pH responsive folic acid functionalized polymeric drug delivery system”, Biophysical Chemistry, 214, 17, 2016.

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M. McTaggart, M. Jugroot and C. Malardier-Jugroot, “Self-assembled biomimetic nanoreactors I: Polymeric template”, Chemical Physics Letters, 636, 216, 2015.

 

M. McTaggart, M. Jugroot and C. Malardier-Jugroot, “Self-assembled biomimetic nanoreactors II: Noble metal active centres”, Chemical Physics Letters, 636, 221, 2015.

 

S. Sharma, M. Groves, J.  Fennell, N. Soin, S. Horswell, C. Malardier-Jugroot, “Carboxyl Group Enhanced CO Tolerant GO Supported Pt Catalysts: DFT and Electrochemical Analysis”, Chemistry of Materials, 26 (21), 2014.

 

M. Groves, C. Malardier-Jugroot and M. Jugroot, “ Environmentally friendly synthesis of supportless Pt based nanoreactors in aqueous solution”, Chemical Physics Letters, 612, 309, 2014.