Publications
2025
In silico study of active delivery of a photodynamic therapy drug targeting the folate receptor
Photochemical & Photobiological Sciences , 24 , 1127-1136 , 2025 , Impact Factor: 3.2 , Q2
Rational molecular design of two-photon activated temoporfin: a computational study for advanced photodynamic therapy
Physical Chemistry Chemical Physics , 27 (27) , 14379-14390 , 2025 , Impact Factor: 2.9 , Q2
2024
Efficient Delivering of a Photodynamic Therapy Drug into Cellular Membranes Rationalized by Molecular Dynamics
The Journal of Physical Chemistry B , 128 (47) , 11625–11633 , 2024 , Impact Factor: 2.8 , Q3
Intersystem crossing in a dibenzofuran-based room temperature phosphorescent luminophore investigated by non-adiabatic dynamics
Physical Chemistry Chemical Physics , 26 (33) , 22261-22268 , 2024 , Impact Factor: 2.9 , Q1
2023
The photophysical properties of sulfone-based TADF emitters in relation to their structural properties
Physical Chemistry Chemical Physics , 25 (45) , 31457-31470 , 2023 , Impact Factor: 3.3 , Q2
Novel Synthetic Approach towards Amino-Substituted Polycyclic Aromatic Hydrocarbons through Electrocyclization of Keteniminium Salts
Helvetica Chimica Acta , 106 (9) , e202300085 , 2023 , Impact Factor: 1.8 , Q3
Photophysical Properties of Boron-Based Chromophores as Effective Moieties in TADF Devices: A Computational Study
ChemPhotoChem , 7 (12) , e202300147 , 2023 , Impact Factor: 3.7 , Q2
Stereoselective Synthesis and Biological Profile of All Stereoisomers of Lactam Analogues of Strigolactones GR24 and GR18
Helvetica Chimica Acta , 106 (1) , e202200145 , 2023 , Impact Factor: 1.8 , Q3
2022
Efficient Synthesis of 9-Aminophenanthrenes and Heterocyclic Analogues by Electrocyclization of Biaryl Keteniminium Salts
Helvetica Chimica Acta , 105 , e202200093 , 2022 , Impact Factor: 2.201 , Q3
Computational descriptor analysis on excited state behaviours of a series of TADF and non-TADF compounds
Physical Chemistry Chemical Physics , 24 (26) , 16167-16182 , 2022 , Impact Factor: 3.945 , Q2
A Short and Versatile Approach for the Synthesis of Pyrrolizidinones
Helvetica Chimica Acta , 105 (3) , e202100226 , 2022 , Impact Factor: 2.201 , Q3
Photophysical Properties of Benzophenone Based TADF Emitters in Relation to Their Molecular Structure
Journal of Physical Chemistry A , 126 (4) , 473-484 , 2022 , Impact Factor: 2.781 , Q2
Impact of Deamidation on the Structure and Function of Antiapoptotic Bcl-xL
Journal of Chemical Information and Modeling , 62 (1) , 102-115 , 2022 , Impact Factor: 4.956 , Q1
2021
Synthesis of Highly Substituted Cyclobutanones by a One-Pot Keteniminium-Enamine Process
Helvetica Chimica Acta , 104 (5) , e2100022 , 2021 , Impact Factor: 2.201 , Q3
2020
Optical properties of photodynamic therapy drugs in different environments: the paradigmatic case of temoporfin
Physical Chemistry Chemical Physics , 22 (29) , 16956-16964 , 2020 , Impact Factor: 3.43 , Q1
Photophysical, kinetic and thermodynamic study of one-component Type II thioxanthone acetic acid photoinitiators
European Polymer Journal , 136 , 109909 , 2020 , Impact Factor: 3.899 , Q1
Keteniminium Salts: Reactivity and Propensity Toward Electrocyclization Reactions
The Journal of Organic Chemistry , 85 (2) , 449-463 , 2020 , Impact Factor: 2.309 , Q2
Keteniminium Salts as Key Intermediates for the Efficient Synthesis of 3‐Amino‐Indoles and ‐Benzofurans
Helvetica Chimica Acta , 103 (1) , e1900217 , 2020 , Impact Factor: 1.394 , Q3
Elucidation of the Mechanism of Silver-Catalyzed Inverse Electron-Demand Diels-Alder (IEDDA) Reaction of 1,2- Diazines and Siloxy Alkynes
ChemCatChem , 12 (1) , 366-372 , 2020 , Impact Factor: 4.495 , Q2
Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines
Macromolecules , 53 (10) , 3832–3846 , 2020 , Impact Factor: 5.918 , Q1
Total Synthesis and Biological Evaluation of Zealactone 1a/b
Helvetica Chimica Acta , 103 (4) , e2000017 , 2020 , Impact Factor: 2.309 , Q2
2019
Design and Synthesis of Novel Indoline-(Thio)urea Hybrids
Synthetic Communications , 49 (24) , 3510-3527 , 2019 , Impact Factor: 1.497 , Q3
Exploring the Photophysics of Polyfluorinated Phthalocyanine Derivatives as Potential Theranostic Agents
The Journal of Physical Chemistry C , 123 (40) , 24417-24425 , 2019 , Impact Factor: 4.537 , Q1
Synthesis of Benzazepinones via Intramolecular Cyclization Involving Ketene Iminium Intermediates
Helvetica Chimica Acta , 102 (9) , 1-7 , 2019 , Impact Factor: 1.394 , Q3
Straightforward Synthesis of 3‐Aminothiophenes Using Activated Amides
Helvetica Chimica Acta , 102 (4) , e1900031 , 2019 , Impact Factor: 1.394 , Q3
Theoretical Investigation of Thiol-Ene Click Reactions: A DFT Perspective
European Polymer Journal , 110 , 211-220 , 2019 , Impact Factor: 3.741 , Q1
2018
Theoretical Insight into the Regioselective Ring-Expansions of Bicyclic Aziridinium Ions
Organic and Biomolecular Chemistry , 16 (5) , 796-806 , 2018 , Impact Factor: 3.564 , Q1
Rationalizing the Regioselectivity of Cationic Ring-Opening Polymerization of Benzoxazines
European Polymer Journal , 105 , 61-67 , 2018 , Impact Factor: 3.531 , Q1
An Improved Procedure for the Beckmann Rearrangement of Cyclobutanones
Tetrahedron Letters , 59 (20) , 1896-1901 , 2018 , Impact Factor: 2.193 , Q2
Use of 3-Hydroxy-4-(trifluoromethyl)azetidin-2-ones as Building Blocks for the Preparation of Trifluoromethyl-Containing Aminopropanes, 1,3-Oxazinan-2-ones, Aziridines, and 1,4-Dioxan-2-ones
Synthesis , 50 (7) , 1439-1456 , 2018 , Impact Factor: 2.689 , Q1
Access to 3-Aminobenzothiophenes and 3-Aminothiophenes Fused to 5-membered Heteroaromatic Rings Through 6π-Electrocyclization Reaction of Keteniminium Salts
Tetrahedron Letters , 59 (34) , 3242-3248 , 2018 , Impact Factor: 2.193 , Q2
Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical Rationalization
Biochemistry , 57 (9) , 1542-1551 , 2018 , Impact Factor: 2.938 , Q1
Photophysical Properties of Novel Two-Photon Absorbing Dyes: Assessing Their Possible Use for Singlet Oxygen Generation
The Journal of Physical Chemistry C , 122 (28) , 16315-16324 , 2018 , Impact Factor: 4.484 , Q1
2017
Hydroxyl Radical-Mediated Degradation of Diclofenac Revisited: A Computational Approach to Assessment of Reaction Mechanisms and by-products
Environmental Science and Pollution Research , 24 (22) , 18458–18469 , 2017 , Impact Factor: 3.028 , Q2
Design of A Thermally Controlled Sequence of Triazolinedione-Based Click and Transclick Reactions
Chemical Science , 8 (4) , 3098-3108 , 2017 , Impact Factor: 9.144 , Q1
Synthesis of 4-membered Ring Alkaloid Analogues via Intramolecular [2+2] Cycloaddition Involving Keteniminium Salt Intermediates
Tetrahedron Letters , 58 (30) , 2904-2909 , 2017 , Impact Factor: 2.193 , Q2
Tandem Addition of Phosphite Nucleophiles Across Unsaturated Nitrogen-Containing Systems: Mechanistic Insights on Regioselectivity
The Journal of Organic Chemistry , 82 (1) , 188-201 , 2017 , Impact Factor: 4.785 , Q1
Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines
The Journal of Organic Chemistry , 82 (19) , 10092-10109 , 2017 , Impact Factor: 4.849 , Q1
Probing Optical Properties of Thiophene Derivatives for Two-Photon Absorption
Theoretical Chemistry Accounts , 136 (6) , 2017 , Impact Factor: 1.806 , Q3
2016
Effect of Lewis Acids on the Stereoregularity of N,N-dimethyl Acrylamide: A Computational Approach
European Polymer Journal , 83 , 67-76 , 2016 , Impact Factor: 3.485 , Q1
New Access to Quaternary Aminocyclobutanes via Nucleophilic Addition on Cyclobutaniminium Salts
Tetrahedron Letters , 57 (31) , 3510-3514 , 2016 , Impact Factor: 2.347 , Q2
Synthesis of Amino-Cyclobutanes via [2 + 2] Cycloadditions Involving Keteniminium Intermediates
Tetrahedron Letters , 57 (25) , 2697-2702 , 2016 , Impact Factor: 2.379 , Q2
Influence of Solvation and Dynamics on the Mechanism and Kinetics of Nucleophilic Aromatic Substitution Reactions in Liquid Ammonia
The Journal of Organic Chemistry , 81 (4) , 1635-1644 , 2016 , Impact Factor: 4.721 , Q1
Computational Studies on Cinchona Alkaloid-Catalyzed Asymmetric Organic Reactions
Accounts of Chemical Research , 49 (6) , 1250-1262 , 2016 , Impact Factor: 22.003 , Q1
2015
PPV Polymerization through the Gilch Route: Diradical Character of Monomers
Chemistry – A European Journal , 21 (52) , 19176-19185 , 2015 , Impact Factor: 5.731 , Q1
Cinchona Alkaloid Catalyzed Asymmetric Desymmetrization of meso‐Cyclic Anhydrides: The Origins of Stereoselectivity
ChemCatChem , 7 (24) , 4173-4179 , 2015 , Impact Factor: 4.566 , Q1
Access to Functionalized 3-Amino-Benzothiophenes Using Keteniminium Intermediates
Tetrahedron Letters , 56 (47) , 6541-6545 , 2015 , Impact Factor: 2.379 , Q2
Synthesis of Poly(2-oxazoline)s with Side Chain Methyl Ester Functionalities: Detailed Understanding of Living Copolymerization Behavior of Methyl Ester Containing Monomers with 2-Alkyl-2-oxazolines
Journal of Polymer Science Part A-Polymer Chemistry , 53 (22) , 2649-2661 , 2015 , Impact Factor: 3.113 , Q1
Efficient Access to Functionalized Cyclobutanone Derivatives Using Cyclobuteniminium Salts as Highly Reactive Michael Acceptors
Tetrahedron Letters , 56 (19) , 2397-2401 , 2015 , Impact Factor: 2.379 , Q2
Possibility of [1,5] Sigmatropic Shifts in Bicyclo[4.2.0]octa-2,4-dienes
The Journal of Organic Chemistry , 80 (5) , 2609-2620 , 2015 , Impact Factor: 4.721 , Q1
Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1
European Journal of Organic Chemistry , 2016 (6) , 1211-1217 , 2015 , Impact Factor: 3.065 , Q1
Accelerated Living Cationic Ring-Opening Polymerization of A Methyl Ester Functionalized 2-Oxazoline Monomer
Polymer Chemistry , 6 (4) , 514-518 , 2015 , Impact Factor: 5.520 , Q1
2014
6π/10π-Electrocyclization of Ketene-Iminium Salts for the Synthesis of Substituted Naphthylamines
Tetrahedron Letters , 55 (15) , 2446-2449 , 2014 , Impact Factor: 2.397 , Q2
Synthesis of Cyclobuteniminium Salts Derived from Aldo-Keteniminium Salts and Study of Their Reactivity in Diels–Alder Reaction
Tetrahedron Letters , 55 (49) , 6721-6725 , 2014 , Impact Factor: 2.391 , Q2
Cycloaddition of Keteniminium with Terminal Alkynes toward Cyclobuteniminium and Their Use in Diels–Alder Reactions
Tetrahedron Letters , 55 (37) , 5147-5150 , 2014 , Impact Factor: 2.391 , Q2
2013
Cationic Ring-Opening Polymerization of 2-Propyl-2-oxazolines: Understanding Structural Effects on Polymerization Behavior Based on Molecular Modeling
ACS Macro Letters , 2 (8) , 651-654 , 2013 , Impact Factor: 5.242 , Q1
Diphosphonylation of Aromatic Diazaheterocycles and Theoretical Rationalization of Product Yields
European Journal of Organic Chemistry , 2013 (6) , 1058-1067 , 2013 , Impact Factor: 3.344 , Q1
Synthesis of 2‐Hydroxy‐1,4‐oxazin‐3‐ones through Ring Transformation of 3‐Hydroxy‐4‐(1,2‐dihydroxyethyl)‐β‐lactams and a Study of Their Reactivity
Chemistry – A European Journal , 19 (10) , 3383-3396 , 2013 , Impact Factor: 5.831 , Q1
2012
Solvent-Catalyzed Ring–Chain–Ring Tautomerization in Axially Chiral Compounds
Chemistry - A European Journal , 18 (40) , 12725-12732 , 2012 , Impact Factor: 5.831 , Q1
Free Radical Polymerization of Ethyl Methacrylate and Ethyl α-Hydroxy Methacrylate: A Computational Approach to the Propagation Kinetics
Polymer , 53 (15) , 3211-3219 , 2012 , Impact Factor: 3.968 , Q1
Diastereoselective Aldol Reaction of Zincated 3-Chloro-3-methyl-1-azaallylic Anions as Key Step in the Synthesis of 1,2,3,4-Tetrasubstituted 3-Chloroazetidines
The Journal of Organic Chemistry , 77 (7) , 3415-3425 , 2012 , Impact Factor: 4.564 , Q1
Solvent-Controlled Selective Transformation of 2-Bromomethyl-2-methylaziridines to Functionalized Aziridines and Azetidines
The Journal of Organic Chemistry , 77 (7) , 3181-3190 , 2012 , Impact Factor: 4.564 , Q1
Regioselectivity in the Ring Opening of Non-Activated Aziridines
Chemical Society Reviews , 41 (2) , 643-665 , 2012 , Impact Factor: 24.892 , Q1
2011
Scope and Mechanism of the (4+3) Cycloaddition Reaction of Furfuryl Cations
Angewandte Chemie International Edition , 50 (50) , 11990-11993 , 2011 , Impact Factor: 13.734 , Q1
Competitive Reactions of Organophosphorous Radicals on Coke Surfaces
Chemistry – A European Journal , 17 (43) , 12027-12036 , 2011 , Impact Factor: 5.925 , Q1
Reactivity of Activated versus Nonactivated 2-(Bromomethyl)aziridines with respect to Sodium Methoxide: A Combined Computational and Experimental Study
The Journal of Organic Chemistry , 76 (21) , 8698-8709 , 2011 , Impact Factor: 4.564 , Q1
Stereoselective Synthesis of cis-3,4-Disubstituted Piperidines through Ring Transformation of 2-(2-Mesyloxyethyl)azetidines
The Journal of Organic Chemistry , 76 (20) , 8364-8375 , 2011 , Impact Factor: 4.564 , Q1
Furan‐Oxidation‐Triggered Inducible DNA Cross‐Linking: Acyclic Versus Cyclic Furan‐Containing Building Blocks—On the Benefit of Restoring the Cyclic Sugar Backbone
Chemistry – A European Journal , 17 (25) , 6940-6953 , 2011 , Impact Factor: 5.925 , Q1
Synthesis of 3-Methoxyazetidines via an Aziridine to Azetidine Rearrangement and Theoretical Rationalization of the Reaction Mechanism
The Journal of Organic Chemistry , 76 (7) , 2157-2167 , 2011 , Impact Factor: 4.564 , Q1
2010
A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols
ChemCatChem , 2 (9) , 1122-1129 , 2010 , Impact Factor: 5.181 , Q1
Systematic Study of Halide-Induced Ring Opening of 2-Substituted Aziridinium Salts and Theoretical Rationalization of the Reaction Pathways
European Journal of Organic Chemistry , 2010 ((25)) , 4920-4931 , 2010 , Impact Factor: 3.344 , Q1
Kinetic and Mechanistic Study on the p-Quinodimethane Formation in the Sulfinyl Precursor Route for the Polymerization of Poly(p-phenylene vinylene) (PPV)
Macromolecules , 43 (18) , 7424-7433 , 2010 , Impact Factor: 5.521 , Q1
Opposite Regiospecific Ring Opening of 2-(Cyanomethyl)aziridines by Hydrogen Bromide and Benzyl Bromide: Experimental Study and Theoretical Rationalization
The Journal of Organic Chemistry , 75 (13) , 4530-4541 , 2010 , Impact Factor: 4.564 , Q1
Comparative Study of Various Normal Mode Analysis Techniques Based on Partial Hessians
Journal of Computational Chemistry , 31 (5) , 994-1007 , 2010 , Impact Factor: 3.835 , Q1
Intramolecular π–π Stacking Interactions in 2-Substituted N,N-Dibenzylaziridinium Ions and Their Regioselectivity in Nucleophilic Ring Opening Reactions
The Journal of Organic Chemistry , 75 (3) , 885-896 , 2010 , Impact Factor: 4.564 , Q1
2009
Nucleophile-Dependent Regioselective Ring Opening of 2-substituted N,N-dibenzylaziridinium Ions: Bromide versus Hydride
Chemical Communications , (18) , 2508–2510 , 2009
Deamidation of Asparagine Residues: Direct Hydrolysis versus Succinimide-Mediated Deamidation Mechanisms
The Journal of Physical Chemistry A , 113 ((6)) , 1111-1120 , 2009
2008
Computational Study on Nonenzymatic Peptide Bond Cleavage at Asparagine and Aspartic Acid
The Journal of Physical Chemistry A , 112 ((37)) , 8752-8761 , 2008
2007
Origin of Diastereoselectivity in the Synthesis of Chiral Bicyclic Lactams: π-Facial Selective Attack of Singlet Oxygen Induced by Hindered Internal Rotation
The Journal of Physical Chemistry A , 111 ((26)) , 5855-5863 , 2007
2006
Reaction Mechanism of Deamidation of Asparaginyl Residues in Peptides: Effect of Solvent Molecules
The Journal of Physical Chemistry A , 110 ((27)) , 8354-8365 , 2006
2005
Computational Study of Alkyllithium/Pyridine Derivative Systems as Initiators for the Living Polymerization of Methyl Methacrylates
Journal of Polymer Science: Part A: Polymer Chemistry , 43 ((2)) , 455-467 , 2005


















































