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

CHEMISTRY-A EUROPEAN JOURNAL; Lugar: Weinheim; Año: 2023

CORTÉS, I.; SAROTTI, A.M.*

E/Z configuration determination of oximes and related derivatives through quantum mechanics NMR calculations. Scope and limitations of the leading probabilistic methods.

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2023

CORTÉS, I.; SAROTTI, A.M.*

Road Map Toward Computer-Guided Total Synthesis of Natural Products. The Dysiherbol A Case Study: What if Serendipity Hadn’t Intervened?

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2023 vol. 88 p. 14156 - 14164

FRANCO, B. A.; LUCIANO, E. R.; SAROTTI, A.M.*; ZANARDI, M. M.*

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

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 2023 vol. 86 p. 2360 - 2367

PIZZIO, M. G.; CENIZO, Z. B.; MÉNDEZ, L.; SAROTTI, A.M.; MATA, E. G.*

InCl3-catalyzed intramolecular carbonyl–olefin metathesis

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2023 vol. 21 p. 8141 - 8151

TSAI, Y. H.; AIRA, N.; ENSINCK, D.; BANCHIO, C.; GRAMAJO, H.; SUÁREZ, A.G.; SPANEVELLO, R.A.; SAROTTI, A.M.*

Synthesis of Levoglucosenone-derived Thiosemicarbazones as Promising Antituberculosis Agents

ChemistrySelect; Lugar: Weinheim; Año: 2023 vol. 8 p. 1 - 9

CORTÉS, I.; CUADRADO, C.; HERNÁNDEZ DARANAS, A.*; SAROTTI, A.M.*

Machine learning in computational NMR-aided structural elucidation

Frontiers in Natural Products; Lugar: Lausana; Año: 2023 vol. 2 p. 1 - 11

MARCARINO, M. O.; CICETTI, S.; ZANARDI, M. M.*; SAROTTI, A.M.*

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

NATURAL PRODUCT REPORTS; Lugar: CAMBRIDGE; Año: 2022 vol. 39 p. 58 - 76

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. *

Discovery of unusual dimeric piperazyl cyclopeptides encoded by a Lentzea flaviverrucosa DSM 44664 biosynthetic supercluster

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA; Lugar: Washington DC, USA; Año: 2022 vol. 19 p. 1 - 10

UZ ZAMAN, K. H. A.; SAROTTI, A.M.; WU, X.; CAO, S.*

Polyketides, diketopiperazines and an isochromanone from the marinederived fungal strain Fusarium graminearum FM1010 from Hawaii

PHYTOCHEMISTRY; Lugar: Amsterdam; Año: 2022 vol. 198 p. 113138 - 113146

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?

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2022 vol. 2022 p. 1 - 7

UZ ZAMAN, K. H. A.; WU, X.; SAROTTI, A.M.; CAO, S.*

New and bioactive polyketides from Hawaiian marine-derived fungus Trichoderma sp. FM652

NATURAL PRODUCT RESEARCH; Lugar: Londres; Año: 2022 vol. 36 p. 1 - 7

LI, C.; SAROTTI, A.M.; HERNÁNDEZ DARANAS, A.; WU, X.; ZHENG, S. L.; BLODGETT, J. A. ; CAO, S.*

Chemical Stability of Petrichorins

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2022 vol. 87 p. 16847 - 16850

CUADRADO, C.; HERNÁNDEZ DARANAS, A.*; SAROTTI, A.M.*

May the Force (Field) Be with You: On the Importance of Conformational Searches in the Prediction of NMR Chemical Shifts

MARINE DRUGS; Lugar: Basel; Año: 2022 vol. 20 p. 1 - 12

TSAI, Y. H.; AMICHETTI, M. ; ZANARDI, M. M.; GRIMSON, R.; HERNÁNDEZ DARANAS, A.; SAROTTI, A.M.*

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

ORGANIC LETTERS; Lugar: Washington; Año: 2022 vol. 24 p. 7487 - 7491

GONZALEZ LOPEZ, E. J.; SAROTTI, A.M.; MARTINEZ, S.; 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

CHEMISTRY-A EUROPEAN JOURNAL; Lugar: Weinheim; Año: 2022 vol. 28 p. 1 - 12

HERNÁNDEZ DARANAS, A.*; SAROTTI, A.M.*

Are Computational Methods Useful for Structure Elucidation of Large and Flexible Molecules? Belizentrin as a Case Study

ORGANIC LETTERS; Lugar: Washington; Año: 2021 vol. 23 p. 503 - 507

D. SRINIVAS REDDY; BEDURU SRINIVAS; KAVITHA RACHINENI; BHARATAM JAGADEESH; ARIEL M. SAROTTI; DEBENDRA K. MOHAPATRA*

BF3·OEt2‑Catalyzed Unexpected Stereoselective Formation of 2,4- trans-Diallyl-2-methyl-6-aryltetrahydro‑2H‑pyrans with Quaternary Stereocenters

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2021 vol. 86 p. 6518 - 6527

ZANARDI, M. M.; SAROTTI, A.M.*

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

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2021 vol. 86 p. 8544 - 8548

WANG, C.; SAROTTI, A.M.; UZ ZAMAN, K. H. A.; WU, X.; CAO, S.*

New Alkaloids From a Hawaiian Fungal Strain Aspergillus felis FM324

Frontiers in Chemistry; Año: 2021 vol. 9

SIMONETTI, S.O.*; KAUFMAN, T.S.; RASIA, R.; SAROTTI, A.M.; GRIMBLAT, N.*

Thermal decomposition of hexamethylenetetramine: mechanistic study and identification of reaction intermediates via a computational and NMR approach

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2021 vol. 19 p. 7374 - 7378

WANG, C.; UZ ZAMAN, K. H. A.; SAROTTI, A.M.; WU, X.; ZHENG, S. L.; CAO, S.*

NF-κB inhibitory, antimicrobial and antiproliferative potentials of compounds from Hawaiian fungus Aspergillus polyporicola FS910

3BIOTECH; Lugar: Washington; Año: 2021 vol. 11

TSAI, Y. H.; BORINI ETICHETT, 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

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Lugar: Amsterdam; Año: 2020 vol. 30 p. 127247 - 127251

GEROSA, G. G.; MARCARINO, M. O.; SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.*

Re-Engineering Organocatalysts for Asymmetric Friedel−Crafts Alkylation of Indoles through Computational Studies

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2020 vol. 85 p. 9969 - 9978

MARCARINO, M. O.; ZANARDI, M. M.; CICETTI, S.; SAROTTI, A.M.*

NMR calculations with quantum methods: development of new tools for structural elucidation and beyond

ACCOUNTS OF CHEMICAL RESEARCH; Lugar: Washington; Año: 2020 vol. 53 p. 1922 - 1932

SAROTTI, A.M.*

In Silico Reassignment of (+)-Diplopyrone by NMR Calculations: Use of a DP4/J-DP4/DP4+/DIP Tandem to Revise Both Relative and Absolute Configuration

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2020 vol. 85 p. 11566 - 11570

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

ORGANIC LETTERS; Lugar: Washington; Año: 2020 vol. 22 p. 52 - 56

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

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2020 vol. 18 p. 1104 - 1111

SAROTTI, A.M.*

Quantum chemical computation and machine learning in NMR

MAGNETIC RESONANCE IN CHEMISTRY; Lugar: LOndres; Año: 2020 vol. 58 p. 477 - 477

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

ORGANIC LETTERS; Lugar: Washington; Año: 2020 vol. 22 p. 3561 - 3565

WANG, F.; SAROTTI, A.M.; JIAN, G.; HUGHET-TAPIA, J. C.; ZHENG, S. L.; WU, X.; LI, C.; DING, Y.; CAO, S.*

Waikikiamides A−C: Complex Diketopiperazine Dimer and Diketopiperazine−Polyketide Hybrids from a Hawaiian Marine Fungal Strain Aspergillus sp. FM242

ORGANIC LETTERS; Lugar: Washington; Año: 2020 vol. 22 p. 4408 - 4412

LI, C.; SAROTTI, A.M.; WU, X.; YANG, B.; TURKSON, J.; CHEN, Y.; LIU, Q.; CAO, S.*

An Unusual Benzoisoquinoline-9-one Derivative and Other Related Compounds with Antiproliferative Activity from Hawaiian Endophytic Fungus Peyronellaea sp. FT431

MOLECULES; Lugar: Basel; Año: 2019 vol. 24 p. 1 - 11

ZANARDI, M.M.; SORTINO, M. A.; SAROTTI, A.M.*

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

CARBOHYDRATE RESEARCH; Lugar: Amsterdam; Año: 2019 vol. 474 p. 72 - 79

GRIMBLAT, N.; GAVIN, J. A.; HERNÁNDEZ DARANAS, A.*; SAROTTI, A.M.*

Combining the Power of J Coupling and DP4 Analysis on Stereochemical Assignments: The J‑DP4 Methods

ORGANIC LETTERS; Lugar: Washington; Año: 2019

STORTZ, C. A.*; SAROTTI, A.M.*

Exhaustive exploration of the conformational landscape of mono- and disubstituted fivemembered rings by DFT and MP2 calculations

RSC Advances; Año: 2019 vol. 9 p. 24134 - 24145

DELLA-FELICE, F.; SAROTTI, A.M.; KRISCHE, M. J.*; PILLI, R.A.*

Total Synthesis and Structural Validation of Phosdiecin A via Asymmetric Alcohol-Mediated Carbonyl Reductive Coupling

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Lugar: Washington; Año: 2019 vol. 141 p. 13778 - 13782

DELLA-FELICE, F.; DE ASSIS, F. F.; SAROTTI, A.M.; PILLI, R.A.*

Palladium-Catalyzed Formation of Substituted Tetrahydropyrans: Mechanistic Insights and Structural Revision of Natural Products

SYNTHESIS-STUTTGART; Año: 2019

LI, C.; SAROTTI, A.M.; YOSHIDA, W.; CAO, S.*

Two new polyketides from Hawaiian endophytic fungus Pestalotiopsis sp. FT172

TETRAHEDRON LETTERS; Lugar: Amsterdam; Año: 2018 vol. 59 p. 42 - 45

DELLA-FELICE, F.; PILLI, R.A.*; SAROTTI, A.M.*

Computer-Guided Total Synthesis of Natural Products. Recent Examples and Future Perspectives

JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY; Lugar: San Pablo; Año: 2018

HEREDIA, D. A.; DURANTINI, A. M.; SAROTTI, A.M.; GSPONER, N. S.; FERREYRA, D. D.; BERTOLOTTI, S. G.; MILANESIO, M. E.; DURANTINI, E. N.*

Proton-Dependent Switching of a Novel Amino Chlorin Derivative as Fluorescent Probe and Photosensitizer for Acid Media

CHEMISTRY-A EUROPEAN JOURNAL; Lugar: Weinheim; Año: 2018

RIVEIRA, M. J.*; SAROTTI, A.M.*

NMR and experimental reinvestigation of the condensation reaction between γ-methylene- α,β-unsaturated aldehydes and propargyl aldehydes

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2018

TSAI, Y. H.; BORINI ETICHETT, C. M.; DI BENEDETTO, C.; GIRARDINI, J. E.; MARTINS, F. T.; SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.*

Synthesis of triazole derivatives of levoglucosenone as promising anticancer agents. Effective exploration of the chemical space through retro-aza-Michael//aza-Michael isomerizations

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2018

COMBA, M. B.; TSAI, Y. H.; SAROTTI, A.M.; MANGIONE, M.I.; SUÁREZ, A.G.; SPANEVELLO, R.A.*

Levoglucosenone and Its New Applications: Valorization of Cellulose Residues

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2018

SAROTTI, A.M.*

Structural revision of two unusual rhamnofolane diterpenes, curcusones I and J, by means of DFT calculations of NMR shifts and coupling constants

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2018

CHAPELETTI DA SILVA, C.; MEDANHA VALDO, A. K.; DO NASCIMENTO NETO, J. A.; RIBEIRO, L.; SAROTTI, A.M.; MARTINS, F. T.*

Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus basepairing homosynthon

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2018 vol. 20 p. 3049 - 3057

CAI, Y.*; SAROTTI, A.M.; ZHOU, T. L.; HUANG, R.; QIU, G.; TIAN, C.; MIAO, Z. H.; MANDI, A.; KURTAN, T.; CAO, S.*; YANG, S. P.*

Flabellipparicine, a Flabelliformide-Apparicine-Type Bisindole Alkaloid from Tabernaemontana divaricata

JOURNAL OF NATURAL PRODUCTS; Lugar: Washington; Año: 2018 vol. 81 p. 1976 - 1983

ZANARDI, M.M.; BIGLIONE, F. A.; SORTINO, M. A.; SAROTTI, A.M.*

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

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2018

COMBA, M. B.; MANGIONE, M.I.; SUÁREZ, A.G.; SAROTTI, A.M.; SPANEVELLO, R.A.*

A Domino Epoxide Ring-Opening Xanthate Migration Reaction: An Alternative Entry to Thiosugars

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2018 p. 6848 - 6856

MARTINS, F. T.*; QUEIROZ MAIA, L. J.; DA SILVA NETO, L.; MOREIRA DA SILVA, C.; SAROTTI, A.M.; DE FÁTIMA, A.*

Solvatomorphs of 25,26,27,28- tetrahydroxycalix[4]arene and 5,11,17,23-tetramino-25,26,27,28-tetrabutoxycalix[4]arene: quenching photoluminescence through switching the guest

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 1792 - 1800

LI, C.; SAROTTI, A.M.; TURKSON, J.; CAO, S.*

Verbenanone, an octahydro-5H-chromen-5-one from a Hawaiian-Plant Associated Fungus FT431

TETRAHEDRON LETTERS; Lugar: Amsterdam; Año: 2017 vol. 58 p. 2290 - 2293

LI, C.; SAROTTI, A.M.; HUANG, P.; DANG, U. T.; HURDLE, J.; KONDRATYUK, T. P. ; PEZZUTO, J. M. ; TURKSON, J.; CAO, S.*

NF-KB inhibitors, unique gamma-pyranol-gamma-lactams with sulfide and sulfoxide moieties from Hawaiian plant Lycopodiella cernua derived fungus Paraphaeosphaeria neglecta FT462

Scientific Reports - Nature; Año: 2017 vol. 7 p. 1 - 10

ZANARDI, M.M.; SUÁREZ, A.G.; SAROTTI, A.M.*

Determination of the Relative Configuration of Terminal and Spiroepoxides by Computational Methods. Advantages of the Inclusion of Unscaled Data

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2017 vol. 82 p. 1873 - 1879

CAI, Y. ; SAROTTI, A.M.; GUNDISCH, D.; KONDRATYUK, T. P.; PEZZUTO, J. M.; TURKSON, J.; CAO, S.*

Heliotropiumides A and B, new phenolamides with N-carbamoyl putrescine moiety from Heliotropium foertherianum collected in Hawaii and their biological activities

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS; Lugar: Amsterdam; Año: 2017 vol. 27 p. 4630 - 4634

GEROSA, G. G.; GRIMBLAT, N.; SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.*

Mechanistic insight into the acid-catalyzed isomerization of biomass-derived polysubstituted pyrrolidines: an experimental and DFT study

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2017 vol. 15 p. 426 - 434

DO NASCIMENTO NETO, J. A.; CHAPELETTI DA SILVA, C.; RIBEIRO, L.; VASCONCELOS, G. A.; GONTIJO VAZ, G.; SOUSA FERREIRA, V.; KENG QUEIRIOZ JR., L. H.; QUEIROZ MAIA, L. J.; SAROTTI, A.M.; MARTINS, F. T.*

Probing the Competition between Acetate and 2,2?-Bipyridine Ligands to Bind to d-Block 12 Group Metals: Molecular and Structural Diversity towards High-Efficiency Luminescent Materials

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2017 vol. 41 p. 12843 - 12853

LI, C.; SAROTTI, A.M.; YANG, B.; TURKSON, J.; CAO, S.*

A New N-methoxypyridone from the Co-Cultivation of Hawaiian Endophytic Fungi Camporesia sambuci FT1061 and Epicoccum sorghinum FT1062

MOLECULES; Lugar: Basel; Año: 2017 vol. 22 p. 1166 - 1173

MARTINS, F. T.*; DE FREITAS OLIVEIRA, B. G. ; SAROTTI, A.M.; DE FÁTIMA, A.*

Winged-Cone Conformation in Hexa-p‑tert-butylcalix[6]arene Driven by the Unusually Strong Guest Encapsulation

ACS Omega; Año: 2017 vol. 2 p. 5315 - 5323

MEDANHA VALDO, A. K. ; CHAPELETTI DA SILVA, C.; QUEIROZ MAIA, L. J.; SAROTTI, A.M.; MARTINS, F. T.*

Experimental and Theoretical Second Harmonic Generation and Photoluminescence from the Pseudo-Centrosymmetric Dihydrochloride Salt Dihydrate of trans-1,2-bis(4-pyridyl)ethane

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 346 - 354

HUANG, P.; LI, C.; SAROTTI, A.M.; TURKSON, J.; CAO, S.*

Sphaerialactonam, a gamma-lactam-isochromanone from the Hawaiian endophytic fungus Paraphaeosphaeria sp. FT462

TETRAHEDRON LETTERS; Lugar: Amsterdam; Año: 2017 vol. 58 p. 1330 - 1333

DELLA-FELICE, F.; SAROTTI, A.M.; PILLI, R.A.*

Catalytic Asymmetric Synthesis and Stereochemical Revision of (+)-Cryptoconcatone H

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2017 vol. 82 p. 9191 - 9197

MEDANHA VALDO, A. K.; SAROTTI, A.M.; MARTINS, F. T.*

Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 5960 - 5965

GRIMBLAT, N.N.; SAROTTI, A.M.; PISANO, P.L.; PELLEGRINET, S.C.

alfa-Hydroxyacids accelerate the Diels-Alder reaction of dibutyl vinylboronate with cyclopentadiene: experimental results and mechanistic insights

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2016 vol. 40 p. 1966 - 1969

COMBA, M. B.; SUÁREZ, A.G.; SAROTTI, A.M.; MANGIONE, M.I.; SPANEVELLO, R.A.*; GIORDANO, E.D.

Synthesis of a 3-Thiomannoside

ORGANIC LETTERS; Lugar: Washington; Año: 2016 vol. 18 p. 1748 - 1751

KARAK, M.; BARBOSA, L.C.A.* ; ACOSTA, J.A.M.; SAROTTI, A.M.; BOUKOUVALAS, J.

Thermodynamically driven, syn-selective vinylogous aldol reaction of tetronamides

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2016 vol. 14 p. 4897 - 4907

GRIMBLAT, N.N.; SAROTTI, A.M.*

Computational chemistry to the rescue: modern toolboxes for the assignment of complex molecules by GIAO NMR calculations

CHEMISTRY-A EUROPEAN JOURNAL; Lugar: Weinheim; Año: 2016 vol. 22 p. 12246 - 12261

GRIMBLAT, N.; KAUFMAN, T.S.*; SAROTTI, A.M.*

Computational Chemistry Driven Solution to Rubriflordilactone B

ORGANIC LETTERS; Lugar: Washington; Año: 2016 vol. 18 p. 6420 - 6423

CORNE, V.; SAROTTI, A.M.; RAMÍREZ DE ARELLANO, C.; ROLANDO A. SPANEVELLO; SUÁREZ, A.G.*

Experimental and theoretical insights in alkenearene intramolecular pi-stacking interaction

BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY; Año: 2016 vol. 12 p. 1616 - 1623

GRIMBLAT, N.*; SAROTTI, A.M.; KAUFMAN, T.S.; SIMONETTI, S.O.*

A theoretical study of the Duff reaction: insights into its selectivity

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2016 vol. 14 p. 10496 - 10501

KARAK, M.; ACOSTA, J.A.M.; BARBOSA, L.C.A.*; SAROTTI, A.M.; DA SILVA, C. C.; BOUKOUVALAS, J.; MARTINS, F. T.

Substituent-modulated Conformation and Supramolecular Assembly of Tetronamides

CRYSTAL GROWTH & DESIGN; Lugar: Washington; Año: 2016 vol. 16 p. 5798 - 5810

GEROSA, G. G.; SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.*

Joint Experimental, in Silico, and NMR Studies toward the Rational Design of Iminium-Based Organocatalyst Derived from Renewable Sources

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2015 vol. 80 p. 7626 - 7634

BRITO, G. A.; SAROTTI, A.M.; PILLI, R.A.

Cascade cyclization triggered by imine formation. Formal synthesis of the alkaloid (±)-stemoamide and its 9a-epimer

TETRAHEDRON LETTERS; Lugar: Amsterdam; Año: 2015 vol. 56 p. 6664 - 6668

NOVAES, L.F.T.; SAROTTI, A.M.; PILLI, R.A.

Total Synthesis and Structural Elucidation of Cryptolatifolione

RSC Advances; Año: 2015 p. 53471 - 53476

GRIMBLAT, N.N.; ZANARDI, M.M.; SAROTTI, A.M.*

Beyond DP4: an improved probability for the stereochemical assignment of isomeric compounds using quantum chemical calculations of NMR shifts

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2015 vol. 80 p. 12526 - 12534

GIRI, G. F.; SAROTTI, A.M.*; SPANEVELLO, R.A.*

Understanding reactivity and regioselectivity in Diels?Alder reactions of a sugar-derived dienophile bearing two competing EWGs. An experimental and computational study

CARBOHYDRATE RESEARCH; Lugar: Amsterdam; Año: 2015 vol. 415 p. 54 - 59

ZURITA, M. A.; AVILA, A.; SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.*

Montmorillonite K-10 promoted synthesis of chiral dioxa-caged compounds derived from levoglucosenone

CARBOHYDRATE RESEARCH; Lugar: Amsterdam; Año: 2015 vol. 402 p. 67 - 70

ZANARDI, M.M.; SAROTTI, A.M.*

GIAO C-H COSY Simulations Merged with Artificial Neural Networks Pattern Recognition Analysis. Pushing the Structural Validation a Step Forward

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2015 vol. 80 p. 9371 - 9378

NOVAES, L.F.T.; SAROTTI, A.M.; PILLI, R.A.

Total Synthesis and Tentative Structural Elucidation of Cryptomoscatone E3: Interplay of Experimental and Computational Studies

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2015 vol. 80 p. 12027 - 12037

SAROTTI, A.M.

Unraveling polar Diels-Alder reactions with conceptual DFT analysis and the distortion/interaction model

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2014 vol. 12 p. 187 - 199

LLOMPART, D.F.; SAROTTI, A.M.*; CORNE, V.; SUÁREZ, A.G.; SPANEVELLO, R.A.*; ECHEVERRÍA, G.A.; PIRO, O.E.; CASTELLANO, E.E.

Asymmetric construction of substituted pyrrolidines via 1,3-dipolar cycloaddition of azomethine ylides and chiral acrylates derived from biomass

TETRAHEDRON LETTERS; Lugar: Amsterdam; Año: 2014 vol. 55 p. 2394 - 2397

SAROTTI, A.M.*

Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone

CARBOHYDRATE RESEARCH; Lugar: Amsterdam; Año: 2014 vol. 390 p. 76 - 80

SPANEVELLO, R.A.; SUÁREZ, A.G.; SAROTTI, A.M.

Fuentes alternativas de materia prima

EDUCACION QUIMICA; Año: 2013 vol. 24 p. 124 - 131

SAROTTI, A.M.

Successful combination of computationally inexpensive GIAO 13C NMR calculations and artificial neural network pattern recognition: a new strategy for simple and rapid detection of structural misassignments

ORGANIC & BIOMOLECULAR CHEMISTRY; Lugar: CAMBRIDGE; Año: 2013 vol. 11 p. 4847 - 4859

CORNE, V.; BOTTA, M. C.; GIORDANO, E.D.; GIRI, G. F.; LLOMPART, D.F.; BIAVA, H.D.; SAROTTI, A.M.; MANGIONE, M.I.; MATA, E.G.; SUÁREZ, A.G.; SPANEVELLO, R.A.

Cellulose recycling as a source of raw chirality

PURE AND APPLIED CHEMISTRY; Año: 2013 vol. 85 p. 1683 - 1692

SAROTTI, A.M.*; SPANEVELLO, R.A.; SUÁREZ, A.G.*; ECHEVERRÍA, G.A.; PIRO, O.E.

1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides with a Cellulose-Derived Chiral Enone. A Novel Route for Organocatalysts Development

ORGANIC LETTERS; Lugar: Washington; Año: 2012 vol. 14 p. 2556 - 2559

SAROTTI, A.M.; ZANARDI, M.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Recent Applications of Levoglucosenone as Chiral Synthon

CURRENT ORGANIC SYNTHESIS; Año: 2012 p. 439 - 459

SAROTTI, A.M.*; PELLEGRINET, S.C.*

Application of the Multi-standard Methodology for Calculating 1H NMR Chemical Shifts

JOURNAL OF ORGANIC CHEMISTRY; Lugar: Washington; Año: 2012 vol. 77 p. 6059 - 6065

MANGIONE, M.I.; SAROTTI, A.M.; SUÁREZ, A.G.; SPANEVELLO, R.A.

Experimental and theoretical study of a Diels–Alder reaction between a sugar-derived nitroalkene and cyclopentadiene

CARBOHYDRATE RESEARCH; Año: 2011 vol. 346 p. 460 - 464

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Microwave-assisted asymmetric Diels-Alder reaction using chiral auxiliaries derived from biomass

ARKIVOC - ONLINE JOURNAL OF ORGANIC CHEMISTRY; Año: 2011 p. 31 - 37

SAROTTI, A.M.; PISANO, P.L.; PELLEGRINET, S.C.

Evaluation of the use of mandelate derivatives to determine the enantiomeric purity and the absolute configuration of secondary cyclohexenols

ARKIVOC - ONLINE JOURNAL OF ORGANIC CHEMISTRY; Año: 2011 p. 343 - 357

SAROTTI, A.M.; SUÁREZ, A.G.; SPANEVELLO, R.A.

DFT calculations induced a regiochemical outcome revision of the Diels–Alder reaction between levoglucosenone and isoprene

TETRAHEDRON LETTERS; Año: 2011 vol. 52 p. 3116 - 3119

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Assessing the halogen effect in Diels–Alder reactions involving chiral a-haloenones. A combined experimental and DFT computational approach

TETRAHEDRON LETTERS; Año: 2011 vol. 52 p. 4145 - 4148

SAROTTI, A.M.; PISANO, P.L.; PELLEGRINET, S.C.

A facile microwave-assisted Diels–Alder reaction of vinylboronates

ORGANIC & BIOMOLECULAR CHEMISTRY; Año: 2010 vol. 8 p. 5069 - 5073

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Second generation levoglucosenone-derived chiral auxiliaries.Scope and application in asymmetric Diels-Alder reactions

TETRAHEDRON; Año: 2009 vol. 65 p. 3502 - 3508

SAROTTI, A.M.; PELLEGRINET, S.C.

Asymmetric Allylboration Reactions with Soderquist’s Chiral 10-Substituted-9-borabicyclo[3.3.2]decanes: A Theoretical Study

JOURNAL OF ORGANIC CHEMISTRY; Año: 2009 vol. 74 p. 3562 - 3565

PISANO, P.L.; SAROTTI, A.M.; PELLEGRINET, S.C.

An experimental/theoretical approach to determine the optical purity and the absolute configuration of endo -and exo -norborn-5-en-2-ol using mandelate derivatives

TETRAHEDRON LETTERS; Año: 2009 vol. 50 p. 6121 - 6125

SAROTTI, A.M.*; PELLEGRINET, S.C.*

A Multi-standard Approach for GIAO 13C NMR Calculations

JOURNAL OF ORGANIC CHEMISTRY; Año: 2009 vol. 74 p. 7254 - 7260

SAROTTI, A.M.; FERNÁNDEZ, I.; SPANEVELLO, R.A.; SIERRA, M.A.; SUÁREZ, A.G.

Pi-Stacking Effect on Levoglucosenone Derived Internal Chiral Auxiliaries. A Case of Complete Enantioselectivity Inversion on the Diels-Alder Reaction

ORGANIC LETTERS; Año: 2008 vol. 10 p. 3389 - 3392

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

An efficient microwave-assisted green transformation of cellulose into levoglucosenone. Advantages of the use of an experimental design approach

GREEN CHEMISTRY (PRINT); Año: 2007 vol. 9 p. 1137 - 1140

SAROTTI, A.M.; SPANEVELLO, R.A.; DUHAYON, C.; TUCHAGUES, J.P.; SUÁREZ, A.G.

Exploring structural effects of levoglucosenone derived chiral auxiliaries in asymmetric Diels-Alder cycloadditions

TETRAHEDRON; Año: 2007 vol. 63 p. 241 - 251

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Highly diastereoselective Diels-Alder reaction using a chiral auxiliary derived from levoglucosenone

ORGANIC LETTERS; Año: 2006 vol. 8 p. 1487 - 1490

SAROTTI, A.M.; JOULLIÉ, M.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

Microwave-Assisted regioselective cycloaddition reactions between 9-substituted anthracenes and levoglucosenone

ORGANIC LETTERS; Año: 2006 vol. 8 p. 5561 - 5564

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

A chiral auxiliary derived from levoglucosenone in asymmetric Diels-Alder transformations

TETRAHEDRON LETTERS; Año: 2005 vol. 46 p. 6987 - 6990

SAROTTI, A.M.; SPANEVELLO, R.A.; SUÁREZ, A.G.

A novel design of a levoglucosenone derived chiral auxiliary

TETRAHEDRON LETTERS; Año: 2004 vol. 45 p. 8203 - 8206