PUBLICACIONES PERIODO 2024 – 2020
2024
Ono, A. Cmolik, C. R. Bethel, Y. Ishii, S. I. Drusin, D. M. Moreno, A. J. Vila, R. A. Bonomo, M. F. Mojica. “The interaction of the azetidine thiazole side chain with the active site loop (ASL) 3 drives the evolution of IMP metallo-β-lactamase against tebipenem” Antimicrob. Agents Chemother., 2024. 0:e00687-24. https://doi.org/10.1128/aac.00687-24
Dali, F. Sebastiani, T. Gabler, G. Frattini, D. M. Moreno, D. A. Estrin, M. Becucci, Hofbauer, G. Smulevich*. “Proximal ligand tunes active site structure and reactivity in bacterial L. monocytogenes coproheme ferrochelatase”. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2024, Volume 313,
https://doi.org/10.1016/j.saa.2024.124120
Villamil, M. A. Rossi, M. F. Mojica, P. Hinchliffe, V. Martínez, Valerie Castillo, C. Saiz, C. Banchio, M. A. Macías, J. Spencer, R. A. Bonomo, A. Vila,* D. M. Moreno,*and G. Mahler*. “Rational Design of Benzobisheterocycle Metallo-β-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes”of Medicinal Chemistry, 2024, https://doi.org/10.1021/acs.jmedchem.3c02209
Ono, M. F. Mojica*, C. R. Bethel, Y. Ishii, S. I. Drusin, D. M. Moreno, A. J. Vila and A. Bonomo* “Structural role of K224 in taniborbactam inhibition of NDM-1”, Antimicrob. Agents Chemother., 2024, 68:e01332-23, https://doi.org/10.1128/aac.01332-23
2023
I. Drusin, C. Le Terrier, L. Poirel, R. A. Bonomo, A. J. Vila*, D. M. Moreno “Structural basis of metallo-β-lactamase resistance to taniborbactam”, Antimicrob. Agents Chemother., 2023, 68:e01168-23, https://doi.org/10.1128/aac.01168-23
Cordisco, M. I. Zanor, D. M. Moreno and D. O. Serra “Selective inhibition of the amyloid matrix of Escherichia coli biofilms by a bifunctional microbial metabolite”, npj Biofilms and Microbiomes, 2023, 9, Article number: 81 https://doi.org/10.1038/s41522-023-00449-6
Cortés Rodríguez, F. Dualde, P. Massiot, G.o Frattini, D. M. Moreno and L. A. Abriata* “Updates on moleculARweb, the Swiss Portal for Chemistry and Structural Biology Education Using Augmented and now also Virtual Reality”, Chimia, 2023, 77, 264–265 https://doi.org/10.2533/chimia.2023.264
Ramos Marchena, J. M.; Terrestre, G. O.; Simonetti, S. O.; Pellegrinet, S. C. Detours in the Development of the Organocatalytic Diels-Alder Reactions of Vinylboronic Compounds. A Dead End? Eur. J. Org. Chem., 2023, 26, e202201307. Part of the joint “Boron Chemistry” Special Collection. This article also appears in: Hot Topic: Organocatalysis, 10.1002/ejoc.202201307. https://doi.org/10.1002/ejoc.202201307
Photocatalytic C-H Functionalization of Nitrogen Heterocycles Mediated by a Redox Active Protecting Group. M.G. Pizzio, E.G. Mata, P. Dauban, T. Saget Eur. J. Org. Chem., 2023, e202300616
InCl3-Catalyzed intramolecular Carbonyl−Olefin Metathesis. M.G. Pizzio, Z.B. Cenizo, L. Méndez, AM. Sarotti, E.G. Mata Organic & Biomolecular Chemistry, 2023, 21, 8141-8151. DOI: 10.1039/d3ob01170d.
Elimination of Arsenic Using Sorbents Derived from Chitosan and Iron Oxides, Applying Factorial Designs
Inorganics. Marianela Batistelli; Julián Bultri; Mayra Hernandez Trespalacios; María Florencia Mangiameli; Lina Gribaudo; Sebastián Bellú; María Inés Frascaroli; Juan Carlos González. 2023-11-01. DOI: 10.3390/inorganics1111042
Acid-Promoted Iso-Nazarov Cyclization of Conjugated trans-Dienones and Dienals for the Synthesis of 2-Cyclopentenones. La-Venia, A.; Passaglia, L.; Gurgone, L.; Gandon, V.; Riveira, M. J. J. Org. Chem. 2022, 87, 13469–13479. https://doi.org/10.1021/acs.joc.2c01783
Synthetic Approaches to cis-THC, a Promising Scaffold in Medicinal Chemistry. Gurgone, L.; La-Venia, A.; Caprioglio, D.; Riveira, M. J. Front. Nat. Prod. 2023, 2, doi.org/10.3389/fntpr.2023.1225627. https://doi.org/10.3389/fntpr.2023.1225627
Two sides of the same coin: Kernel partial least-squares (KPLS) for linear and non-linear multivariate calibration. A tutorial, Allegrini, F, Olivieri, AC, Talanta Open 7 (2023) 100235. https://doi.org/10.1016/j.talo.2023.100235
Spectral pre-processing and non-linear calibration with convolutional kernel partial least-squares. Teaching new tricks to an old dog, Rossi, GB, Lozano, VA, Olivieri, AC, Chemom. Intell. Lab. Syst. 233 (2023) 104736. https://doi.org/10.1016/j.chemolab.2022.104736
Simultaneous quantification of Zr, Mo, U, Np and Pu in technological solutions of spent nuclear fuel reprocessing with a potentiometric multisensor system, Savosina, J, Agafonova-Moroz, M, Naumov, A, Nikolaev, A, Lumpov, A, Babain, V, Legin, A, Olivieri, AC, Parastar, H, Kirsanov, D, Sens. Actuators B Chem. 380 (2023) 133315. https://doi.org/10.1016/j.snb.2023.133315
Aging of malbec wines from Mendoza and California: Evolution of volatile composition, Pellegrino Vidal, R, Boulton, RB, Buscema, F, Olivieri, AC, Am. J. Enol. Vitic. 74 (2023) 0740019. DOI:10.5344/ajev.2023.22059
An upgrade of MVC2, a MATLAB graphical user interface for second-order multivariate calibration: beyond trilinear models, Chiappini1, FA, Muñoz de la Peña, A, Goicoechea, HC, Olivieri, AC, Chemom. Intell. Lab. Syst. 237 (2023) 104814. https://doi.org/10.1016/j.chemolab.2023.104814
A new constraint to model background signals when processing chromatographic-spectral second-order data with multivariate curve resolution, Carabajal, MD, Pellegrino Vidal, R, Arancibia, JA, Olivieri, AC, Anal. Chim. Acta 1266 (2023) 341354. https://doi.org/10.1016/j.aca.2023.341354
Multivariate optimization of a gas chromatographic method for the determination of organic impurities in ethanol, Nassinia, D, Alvarez, FJ, Bohé, AE, Olivieri, AC, Microchem. J. 194 (2023) 109332. https://doi.org/10.1016/j.microc.2023.109332
Patriarca, M., Lombardelli, M., Pellegri, N., Daier, V., Signorella, S. R. Exploring the effect of pore size on the activity of superoxide dismutase mimics immobilized in mesoporous spherical silica particles (2023) New Journal of Chemistry 47, pp. 20800-20806. https://doi.org/10.1039/D3NJ03688J
Thobokholt, E. N., Simonetti, S. O., Kaufman, T. S., Larghi, E. L., & Bracca, A. B. (2023). Efficient Buchwald–Hartwig and nitrene-mediated five-membered ring closure approaches to the total synthesis of quindoline. Unexpected direct conversion of a nitro group into a phosphazene. RSC advances, 13(20), 13715-13724. https://doi.org/10.1039/D3RA02468G
Permingeat Squizatto, C.; Bianchini, M. A.; Delpiccolo, C. M. L. Synthesis of 2, 3-Dihydropyrroles by Rhodium (II)-Catalyzed Transannulation of N-Sulfonyl-1, 2, 3-triazoles: Diversity Generation by One-Pot Methodologies. J. Org. Chem. 2023, 88, 16091. DOI: 10.1021/acs.joc.3c01337
Ruatta, S. M.; Prada Gori, D. N.; Fló Díaz, M.; Lorenzelli, F.; Perelmuter, K.; Alberca, L. N.; Bellera, C.; Medeiros, G.; López, G.V.; Ingol, M.; Porcal, W.; Dibello, E.; Ihnatenko, I.; Kunick, C.; Incerti, M.; Luzardo, M.; Colobbio, M.; Ramos, J.C.; Manta, E., Minini, L.; Lavaggi, M.L.; Hernández, P.; Šarlauskas, J.; Huerta García, C. S.; Castillo, R.; Hernández-Campos, A.; Ribaudo, G.; Zagotto, G.; Carlucci, R.; Medrán, N. S.; Labadie, G.R.; Martinez-Amezaga, M.; Delpiccolo, C.M.L.; Mata, E.G.; Scarone, L.; Posada, L.; Serra, G.; Calogeropoulou, T.; Prousis, K.; Detsi, A.; Cabrera, M.; Guzmán Alvarez; Aicardo, A.; Araújo, V.; Chavarría, C.; Peterlin Mašič, L.; Gantner, M.E.; Llanos, M.A.; Rodríguez, S.; Gavernet, L.; Park, S.; Heo, J.; Lee, H.; Park, K-H. P.; Bollati-Fogolín, M.; Pritsch, O.; Shum, D.; Alan Talevi. A.; Comini, M. A. Garbage in, garbage out: how reliable training data improved a virtual screening approach against SARS-CoV-2 MPro. Front. Pharmacol. 2023, 14, 1193282. https://doi.org/10.3389/fphar.2023.1193282
Barrionuevo, E.; Cornier, P.G.; Delpiccolo, C.M.L.; Mata, E. G., Roguin, L. P.; Blank, V. C. Antiangiogenic activity of the penicillin derivative TAP7f in melanoma. J Mol Med, 2023, 101, 249. DOI: 10.1007/s00109-023-02287-7
Richezzi, M., Ferreyra, J., Signorella, S., Palopoli, C., Terrestre, G., Pellegri, N., Hureau, C., Signorella, S. R. Effect of Metal Environment and Immobilization on the Catalytic Activity of a Cu Superoxide Dismutase Mimic (2023) Inorganics 11, art. no. 425 https://doi.org/10.3390/inorganics11110425
Richezzi, M., Signorella, S., Palopoli, C., Pellegri, N., Hureau, C., Signorella, S. R. The Critical Role of Ligand Flexibility on the Activity of Free and Immobilized Mn Superoxide Dismutase Mimics (2023) Inorganics 11, art. no. 359 https://doi.org/10.3390/inorganics11090359
Bedogni, G., Arrúa, E., Seremeta, K., Okulik, N., Salomon, C. Elucidating the complexation of nifurtimox with cyclodextrins (2023) Journal of Molecular Liquids, 382, art. no. 121852 https://doi.org/10.1016/j.molliq.2023.121852
Rojas, D.M.S., Maggio, R.M., Kaufman, T.S. A nuclear magnetic resonance-based study of the behavior of the tautomers of triclabendazole in DMSO-d6, in the presence of water (2023) Journal of Molecular Structure, 1283, art. no. 135315 https://doi.org/10.1016/j.molstruc.2023.135315
Chiappini, F.A., Muñoz de la Peña, A., Goicoechea, H.C., Olivieri, A.C. An upgrade of MVC2, a MATLAB graphical user interface for second-order multivariate calibration: Beyond trilinear models (2023) Chemometrics and Intelligent Laboratory Systems, 237, art. no. 104814 https://doi.org/10.1016/j.chemolab.2023.104814
Porta, E.O.J., Ballari, M.S., Carlucci, R., Wilkinson, S., Ma, G., Tekwani, B.L., Labadie, G.R. Systematic study of 1,2,3-triazolyl sterols for the development of new drugs against parasitic Neglected Tropical Diseases (2023) European Journal of Medicinal Chemistry, 254, art. no. 115378 https://doi.org/10.1016/j.ejmech.2023.115378
Moroni, A.B., Calvo, N.L., Kaufman, T.S. Selected Aspects of the Analytical and Pharmaceutical Profiles of Nifurtimox (2023) Journal of Pharmaceutical Sciences, 112 (6), pp. 1523-1538 https://doi.org/10.1016/j.xphs.2023.02.015
Moroni, A.B., Pérez Mayoral, E., Lionello, D.F., Vega, D.R., Kaufman, T.S., Calvo, N.L. Characterization of the hydrochloride salt hemihydrate as a new salt of the antifungal agent tioconazole (2023) International Journal of Pharmaceutics, 637, art. no. 122869 https://doi.org/10.1016/j.ijpharm.2023.122869
Dusso, D., Salomon, C.J. Solving the delivery of Lactococcus lactis: Improved survival and storage stability through the bioencapsulation with different carriers (2023) Journal of Food Science, 88 (4), pp. 1495-1505. https://doi.org/10.1111/1750-3841.16538
Savosina, J., Agafonova-Moroz, M., Naumov, A., Nikolaev, A., Lumpov, A., Babain, V., Legin, A., Olivieri, A., Parastar, H., Kirsanov, D. Simultaneous quantification of Zr, Mo, U, Np and Pu in technological solutions of spent nuclear fuel reprocessing with a potentiometric multisensor system (2023) Sensors and Actuators B: Chemical, 380, art. no. 133315 https://doi.org/10.1016/j.snb.2023.133315
Cortés, I., Sarotti, A.M. E/Z configurational determination of oximes and related derivatives through quantum mechanics NMR calculations: scope and limitations of the leading probabilistic methods (2023) Organic and Biomolecular Chemistry, 21 (14), pp. 2935-2940 https://doi.org/10.1039/d3ob00291h
Moroni, A.B., Mayoral, E.P., Lionello, D.F., Vega, D.R., Kaufman, T.S., Calvo, N.L.Solid-state properties of Nifurtimox. Preparation, analytical characterization, and stability of an amorphous phase (2023) European Journal of Pharmaceutics and Biopharmaceutics, 184, pp. 25-35. https://doi.org/10.1016/j.ejpb.2023.01.008
Barrionuevo, E., Cornier, P.G., Delpiccolo, C.M.L., Mata, E.G., Roguin, L.P., Blank, V.C. Antiangiogenic activity of the penicillin derivative TAP7f in melanoma (2023) Journal of Molecular Medicine, 101 (3), pp. 249-263 https://doi.org/10.1007/s00109-023-02287-7
Rossi, G.B., Lozano, V.A., Olivieri, A.C. Spectral pre-processing and non-linear calibration with convolutional kernel partial least-squares. Teaching new tricks to an old dog (2023) Chemometrics and Intelligent Laboratory Systems, 233, art. no. 104736 https://doi.org/10.1016/j.chemolab.2022.104736
Forchetti Casarino, A., Bortolato, S.A., Casis, N., Estenoz, D.A., Spontón, M.E. Novel polybenzoxazine and polybenzoxazine/epoxy thermosetting copolymers containing polysilsesquioxane nanostructures for high-performance thermal protection systems (2023) European Polymer Journal, 182, art. no. 111722 https://doi.org/10.1016/j.eurpolymj.2022.111722
Marcarino, M.O., Passaglia, L., Zanardi, M.M., Sarotti, A.M. Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen-Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory** (2023) Chemistry – A European Journal https://doi.org/10.1002/chem.202300420
dos Santos, D.P., Sena, M.M., Almeida, M.R., Mazali, I.O., Olivieri, A.C., Villa, J.E.L. Unraveling surface-enhanced Raman spectroscopy results through chemometrics and machine learning: principles, progress, and trends (2023) Analytical and Bioanalytical Chemistry https://doi.org/10.1007/s00216-023-04620-y
2022
Labadie, N; Pellegrinet, S. C. Diels-Alder Reactivity of Allenylboronic Acid Pinacol Ester and Related Dienophiles: Mechanistic Studies and Distortion/Interaction-Activation Strain Model Analysis. J. Org. Chem., 2022, 87, 16776-16784, 10.1021/acs.joc.2c02445. https://pubs.acs.org/doi/abs/10.1021/acs.joc.2c02445
Li, C., Sarotti, A.M., Daranas, A.H., Wu, X., Zheng, S.-L., Blodgett, J.A.V., Cao, S. Chemical Stability of Petrichorins (2022) Journal of Organic Chemistry, 87 (24), pp. 16847-16850 https://doi.org/10.1021/acs.joc.2c01275
Ceccoli, R.D., Bianchi, D.A., Rial, D.V. Sequential chemo-biocatalytic synthesis of aroma compounds (2022) Green Chemistry, 25 (1), pp. 318-329. https://doi.org/10.1039/d2gc02866b
Richezzi, M., Palopoli, C., Pellegri, N., Hureau, C., Signorella, S.R. Synthesis, characterization and superoxide dismutase activity of a biomimetic Mn(III) complex covalently anchored to mesoporous silica (2022) Journal of Inorganic Biochemistry, 237, art. no. 112026 https://doi.org/10.1016/j.jinorgbio.2022.112026
Bellizzi, Y., Cornier, P.G., Delpiccolo, C.M.L., Mata, E.G., Blank, V., Roguin, L.P. Synergistic antitumor effect of a penicillin derivative combined with thapsigargin in melanoma cells (2022) Journal of Cancer Research and Clinical Oncology, 148 (12), pp. 3361-3373 https://doi.org/10.1007/s00432-022-04129-4
Escandar, G.M., Olivieri, A.C. A Critical Review on the Development of Optical Sensors for the Determination of Heavy Metals in Water Samples. the Case of Mercury(II) Ion (2022) ACS Omega, 7 (44), pp. 39574-39585. https://doi.org/10.1021/acsomega.2c05215
Cuadrado, C., Daranas, A.H., Sarotti, A.M. May the Force (Field) Be with You: On the Importance of Conformational Searches in the Prediction of NMR Chemical Shifts (2022) Marine Drugs, 20 (11), art. no. 699 https://doi.org/10.3390/md20110699
Salazar-Rojas, D., Kaufman, T.S., Maggio, R.M. A study of the heat-mediated phase transformations of praziquantel hydrates. Evaluation of their impact on the dissolution rate (2022) Heliyon, 8 (11), art. no. e11317 https://doi.org/10.1016/j.heliyon.2022.e11317
Carlucci, R., Jäger, S.N., Labadie, G.R. Steryl glucosides recovered from biodiesel tank deposits are an excellent source of phytosterols (2022) Industrial Crops and Products, 187, art. no. 115307 https://doi.org/10.1016/j.indcrop.2022.115307
Carlucci, R., Di Gresia, G., Mediavilla, M.G., Cricco, J.A., Tekwani, B.L., Khan, S.I., Labadie, G.R. Expanding the scope of novel 1,2,3-triazole derivatives as new antiparasitic drug candidates (2022) RSC Medicinal Chemistry, 14 (1), pp. 122-134 https://doi.org/10.1039/d2md00324d
La-Venia, A., Passaglia, L., Gurgone, L., Gandon, V., Riveira, M.J. Acid-Promoted Iso-Nazarov Cyclization of Conjugated trans-Dienones and Dienals for the Synthesis of 2-Cyclopentenones (2022) Journal of Organic Chemistry, 87 (20), pp. 13469-13479 https://doi.org/10.1021/acs.joc.2c01783
Tsai, Y.-H., Amichetti, M., Zanardi, M.M., Grimson, R., Daranas, A.H., Sarotti, A.M. ML-J-DP4: An Integrated Quantum Mechanics-Machine Learning Approach for Ultrafast NMR Structural Elucidation (2022) Organic Letters, 24 (41), pp. 7487-7491 https://doi.org/10.1021/acs.orglett.2c01251
Vargas, D.F., Kaufman, T.S., Larghi, E.L. Total Synthesis of Aqabamycin G, a Nitrophenyl Indolylmaleimide Marine Alkaloid from Vibrio sp. WMBA (2022) Journal of Organic Chemistry, 87 (20), pp. 13494-13500 https://doi.org/10.1021/acs.joc.2c00063
Cornier, P.G., Delpiccolo, C.M.L., Martiren, N.L., Mata, E.G., Mendez, L., Squizatto, C.P., Pizzio, M.G. Transition Metal-Catalyzed Reactions and Solid-Phase Synthesis: A Convenient Blend (2022) European Journal of Organic Chemistry, 2022 (38), art. no. e202200526 https://doi.org/10.1002/ejoc.202200526
Anzardi, M.B., Ibañez, G.A., Arancibia, J.A. Quantification chemometrically assisted of veterinary quinolones in edible animal tissues by excitation-emission fluorescence-kinetic data obtained through Fenton degradation (2022) Journal of Food Composition and Analysis, 113, art. no. 104707 https://doi.org/10.1016/j.jfca.2022.104707
Allegrini, F., Olivieri, A.C. Linear or non-linear multivariate calibration models? That is the question (2022) Analytica Chimica Acta, 1226, art. no. 340248 https://doi.org/10.1016/j.aca.2022.340248
Olivieri, A.C., Sawall, M., Neymeyr, K., Tauler, R. Noise effects on band boundaries in multivariate curve resolution of three-component systems (2022) Chemometrics and Intelligent Laboratory Systems, 228, art. no. 104636 https://doi.org/10.1016/j.chemolab.2022.104636
Colque, C.A., albarracín Orio, A.G., Tomatis, P.E., Dotta, G., Moreno, D.M., Hedemann, L.G., Hickman, R.A., Sommer, L.M., Feliziani, S., Moyano, A.J., Bonomo, R.A., Johansen, H.K., Molin, S., Vila, A.J., Smania, A.M. Longitudinal Evolution of the Pseudomonas-Derived Cephalosporinase (PDC) Structure and Activity in a Cystic Fibrosis Patient Treated with β-Lactams (2022) mBio, 13 (5), . https://doi.org/10.1128/mbio.01663-22
Arrua, E.C., Hartwig, O., Loretz, B., Goicoechea, H., Murgia, X., Lehr, C.-M., Salomon, C.J. Improving the oral delivery of benznidazole nanoparticles by optimizing the formulation parameters through a design of experiment and optimization strategy (2022) Colloids and Surfaces B: Biointerfaces, 217, art. no. 112678 https://doi.org/10.1016/j.colsurfb.2022.112678
Antonio, M., Carneiro, R.L., Maggio, R.M. A comparative approach of MIR, NIR and Raman based chemometric strategies for quantification of Form I of Meloxicam in commercial bulk drug (2022) Microchemical Journal, 180, art. no. 107575 https://doi.org/10.1016/j.microc.2022.107575
Olivieri, A.C. Evaluation of the ambiguity in second-order analytical calibration based on multivariate curve resolution. A tutorial (2022) Microchemical Journal, 179, art. no. 107455, . https://doi.org/10.1016/j.microc.2022.107455
Saunthwal, R.K., Saini, K.M., Grimblat, N., Danodia, A.K., Kumar, S., Gandon, V., Verma, A.K. Expedient Access to Polyaromatic Biaryls by Unconventional Ag-Catalyzed Cycloaromatization of Alkynylthiophenes and Au-Catalyzed Double C-H Activation (2022) Organic Letters, 24 (28), pp. 5018-5022. https://doi.org/10.1021/acs.orglett.2c01665
Cicetti, S., Maestre, E., Spanevello, R.A., Sarotti, A.M. Towards the Synthesis of Highly Hindered Pyrrolidines by Intramolecular AAC Click Reactions: What Can Be Learned from DFT Calculations?** (2022) European Journal of Organic Chemistry, 2022 (25), art. no. e202200478 https://doi.org/10.1002/ejoc.202200478
Brites, N.P., Dilelio, M.C., Schumacher, R.F., Kaufman, T.S., Silveira, C.C. A Convenient Wittig-Horner Mediated Synthesis of 3-Vinylsulfide Derivatives of Indoles (2022) ChemistrySelect, 7 (24), art. no. e202201350 https://doi.org/10.1002/slct.202201350
Simonetti, S.O., Kaufman, T.S., Larghi, E.L. Conjugation of Carbohydrates with Quinolines: A Powerful Synthetic Tool (2022) European Journal of Organic Chemistry, 2022 (23), art. no. e202200107 https://doi.org/10.1002/ejoc.202200107
Uz Zaman, K.A., Sarotti, A.M., Wu, X., Cao, S. Polyketides, diketopiperazines and an isochromanone from the marine-derived fungal strain Fusarium graminearum FM1010 from Hawaii (2022) Phytochemistry, 198, art. no. 113138 https://doi.org/10.1016/j.phytochem.2022.113138
Paulino, É.T., Ribeiro de Lima, M., Viçosa, A.L., Silva, C.H.D., Salomon, C.J., Real, D.A., Leonardi, D., Mello Silva, C.C., Moraes Neto, A.H.A.D. The Effect of Different Formulations of Praziquantel in Reducing Worms in the Prepatent Period of Schistosomiasis in Murine Models (2022) Frontiers in Public Health, 10, art. no. 848633 https://doi.org/10.3389/fpubh.2022.848633
Pellieri, C.M., Taddia, A., Loureiro, D.B., Bortolato, S.A., Tubio, G. Spartina argentinensis valorization and process optimization for enhanced production of hydrolytic enzymes by filamentous fungus (2022) Environmental Technology and Innovation, 26, art. no. 102298 https://doi.org/10.1016/j.eti.2022.102298
Sperança, M.A., Nascimento, P.A.M., Olivieri, A.C., Pereira, F.M.V. XRF-based analytical methods for supporting sustainability in sugarcane biorefineries (2022) Biofuels, Bioproducts and Biorefining, 16 (3), pp. 758-765 https://doi.org/10.1002/bbb.2336
Li, C., Hu, Y., Wu, X., Stumpf, S.D., Qi, Y., D’Alessandro, J.M., Nepal, K.K., Sarotti, A.M., Cao, S., Blodgett, J.A.V. Discovery of unusual dimeric piperazyl cyclopeptides encoded by a Lentzea flaviverrucosa DSM 44664 biosynthetic supercluster (2022) Proceedings of the National Academy of Sciences of the United States of America, 119 (17), art. no. 2117941119 https://doi.org/10.1073/pnas.2117941119
Vázquez, D., Comba, M.B., Spanevello, R.A., Libonatti, B., Mangione, M.I. Insights into the synthesis of hexaaminobenzene hydrochloride: An entry to hexaazatriphenylenes (2022) Journal of Molecular Structure, 1254, art. no. 132385 https://doi.org/10.1016/j.molstruc.2022.132385
Andrés Real, D., Gagliano, A., Sonsini, N., Wicky, G., Orzan, L., Leonardi, D., Salomon, C. Design and optimization of pH-sensitive Eudragit nanoparticles for improved oral delivery of triclabendazole (2022) International Journal of Pharmaceutics, 617, art. no. 121594, . https://doi.org/10.1016/j.ijpharm.2022.121594
Richezzi, M., Ferreyra, J., Puzzolo, J., Milesi, L., Palopoli, C.M., Moreno, D.M., Hureau, C., Signorella, S.R. Versatile Activity of a Copper(II) Complex Bearing a N4-Tetradentate Schiff Base Ligand with Reduced Oxygen Species (2022) European Journal of Inorganic Chemistry, 2022 (8), art. no. e202101042 https://doi.org/10.1002/ejic.202101042
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Dilelio, M.C., Kaufman, T.S., Iglesias, B.A., Silveira, C.C. Synthesis and evaluation of photophysical and electrochemical properties of vinyl chalcogenide derivatives of phenothiazines (2022) Dyes and Pigments, 198, art. no. 109982, . https://doi.org/10.1016/j.dyepig.2021.109982
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Darío Pierini, G., Andrés Bortolato, S., Noel Robledo, S., Raquel Alcaraz, M., Fernández, H., Casimiro Goicoechea, H., Alicia Zon, M. Second-order electrochemical data generation to quantify carvacrol in oregano essential oils (2022) Food Chemistry, 368, art. no. 130840 https://doi.org/10.1016/j.foodchem.2021.130840
Gonzalez Lopez, E.J., Sarotti, A.M., Martínez, S.R., Macor, L.P., Durantini, J.E., Renfige, M., Gervaldo, M.A., Otero, L.A., Durantini, A.M., Durantini, E.N., Heredia, D.A. BOPHY-Fullerene C60 Dyad as a Photosensitizer for Antimicrobial Photodynamic Therapy (2022) Chemistry – A European Journal, 28 (5), art. no. e202103884 https://doi.org/10.1002/chem.202103884
Olivieri, A.C., Neymeyr, K., Sawall, M., Tauler, R. How noise affects the band boundaries in multivariate curve resolution (2022) Chemometrics and Intelligent Laboratory Systems, 220, art. no. 104472 https://doi.org/10.1016/j.chemolab.2021.104472
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2021
Cortés, I., Cabrera-Trujillo, J.J., Fernández, I. Rationalizing the influence of α-cationic phospholes on π-catalysis (2021) Dalton Transactions, 50 (48), pp. 18036-18043. https://doi.org/10.1039/d1dt03721h
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Development and optimization of a new tioconazole vaginal mucoadhesive film using an experimental design strategy. Physicochemical and biological characterization (2021) Journal of Pharmaceutical and Biomedical Analysis, 205, art. no. 114303 https://doi.org/10.1016/j.jpba.2021.114303
Fatthalla, M., Grimblat, N., Brachet, E., Alami, M., Gandon, V., Le Bideau, F., Messaoudi, S. Synthesis of axially chiral biaryl thioglycosides through thiosugar-directed Pd-catalyzed asymmetric C-H activation (2021) Chemical Communications, 57 (80), pp. 10355-10358. https://doi.org/10.1039/d1cc03971g
Chiappini, F.A., Gutierrez, F., Goicoechea, H.C., Olivieri, A.C. Achieving the analytical second-order advantage with non-bilinear second-order data (2021) Analytica Chimica Acta, 1181, art. no. 338911 https://doi.org/10.1016/j.aca.2021.338911
La–Venia, A., Dzijak, R., Rampmaier, R., Vrabel, M. An Optimized Protocol for the Synthesis of Peptides Containing trans-Cyclooctene and Bicyclononyne Dienophiles as Useful Multifunctional Bioorthogonal Probes (2021) Chemistry – A European Journal, 27 (54), pp. 13632-13641. https://doi.org/10.1002/chem.202102042
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Ferreyra, L.S., Verdini, R.A., Soazo, M., Piccirilli, G.N. Impact of whey protein addition on wheat bread fermented with a spontaneous sourdough (2021) International Journal of Food Science and Technology, 56 (9), pp. 4738-4745. https://doi.org/10.1111/ijfs.15052
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Reddy, D.S., Srinivas, B., Rachineni, K., Jagadeesh, B., Sarotti, A.M., Mohapatra, D.K. BF3·OEt2-Catalyzed Unexpected Stereoselective Formation of z,4-trans-Diallyl-2-methyl-6-aryltetrahydro-2 H-pyrans with Quaternary Stereocenters (2021) Journal of Organic Chemistry, 86 (9), pp. 6518-6527. https://doi.org/10.1021/acs.joc.1c00352
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Batistelli, M., Mora, B.P., Mangiameli, F., Mamana, N., Lopez, G., Goddio, M.F., Bellú, S., González, J.C. A continuous method for arsenic removal from groundwater using hybrid biopolymer-iron-nanoaggregates: improvement through factorial designs (2021) Journal of Chemical Technology and Biotechnology, 96 (4), pp. 923-929. https://doi.org/10.1002/jctb.6600
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Rossi, M.-A., Martinez, V., Hinchliffe, P., Mojica, M.F., Castillo, V., Moreno, D.M., Smith, R., Spellberg, B., Drusano, G.L., Banchio, C., Bonomo, R.A., Spencer, J., Vila, A.J., Mahler, G. 2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-β-lactamases (2021) Chemical Science, 12 (8), pp. 2898-2908. https://doi.org/10.1039/d0sc05172a
Mazivila, S.J., Lombardi, J.M., Páscoa, R.N.M.J., Bortolato, S.A., Leitão, J.M.M., Esteves da Silva, J.C.G. Three-way calibration using PARAFAC and MCR-ALS with previous synchronization of second-order chromatographic data through a new functional alignment of pure vectors for the quantification in the presence of retention time shifts in peak position and shape (2021) Analytica Chimica Acta, 1146, pp. 98-108. https://doi.org/10.1016/j.aca.2020.12.033
Ghouilem, J., Tran, C., Grimblat, N., Retailleau, P., Alami, M., Gandon, V., Messaoudi, S. Diastereoselective Pd-Catalyzed Anomeric C(sp3)-H Activation: Synthesis of α-(Hetero)aryl C-Glycosides (2021) ACS Catalysis, 11 (3), pp. 1818-1826. https://doi.org/10.1021/acscatal.0c05052
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Shukla, S.N., Gaur, P., Bagri, S.S., Mehrotra, R., Chaurasia, B., Raidas, M.L. Pd(II) complexes with ONN pincer ligand: Tailored synthesis, characterization, DFT, and catalytic activity toward the Suzuki-Miyaura reaction (2021) Journal of Molecular Structure, 1225, art. no. 129071 https://doi.org/10.1016/j.molstruc.2020.129071
Mosconi, N., Monti, L., Giulidori, C., Williams, P.A.M., Raimondi, M., Bellú, S., Rizzotto, M. Antifungal, phyto, cyto, genotoxic and lipophilic properties of three complexes of sulfadimethoxine (HSDM) with Ag(I). Synthesis and characterization of [Ag3SDM(SCN)2]·H2O and [Ag2(SDM)2o-phenanthroline]·H2O (2021) Polyhedron, 195, art. no. 114965, . https://doi.org/10.1016/j.poly.2020.114965
Daranas, A.H., Sarotti, A.M. Are Computational Methods Useful for Structure Elucidation of Large and Flexible Molecules? Belizentrin as a Case Study (2021) Organic Letters, 23 (2), pp. 503-507 https://doi.org/10.1021/acs.orglett.0c04016
Polo, E., Prent-Peñaloza, L., Núñez, Y.A.R., Valdés-Salas, L., Trilleras, J., Ramos, J., Henao, J.A., Galdámez, A., Morales-Bayuelo, A., Gutiérrez, M. Microwave-assisted synthesis, biological assessment, and molecular modeling of aza-heterocycles: Potential inhibitory capacity of cholinergic enzymes to Alzheimer’s disease (2021) Journal of Molecular Structure, 1224, art. no. 129307 https://doi.org/10.1016/j.molstruc.2020.129307
Arrua, E.C., Hartwig, O., Ho, D.-K., Loretz, B., Murgia, X., Salomon, C.J., Lehr, C.-M. Surfactant-Free Glibenclamide Nanoparticles: Formulation, Characterization and Evaluation of Interactions with Biological Barriers (2021) Pharmaceutical Research https://doi.org/10.1007/s11095-021-03056-2
Shukla, S.N., Gaur, P., Bagri, S.S., Mehrotra, R., Chaurasia, B. Catalytic investigation of Pd(II) complexes over Heck–Mizoroki reaction: Tailored synthesis, characterization and density functional theory (2021) Journal of the Serbian Chemical Society, 86 (3), pp. 269-282. https://doi.org/10.2298/JSC200902075S
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2020
Ghiano, D.G., Recio-Balsells, A., Bortolotti, A., Defelipe, L.A., Turjanski, A., Morbidoni, H.R., Labadie, G.R. New one-pot synthesis of anti-tuberculosis compounds inspired on isoniazid (2020) European Journal of Medicinal Chemistry, 208, art. no. 112699, . https://doi.org/10.1016/j.ejmech.2020.112699
Mora, B.P., Bertoni, F.A., Mangiameli, M.F., González, J.C., Bellú, S.E. Batch and fixed-bed column studies of selenite removal from contaminated water by orange peel-based sorbent (2020) Water Science and Engineering, 13 (4), pp. 307-316 https://doi.org/10.1016/j.wse.2020.12.003
Durantini, J.E., Rubio, R., Solis, C., Macor, L., Morales, G.M., Mangione, M.I., Heredia, D.A., Durantini, E.N., Otero, L., Gervaldo, M. Electrosynthesis of a hyperbranched dendrimeric porphyrin polymer: Optical and electronic characterization as a material for bifunctional electrochromic supercapacitors (2020) Sustainable Energy and Fuels, 4 (12), pp. 6125-6140. https://doi.org/10.1039/d0se00199f
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Chiappini, F.A., Goicoechea, H.C., Olivieri, A.C. MVC1_GUI: A MATLAB graphical user interface for first-order multivariate calibration. An upgrade including artificial neural networks modelling (2020) Chemometrics and Intelligent Laboratory Systems, 206, art. no. 104162 https://doi.org/10.1016/j.chemolab.2020.104162
Taddia, A., Brandaleze, G.N., Boggione, M.J., Bortolato, S.A., Tubio, G. An integrated approach to the sustainable production of xylanolytic enzymes from Aspergillus niger using agro-industrial by-products (2020) Preparative Biochemistry and Biotechnology, 50 (10), pp. 979-991. https://doi.org/10.1080/10826068.2020.1777425
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Gonzalez, A.L., Lozano, V.A., Escandar, G.M., Bravo, M.A. Determination of ochratoxin A in coffee and tea samples by coupling second-order multivariate calibration and fluorescence spectroscopy (2020) Talanta, 219, art. no. 121288, . https://doi.org/10.1016/j.talanta.2020.121288
Carabajal, M.D., Glorio, A., Marcipar, I.S., Lagier, C.M. Determination of free and total glycerol in biodiesel by spot analysis (2020) Microchemical Journal, 158, art. no. 105148, . https://doi.org/10.1016/j.microc.2020.105148
Medrán, N.S., Sayé, M., Pereira, C.A., Tekwani, B.L., La-Venia, A., Labadie, G.R. Expanding the scope of synthetic 1,2,4-trioxanes towards Trypanosoma cruzi and Leishmania donovani (2020) Bioorganic and Medicinal Chemistry Letters, 30 (20), art. no. 127491 https://doi.org/10.1016/j.bmcl.2020.127491
Tejada, G., Barrera, M.G., García, P., Sortino, M., Lamas, M.C., Lassalle, V., Alvarez, V., Leonardi, D. Nanoparticulated Systems Based on Natural Polymers Loaded with Miconazole Nitrate and Lidocaine for the Treatment of Topical Candidiasis (2020) AAPS PharmSciTech, 21 (7), art. no. 278 https://doi.org/10.1208/s12249-020-01826-6
Soberón, J.R., Sgariglia, M.A., Carabajal Torrez, J.A., Aguilar, F.A., Pero, E.J.I., Sampietro, D.A., Fernández de Luco, J., Labadie, G.R. Antifungal activity and toxicity studies of flavanones isolated from Tessaria dodoneifolia aerial parts (2020) Heliyon, 6 (10), art. no. e05174 https://doi.org/10.1016/j.heliyon.2020.e05174
Rossi, M.G., Soazo, M., Piccirilli, G.N., Llopart, E.E., Revelant, G.C., Verdini, R.A Technological, nutritional and sensorial characteristics of wheat bread fortified with calcium salts (2020) International Journal of Food Science and Technology, 55 (10), pp. 3306-3314 https://doi.org/10.1111/ijfs.14594
Schütznerová, E., Přibylka, A., Medran, N.S., Krchňák, V. Greening Solid-Phase Organic Synthesis: Environmentally Conscious Synthesis of Pharmaceutically Relevant Privileged Structures 5,6-Dihydropyridin-2(1 H)-ones and Quinolin-2(1 H)-ones (2020) Journal of Organic Chemistry, 85 (18), pp. 11867-11881 https://doi.org/10.1021/acs.joc.0c01623
Chiappini, F.A., Allegrini, F., Goicoechea, H.C., Olivieri, A.C. Sensitivity for Multivariate Calibration Based on Multilayer Perceptron Artificial Neural Networks (2020) Analytical Chemistry, 92 (18), pp. 12265-12272 https://doi.org/10.1021/acs.analchem.0c01863
Cortés, I., Cala, L.J., Bracca, A.B.J., Kaufman, T.S. Furo[3,2-: C] coumarins carrying carbon substituents at C-2 and/or C-3. Isolation, biological activity, synthesis and reaction mechanisms (2020) RSC Advances, 10 (55), pp. 33344-33377 https://doi.org/10.1039/d0ra06930b
Fargnoli, L., Panozzo-Zénere, E.A., Pagura, L., Barisón, M.J., Cricco, J.A., Silber, A.M., Labadie, G.R. Targeting L-Proline Uptake as New Strategy for Anti-chagas Drug Development (2020) Frontiers in Chemistry, 8, art. no. 696 https://doi.org/10.3389/fchem.2020.00696
Olivieri, A.C., Omidikia, N. Initialization effects in two-component second-order multivariate calibration with the extended bilinear model (2020) Analytica Chimica Acta, 1125, pp. 169-176. https://doi.org/10.1016/j.aca.2020.05.060
Cortés, I., di Liberto, M.G., Kaufman, T.S., Derita, M.G., Bracca, A.B.J. Synthesis and evaluation of aromatic methoxime derivatives against five postharvest phytopathogenic fungi of fruits. Main structure–activity relationships (2020) Food Chemistry, 321, art. no. 126701, . https://doi.org/10.1016/j.foodchem.2020.126701
Bortolotti, A., Vazquez, D.B., Almada, J.C., Inda, M.E., Drusin, S.I., Villalba, J.M., Moreno, D.M., Ruysschaert, J.M., Cybulski, L.E. A transmembrane histidine kinase functions as a pH sensor (2020) Biomolecules, 10 (8), art. no. 1183, pp. 1-11. https://doi.org/10.3390/biom10081183
Morri, M., Casabonne, C., Leonardi, D., Vignaduzzo, S. Orphan Formulations for Pediatric Use: Development and Stability Control of Two Sildenafil Citrate Solutions for the Treatment of Pulmonary Hypertension (2020) AAPS PharmSciTech, 21 (6), art. no. 221 https://doi.org/10.1208/s12249-020-01768-z
Tsai, Y.-H., Borini Etichetti, C.M., Cicetti, S., Girardini, J.E., Spanevello, R.A., Suárez, A.G., Sarotti, A.M. Design, synthesis and evaluation of novel levoglucosenone derivatives as promising anticancer agents (2020) Bioorganic and Medicinal Chemistry Letters, 30 (14), art. no. 127247 https://doi.org/10.1016/j.bmcl.2020.127247
Pellegrino Vidal, R.B., Olivieri, A.C. A New Parameter for Measuring the Prediction Uncertainty Produced by Rotational Ambiguity in Second-Order Calibration with Multivariate Curve Resolution (2020) Analytical Chemistry, 92 (13), pp. 9118-9123 https://doi.org/10.1021/acs.analchem.0c01395
Codina, A.V., Priotti, J., Leonardi, D., Vasconi, M.D., Hinrichsen, L.I., Lamas, M.C. Effect of Genotype and Sex of the Host on the Bioavailability of Novel Albendazole Microcrystals Based on Chitosan and Cellulose Derivatives (2020) AAPS PharmSciTech, 21 (5), art. no. 149, . https://doi.org/10.1208/s12249-020-01692-2
de Marco, B.A., Maggio, R.M., Nunes Salgado, H.R. Development of a general strategy for the quantification of pseudopolymorphs: analysis of cefadroxil monohydrate in commercial products (2020) Journal of Pharmaceutical Investigation, 50 (4), pp. 425-433 https://doi.org/10.1007/s40005-020-00470-3
Simonetti, S.O., Pellegrinet, S.C. Theoretical Study of the Borono-Mannich Reaction with Pinacol Allenylboronate (2020) Journal of Organic Chemistry, 85 (11), pp. 7494-7500. https://doi.org/10.1021/acs.joc.0c01003
Sarotti, A.M. Quantum chemical computation and machine learning in NMR (2020) Magnetic Resonance in Chemistry, 58 (6), p. 477 https://doi.org/10.1002/mrc.5016
Selvero, M.M., Ledesma, G.N., Abram, U., Schulz-Lang, E., Morel, A.F., Larghi, E.L. 2,2,2-trifluoroethanol-promoted access to symmetrically 3,3-disubstituted quinoline-2,4-diones (2020) Journal of Fluorine Chemistry, 234, art. no. 109520 https://doi.org/10.1016/j.jfluchem.2020.109520
Patriarca, M., Daier, V., Camí, G., Rivière, E., Hureau, C., Signorella, S. Preparation, characterization and activity of CuZn and Cu2 superoxide dismutase mimics encapsulated in mesoporous silica (2020) Journal of Inorganic Biochemistry, 207, art. no. 111050. https://doi.org/10.1016/j.jinorgbio.2020.111050
Ledesma, J., Boschetti, C.E., Martino, D.M., Bortolato, S.A. Application of thymine-based copolymers in the quantification of organic pollutants in water by sensitized fluorescence (2020) Microchemical Journal, 155, art. no. 104625 https://doi.org/10.1016/j.microc.2020.104625
Thobokholt, E.N., Larghi, E.L., Bracca, A.B.J., Kaufman, T.S. Isolation and synthesis of cryptosanguinolentine (isocryptolepine), a naturally-occurring bioactive indoloquinoline alkaloid (2020) RSC Advances, 10 (32), pp. 18978-19002 https://doi.org/10.1039/d0ra03096a
Pratesi, D., Matassini, C., Goti, A., Angeli, A., Carta, F., Supuran, C.T., Spanevello, R., Cardona, F. Glycomimetic Based Approach toward Selective Carbonic Anhydrase Inhibitors (2020) ACS Medicinal Chemistry Letters, 11 (5), pp. 727-731 https://doi.org/10.1021/acsmedchemlett.9b00590
Vinaud, M.C., Real, D., Fraga, C.M., Lima, N.F., Souza Lino Junior, R.D., Leonardi, D., J Salomon, C. Nanodelivery of nitazoxanide: Impact on the metabolism of Taenia crassiceps cysticerci intracranially inoculated in mice (2020) Therapeutic Delivery, 11 (5), pp. 329-339. https://doi.org/10.4155/tde-2020-0017
Marcarino, M.O., Zanardi, M.M., Sarotti, A.M. The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation (2020) Organic Letters, 22 (9), pp. 3561-3565 https://doi.org/10.1021/acs.orglett.0c01001
Rossi, G.B., Lozano, V.A. Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS) (2020) LWT, 126, art. no. 109290 https://doi.org/10.1016/j.lwt.2020.109290
Ceccoli, R.D., Bianchi, D.A., Carabajal, M.A., Rial, D.V. Genome mining reveals new bacterial type I Baeyer-Villiger monooxygenases with (bio)synthetic potential (2020) Molecular Catalysis, 486, art. no. 110875 https://doi.org/10.1016/j.mcat.2020.110875
Buchter, V., Priotti, J., Leonardi, D., Lamas, M.C., Keiser, J. Preparation, Physicochemical Characterization and In Vitro and In Vivo Activity Against Heligmosomoides polygyrus of Novel Oral Formulations of Albendazole and Mebendazole (2020) Journal of Pharmaceutical Sciences, 109 (5), pp. 1819-1826 https://doi.org/10.1016/j.xphs.2020.02.002
Pereira, C.A., Sayé, M., Reigada, C., Silber, A.M., Labadie, G.R., Miranda, M.R., Valera-Vera, E. Computational approaches for drug discovery against trypanosomatid-caused diseases (2020) Parasitology, 147 (6), pp. 611-633 https://doi.org/10.1017/S0031182020000207
Olivieri, A.C. Microchemical Journal—Papers on chemometrics (2020) Microchemical Journal, 154, art. no. 104668 https://doi.org/10.1016/j.microc.2020.104668
Riveira, M.J. Studies on Biomimetic Singlet Oxygen Oxidations: Application to the Synthesis of the Alkaloid Simulenoline (2020) Journal of Natural Products, 83 (4), pp. 1309-1313. https://doi.org/10.1021/acs.jnatprod.0c00210
Salazar-Rojas, D., Maggio, R.M., Kaufman, T.S. Preparation and characterization of a new solid form of praziquantel, an essential anthelmintic drug. Praziquantel racemic monohydrate (2020) European Journal of Pharmaceutical Sciences, 146, art. no. 105267 https://doi.org/10.1016/j.ejps.2020.105267
Anzardi, M.B., Arancibia, J.A., Olivieri, A.C. Using chemometric tools to investigate the quality of three- and four-way liquid chromatographic data obtained with two different fluorescence detectors and applied to the determination of quinolone antibiotics in animal tissues (2020) Chemometrics and Intelligent Laboratory Systems, 199, art. no. 103972 https://doi.org/10.1016/j.chemolab.2020.103972
Antonelli, T.M., Olivieri, A.C.Developing and Implementing an R Shiny Application to Introduce Multivariate Calibration to Advanced Undergraduate Students (2020) Journal of Chemical Education, 97 (4), pp. 1176-1180 https://doi.org/10.1021/acs.jchemed.9b00850
Martinez-Amezaga, M., Giordano, R.A., Prada Gori, D.N., Permingeat Squizatto, C., Giolito, M.V., Scharovsky, O.G., Rozados, V.R., Rico, M.J., Mata, E.G., Delpiccolo, C.M.L. Synthesis of propargylamines: Via the A3 multicomponent reaction and their biological evaluation as potential anticancer agents (2020) Organic and Biomolecular Chemistry, 18 (13), pp. 2475-2486 https://doi.org/10.1039/d0ob00280a
Di Liberto, M.G., Caldo, A.J., Quiroga, A.D., Riveira, M.J., Derita, M.G. Zanthosimuline and Related Pyranoquinolines as Antifungal Agents for Postharvest Fruit Disease Control (2020) ACS Omega, 5 (13), pp. 7481-7487 https://doi.org/10.1021/acsomega.0c00225
Osella, M.I., Salazar, M.O., Gamarra, M.D., Moreno, D.M., Lambertucci, F., Frances, D.E., Furlan, R.L.E. Arylsulfonyl histamine derivatives as powerful and selective α-glucosidase inhibitors (2020) RSC Medicinal Chemistry, 11 (4), pp. 518-527. https://doi.org/10.1039/c9md00559e
Barrera, M.G., Tejada, G., Leonardi, D., Lamas, M.C., Salomón, C.J. A Novel Prototype Device for Microencapsulation of Benznidazole: In Vitro/In Vivo Studies (2020) AAPS PharmSciTech, 21 (3), art. no. 112 https://doi.org/10.1208/s12249-020-01659-3
Giolito, M.V., Camacho, C.M., Martinez-Amezaga, M., Traficante, C.I., Giordano, R.A., Cornier, P.G., Mata, E.G., Delpiccolo, C.M.L., Boggián, D.B., Giúdice, A.D., Mainetti, L.E., Scharovsky, O.G., Rozados, V.R., Rico, M.J. Antitumor activity of new chemical compounds in triple negative mammary adenocarcinoma models (2020) Future Science OA, 6 (3), art. no. 0057, . https://doi.org/10.2144/fsoa-2019-0057
Olivieri, A.C. Second-order multivariate calibration with the extended bilinear model: Effect of initialization, constraints, and composition of the calibration set on the extent of rotational ambiguity (2020) Journal of Chemometrics, 34 (3), art. no. e3130 https://doi.org/10.1002/cem.3130
Barrionuevo, E., Cayrol, F., Cremaschi, G.A., Cornier, P.G., Boggián, D.B., Delpiccolo, C.M.L., Mata, E.G., Roguin, L.P., Blank, V.C. A Penicillin Derivative Exerts an Anti-Metastatic Activity in Melanoma Cells Through the Downregulation of Integrin αvβ3 and Wnt/β-Catenin Pathway (2020) Frontiers in Pharmacology, 11, art. no. 127 https://doi.org/10.3389/fphar.2020.00127
Grimblat, N., Sarotti, A.M. Looking at the big picture in activation strain model/energy decomposition analysis: The case of the: Ortho – Para regioselectivity rule in Diels-Alder reactions (2020) Organic and Biomolecular Chemistry, 18 (6), pp. 1104-1111. https://doi.org/10.1039/c9ob02671a
Forastieri, P.S., Luna, L.E., Cravero, R.M., Labadie, G.R. A Synthetic Approach to PW2-Like Compounds (2020) ChemistrySelect, 5 (5), pp. 1776-1780 https://doi.org/10.1002/slct.201903654
Vignaduzzo, S.E., Maggio, R.M., Olivieri, A.C. Why should the pharmaceutical industry claim for the implementation of second-order chemometric models—A critical review (2020) Journal of Pharmaceutical and Biomedical Analysis, 179, art. no. 112965 https://doi.org/10.1016/j.jpba.2019.112965
D’Angelo, M., Martino, G.P., Blancato, V.S., Espariz, M., Hartke, A., Sauvageot, N., Benachour, A., Alarcón, S.H., Magni, C. Diversity of volatile organic compound production from leucine and citrate in Enterococcus faecium (2020) Applied Microbiology and Biotechnology, 104 (3), pp. 1175-1186 https://doi.org/10.1007/s00253-019-10277-4
Drusin, S.I., Rasia, R.M., Moreno, D.M. Study of the role of Mg2+ in dsRNA processing mechanism by bacterial RNase III through QM/MM simulations (2020) Journal of Biological Inorganic Chemistry, 25 (1), pp. 89-98 https://doi.org/10.1007/s00775-019-01741-7
Alcaraz, M.R., Culzoni, M.J., Ibañez, G.A., Lozano, V.A., Olivieri, A.C. On second-order calibration based on multivariate curve resolution in the presence of highly overlapped profiles (2020) Analytica Chimica Acta, 1096, pp. 53-60 https://doi.org/10.1016/j.aca.2019.10.053
Camí, G.E., Brusau, E.V., Narda, G.E., Maggio, R.M. Dual approach for concomitant monitoring of dissolution and transformation at solid-state. Mebendazole salts case study (2020) Journal of Drug Delivery Science and Technology, 55, art. no. 101344 https://doi.org/10.1016/j.jddst.2019.101344
Parodi, A.R., Merlo, C., Córdoba, A., Palopoli, C., Ferreyra, J., Signorella, S., Ferreira, M.L., Magario, I. Application of metal complexes as biomimetic catalysts on glycerol oxidation (2020) Molecular Catalysis, 481, art. no. 110236 https://doi.org/10.1016/j.mcat.2018.11.007
Zanardi, M.M., Marcarino, M.O., Sarotti, A.M. Redefining the Impact of Boltzmann Analysis in the Stereochemical Assignment of Polar and Flexible Molecules by NMR Calculations (2020) Organic Letters, 22 (1), pp. 52-56 https://doi.org/10.1021/acs.orglett.9b03866
Allegrini, F., Olivieri, A.C. 2.20 – Figures of Merit (2020) Comprehensive Chemometrics: Chemical and Biochemical Data Analysis, Second Edition: Four Volume Set, 2, pp. 441-463. https://doi.org/10.1016/B978-0-12-409547-2.14612-8
Vallejos, M.M., Labadie, G.R.Insight into the factors controlling the equilibrium of allylic azides (2020) RSC Advances, 10 (8), pp. 4404-4413 https://doi.org/10.1039/c9ra10093h
Vargas, D.F., Romero, B.S., Larghi, E.L., Kaufman, T.S. Rhodium(III)-Catalyzed C-H Activation-Based First Total Synthesis of 6- O -Methyl Anciscochine, an Alkaloid Isolated from Ancistrocladus tectorius (2020) Synthesis (Germany), 52 (1), art. no. ss-2019-m0489-op, pp. 119-126 https://doi.org/10.1055/s-0039-1690701
Real, D., Orzan, L., Leonardi, D., Salomon, C.J. Improving the Dissolution of Triclabendazole from Stable Crystalline Solid Dispersions Formulated for Oral Delivery (2020) AAPS PharmSciTech, 21 (1), art. no. 16 https://doi.org/10.1208/s12249-019-1551-4
García, A., Pérez, L.M., Piccirilli, G.N., Verdini, R.A. Evaluation of antioxidant, antibacterial and physicochemical properties of whey protein-based edible films incorporated with different soy sauces (2020) LWT, 117, art. no. 108587 https://doi.org/10.1016/j.lwt.2019.108587