María M. Zanardi - Search Results

Year	Number of Results
2014	1
2015	2
2016	1
2017	1
2018	1
2019	2
2020	2
2021	1
2022	2
2023	2
2024	2

1

A critical review on the use of DP4+ in the structural elucidation of natural products: the good, the bad and the ugly. A practical guide.

Marcarino MO, Cicetti S, Zanardi MM, Sarotti AM. Marcarino MO, et al. Among authors: zanardi mm. Nat Prod Rep. 2022 Jan 26;39(1):58-76. doi: 10.1039/d1np00030f. Nat Prod Rep. 2022. PMID: 34212963 Review.

2

ML-J-DP4: An Integrated Quantum Mechanics-Machine Learning Approach for Ultrafast NMR Structural Elucidation.

Tsai YH, Amichetti M, Zanardi MM, Grimson R, Daranas AH, Sarotti AM. Tsai YH, et al. Org Lett. 2022 Oct 21;24(41):7487-7491. doi: 10.1021/acs.orglett.2c01251. Epub 2022 May 4. Org Lett. 2022. PMID: 35508069

3

Sensitivity Analysis of DP4+ with the Probability Distribution Terms: Development of a Universal and Customizable Method.

Zanardi MM, Sarotti AM. Zanardi MM, et al. J Org Chem. 2021 Jun 18;86(12):8544-8548. doi: 10.1021/acs.joc.1c00987. Epub 2021 Jun 8. J Org Chem. 2021. PMID: 34101443

4

DP4+App: Finding the Best Balance between Computational Cost and Predictive Capacity in the Structure Elucidation Process by DP4+. Factors Analysis and Automation.

Franco BA, Luciano ER, Sarotti AM, Zanardi MM. Franco BA, et al. Among authors: zanardi mm. J Nat Prod. 2023 Oct 27;86(10):2360-2367. doi: 10.1021/acs.jnatprod.3c00566. Epub 2023 Sep 18. J Nat Prod. 2023. PMID: 37721602

5

Breaking the DFT Energy Bias Caused by Intramolecular Hydrogen-Bonding Interactions with MESSI, A Structural Elucidation Method Inspired by Wisdom of Crowd Theory.

Marcarino MO, Passaglia L, Zanardi MM, Sarotti AM. Marcarino MO, et al. Among authors: zanardi mm. Chemistry. 2023 Jun 22;29(35):e202300420. doi: 10.1002/chem.202300420. Epub 2023 May 3. Chemistry. 2023. PMID: 36973182

6

Therapeutic potential of LINS01 histamine H₃ receptor antagonists as antineoplastic agents for triple negative breast cancer.

Ospital IA, Táquez Delgado MA, Nicoud MB, Corrêa MF, Borges Fernandes GA, Andrade IW, Lauretta P, Martínez Vivot R, Comba MB, Zanardi MM, Speisky D, Uriburu JL, Fernandes JPS, Medina VA. Ospital IA, et al. Biomed Pharmacother. 2024 Apr 4;174:116527. doi: 10.1016/j.biopha.2024.116527. Online ahead of print. Biomed Pharmacother. 2024. PMID: 38579399 Free article.

7

General Quantum-Based NMR Method for the Assignment of Absolute Configuration by Single or Double Derivatization: Scope and Limitations.

Zanardi MM, Biglione FA, Sortino MA, Sarotti AM. Zanardi MM, et al. J Org Chem. 2018 Oct 5;83(19):11839-11849. doi: 10.1021/acs.joc.8b01749. Epub 2018 Sep 13. J Org Chem. 2018. PMID: 30180574

8

The Risks of Automation: A Study on DFT Energy Miscalculations and Its Consequences in NMR-based Structural Elucidation.

Marcarino MO, Zanardi MM, Sarotti AM. Marcarino MO, et al. Among authors: zanardi mm. Org Lett. 2020 May 1;22(9):3561-3565. doi: 10.1021/acs.orglett.0c01001. Epub 2020 Apr 14. Org Lett. 2020. PMID: 32286840

9

Redefining the Impact of Boltzmann Analysis in the Stereochemical Assignment of Polar and Flexible Molecules by NMR Calculations.

Zanardi MM, Marcarino MO, Sarotti AM. Zanardi MM, et al. Org Lett. 2020 Jan 3;22(1):52-56. doi: 10.1021/acs.orglett.9b03866. Epub 2019 Dec 13. Org Lett. 2020. PMID: 31833778

10

On the effect of intramolecular H-bonding in the configurational assessment of polyhydroxylated compounds with computational methods. The hyacinthacines case.

Zanardi MM, Sortino MA, Sarotti AM. Zanardi MM, et al. Carbohydr Res. 2019 Feb 15;474:72-79. doi: 10.1016/j.carres.2019.01.011. Epub 2019 Jan 28. Carbohydr Res. 2019. PMID: 30798018

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