Emilia Sicilia (E Sicilia)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 64

Top Topics

Density Functional Theory

Crystal Structure

Top Venues

Inorganic chemistry

Dalton transactions (Cambridge, England : 2003)

Journal of computational chemistry

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Rossella Caligiuri, Lara Massai, Andrea Geri, Loredana Ricciardi, Nicolas Godbert, Giorgio Facchetti, Maria Giovanna Lupo, Ilaria Rossi, Giulia Coffetti, Martina Moraschi, Emilia Sicilia, Vincenzo Vigna, Luigi Messori, Nicola Ferri, Gloria Mazzone, Iolinda Aiello, Isabella Rimoldi
Cytotoxic Pt(II) complexes containing alizarin: a selective carrier for DNA metalation. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Vincenzo Vigna, Tânia F G G Cova, Sandra C C Nunes, Alberto Canelas Pais, Emilia Sicilia
Machine Learning-Based Prediction of Reduction Potentials for Pt IV Complexes. Journal of chemical information and modeling (2024)
Vincenzo Vigna, Tânia F G G Cova, Sandra C C Nunes, Alberto Canelas Pais, Emilia Sicilia
Machine Learning-Based Prediction of Reduction Potentials for Pt IV Complexes. Journal of chemical information and modeling 64 (9) (2024)
Huayun Shi, Christian Ward-Deitrich, Fortuna Ponte, Emilia Sicilia, Heidi Goenaga Infante, Peter J Sadler
Photosubstitution and photoreduction of a diazido platinum(IV) anticancer complex. Dalton transactions (Cambridge, England : 2003) (2024)
Huayun Shi, Oliver W L Carter, Fortuna Ponte, Cinzia Imberti, Miguel A Gomez-Gonzalez, Fernando Cacho-Nerin, Paul D Quinn, Julia E Parker, Emilia Sicilia, Huaiyi Huang, Peter J Sadler
A Photodynamic and Photochemotherapeutic Platinum-Iridium Charge-Transfer Conjugate for Anticancer Therapy. Angewandte Chemie (International ed. in English) 63 (23) (2024)
Huayun Shi, Christian Ward-Deitrich, Fortuna Ponte, Emilia Sicilia, Heidi Goenaga Infante, Peter J Sadler
Photosubstitution and photoreduction of a diazido platinum(IV) anticancer complex. Dalton transactions (Cambridge, England : 2003) 53 (31) (2024)
Daniele Belletto, Fortuna Ponte, Gloria Mazzone, Emilia Sicilia
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy. Dalton transactions (Cambridge, England : 2003) (2024)
Huayun Shi, Fortuna Ponte, Jaspreet S Grewal, Guy J Clarkson, Cinzia Imberti, Ian J Hands-Portman, Robert Dallmann, Emilia Sicilia, Peter J Sadler
Tuning the photoactivated anticancer activity of Pt(iv) compounds via distant ferrocene conjugation. Chemical science 15 (11) (2024)
Rossella Caligiuri, Lara Massai, Andrea Geri, Loredana Ricciardi, Nicolas Godbert, Giorgio Facchetti, Maria Giovanna Lupo, Ilaria Rossi, Giulia Coffetti, Martina Moraschi, Emilia Sicilia, Vincenzo Vigna, Luigi Messori, Nicola Ferri, Gloria Mazzone, Iolinda Aiello, Isabella Rimoldi
Cytotoxic Pt(II) complexes containing alizarin: a selective carrier for DNA metalation. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Pierraffaele Barretta, Stefano Scoditti, Daniele Belletto, Fortuna Ponte, Vincenzo Vigna, Gloria Mazzone, Emilia Sicilia
Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties. Journal of computational chemistry 45 (23) (2024)
Huayun Shi, Oliver W L Carter, Fortuna Ponte, Cinzia Imberti, Miguel A Gomez-Gonzalez, Fernando Cacho-Nerin, Paul D Quinn, Julia E Parker, Emilia Sicilia, Huaiyi Huang, Peter J Sadler
A Photodynamic and Photochemotherapeutic Platinum-Iridium Charge-Transfer Conjugate for Anticancer Therapy. Angewandte Chemie (International ed. in English) 63 (23) (2024)
Pierraffaele Barretta, Stefano Scoditti, Daniele Belletto, Fortuna Ponte, Vincenzo Vigna, Gloria Mazzone, Emilia Sicilia
Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties. Journal of computational chemistry (2024)
Huayun Shi, Oliver W L Carter, Fortuna Ponte, Cinzia Imberti, Miguel A Gomez-Gonzalez, Fernando Cacho-Nerin, Paul D Quinn, Julia E Parker, Emilia Sicilia, Huaiyi Huang, Peter J Sadler
A Photodynamic and Photochemotherapeutic Platinum-Iridium Charge-Transfer Conjugate for Anticancer Therapy. Angewandte Chemie (International ed. in English) (2024)
Huayun Shi, Fortuna Ponte, Jaspreet S Grewal, Guy J Clarkson, Cinzia Imberti, Ian J Hands-Portman, Robert Dallmann, Emilia Sicilia, Peter J Sadler
Tuning the photoactivated anticancer activity of Pt(iv) compounds via distant ferrocene conjugation. Chemical science 15 (11) (2024)
Daniele Belletto, Vincenzo Vigna, Pierraffaele Barretta, Fortuna Ponte, Gloria Mazzone, Stefano Scoditti, Emilia Sicilia
Computational assessment of the use of graphene-based nanosheets as Pt II chemotherapeutics delivery systems. Journal of computational chemistry (2024)
Daniele Belletto, Vincenzo Vigna, Pierraffaele Barretta, Fortuna Ponte, Gloria Mazzone, Stefano Scoditti, Emilia Sicilia
Computational assessment of the use of graphene-based nanosheets as Pt II chemotherapeutics delivery systems. Journal of computational chemistry 45 (24) (2024)
Rossella Caligiuri, Lara Massai, Andrea Geri, Loredana Ricciardi, Nicolas Godbert, Giorgio Facchetti, Maria Giovanna Lupo, Ilaria Rossi, Giulia Coffetti, Martina Moraschi, Emilia Sicilia, Vincenzo Vigna, Luigi Messori, Nicola Ferri, Gloria Mazzone, Iolinda Aiello, Isabella Rimoldi
Cytotoxic Pt(II) complexes containing alizarin: a selective carrier for DNA metalation. Dalton transactions (Cambridge, England : 2003) 53 (6) (2024)
Rossella Caligiuri, Lara Massai, Andrea Geri, Loredana Ricciardi, Nicolas Godbert, Giorgio Facchetti, Maria Giovanna Lupo, Ilaria Rossi, Giulia Coffetti, Martina Moraschi, Emilia Sicilia, Vincenzo Vigna, Luigi Messori, Nicola Ferri, Gloria Mazzone, Iolinda Aiello, Isabella Rimoldi
Cytotoxic Pt(II) complexes containing alizarin: a selective carrier for DNA metalation. Dalton transactions (Cambridge, England : 2003) (2024)
Daniele Belletto, Fortuna Ponte, Gloria Mazzone, Emilia Sicilia
A detailed density functional theory exploration of the photodissociation mechanism of ruthenium complexes for photoactivated chemotherapy. Dalton transactions (Cambridge, England : 2003) 53 (19) (2024)
Juan Sánchez-Camacho, Sonia Infante-Tadeo, Ana C Carrasco, Stefano Scoditti, Álvaro Martínez, Fabienne Barroso-Bujans, Emilia Sicilia, Ana M Pizarro, Luca Salassa
Flavin-Conjugated Pt(IV) Anticancer Agents. Inorganic chemistry (2023)
Daniele Belletto, Fortuna Ponte, Nico Sanna, Stefano Scoditti, Emilia Sicilia
G-quadruplex DNA selective targeting for anticancer therapy: a computational study of a novel Pt II monofunctional complex activated by adaptive binding. Dalton transactions (Cambridge, England : 2003) (2023)
Alessandra G Ritacca, Enrico Falcone, Iman Doumi, Bertrand Vileno, Peter Faller, Emilia Sicilia
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes. Inorganic chemistry 62 (9) (2023)
Alessandra G Ritacca, Enrico Falcone, Iman Doumi, Bertrand Vileno, Peter Faller, Emilia Sicilia
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes. Inorganic chemistry 62 (9) (2023)
Alessandra G Ritacca, Enrico Falcone, Iman Doumi, Bertrand Vileno, Peter Faller, Emilia Sicilia
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes. Inorganic chemistry 62 (9) (2023)
Alessandra G Ritacca, Enrico Falcone, Iman Doumi, Bertrand Vileno, Peter Faller, Emilia Sicilia
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes. Inorganic chemistry (2023)
Alessandra G Ritacca, Enrico Falcone, Iman Doumi, Bertrand Vileno, Peter Faller, Emilia Sicilia
Dual Role of Glutathione as a Reducing Agent and Cu-Ligand Governs the ROS Production by Anticancer Cu-Thiosemicarbazone Complexes. Inorganic chemistry 62 (9) (2023)
Eslam Dabbish, Stefano Scoditti, Mohammed N I Shehata, Ida Ritacco, Mahmoud A A Ibrahim, Tamer Shoeib, Emilia Sicilia
Insights on cyclophosphamide metabolism and anticancer mechanism of action: A computational study. Journal of computational chemistry (2023)
Xin Yang, Limin Ma, Hongwei Shao, Zikai Zhou, Xia Ling, Mengyu Yao, Guowen Luo, Stefano Scoditti, Emilia Sicilia, Gloria Mazzone, Meng Gao, Ben-Zhong Tang
Riboflavin-Promoted In Situ Photoactivation of Dihydroalkaloid Prodrugs for Cancer Therapy. Journal of medicinal chemistry 65 (23) (2022)
Enrico Falcone, Alessandra G Ritacca, Sonja Hager, Hemma Schueffl, Bertrand Vileno, Youssef El Khoury, Petra Hellwig, Christian R Kowol, Petra Heffeter, Emilia Sicilia, Peter Faller
Copper-Catalyzed Glutathione Oxidation is Accelerated by the Anticancer Thiosemicarbazone Dp44mT and Further Boosted at Lower pH. Journal of the American Chemical Society 144 (32) (2022)
Vincenzo Vigna, Stefano Scoditti, Angelo Spinello, Gloria Mazzone, Emilia Sicilia
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)-Salphen Complex. International journal of molecular sciences 23 (24) (2022)
Stefano Scoditti, Eslam Dabbish, German E Pieslinger, Elixabete Rezabal, Xabier Lopez, Emilia Sicilia, Luca Salassa
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism. Physical chemistry chemical physics : PCCP 24 (9) (2022)
Stefano Scoditti, Gloria Mazzone, Nico Sanna, Emilia Sicilia
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate. Inorganic chemistry 61 (32) (2022)
Fortuna Ponte, Davide Maria Scopelliti, Nico Sanna, Emilia Sicilia, Gloria Mazzone
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly. Molecules (Basel, Switzerland) 27 (17) (2022)
Vincenzo Vigna, Stefano Scoditti, Angelo Spinello, Gloria Mazzone, Emilia Sicilia
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)-Salphen Complex. International journal of molecular sciences 23 (24) (2022)
Gloria Mazzone, Stefano Scoditti, Rossella Caligiuri, Loredana Ricciardi, Emilia Sicilia, Maria Giovanna Lupo, Isabella Rimoldi, Nicolas Godbert, Massimo La Deda, Andreea Ionescu, Mauro Ghedini, Iolinda Aiello, Giorgio Facchetti
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation. Inorganic chemistry 61 (18) (2022)
Mohamed Korany, Ida Ritacco, Eslam Dabbish, Emilia Sicilia, Tamer Shoeib
Analysis of the Fragmentation Pathways for the Collision-Induced Dissociation of Protonated Cyclophosphamide: A Mass Spectrometry and Quantum Mechanical Study. Journal of chemical information and modeling 62 (18) (2022)
Sherif Ashraf Fahmy, Fortuna Ponte, Giulia Grande, Iten M Fawzy, Asmaa A Mandour, Emilia Sicilia, Hassan Mohamed El-Said Azzazy
Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin. Pharmaceuticals (Basel, Switzerland) 15 (2) (2022)
Vincenzo Vigna, Stefano Scoditti, Angelo Spinello, Gloria Mazzone, Emilia Sicilia
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)-Salphen Complex. International journal of molecular sciences 23 (24) (2022)
Pierraffaele Barretta, Fortuna Ponte, Stefano Scoditti, Vincenzo Vigna, Gloria Mazzone, Emilia Sicilia
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation. The journal of physical chemistry. A 126 (40) (2022)
Stefano Scoditti, Francesco Chiodo, Gloria Mazzone, Sébastien Richeter, Emilia Sicilia
Porphyrins and Metalloporphyrins Combined with N-Heterocyclic Carbene (NHC) Gold(I) Complexes for Photodynamic Therapy Application: What Is the Weight of the Heavy Atom Effect? Molecules (Basel, Switzerland) 27 (13) (2022)
Rossella Caligiuri, Giuseppe Di Maio, Nicolas Godbert, Francesca Scarpelli, Angela Candreva, Isabella Rimoldi, Giorgio Facchetti, Maria Giovanna Lupo, Emilia Sicilia, Gloria Mazzone, Fortuna Ponte, Isabella Romeo, Massimo La Deda, Alessandra Crispini, Renata De Rose, Iolinda Aiello
Curcumin-based ionic Pt(II) complexes: antioxidant and antimicrobial activity. Dalton transactions (Cambridge, England : 2003) 51 (43) (2022)
Marta Erminia Alberto, Gloria Mazzone, Claudia Regina, Nino Russo, Emilia Sicilia
Theoretical exploration of the photophysical properties of two-component RuII-porphyrin dyes as promising assemblies for a combined antitumor effect. Dalton transactions (Cambridge, England : 2003) 49 (36) (2021)
Cataldo Simari, Mario Prejanò, Ernestino Lufrano, Emilia Sicilia, Isabella Nicotera
Exploring the Structure-Performance Relationship of Sulfonated Polysulfone Proton Exchange Membrane by a Combined Computational and Experimental Approach. Polymers 13 (6) (2021)
Alessandra G Ritacca, Ida Ritacco, Eslam Dabbish, Nino Russo, Gloria Mazzone, Emilia Sicilia
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations. Journal of chemical information and modeling 61 (7) (2021)
Stefano Scoditti, Eslam Dabbish, Nino Russo, Gloria Mazzone, Emilia Sicilia
Anticancer Activity, DNA Binding, and Photodynamic Properties of a N∧C∧N-Coordinated Pt(II) Complex. Inorganic chemistry 60 (14) (2021)
Stefano Scoditti, Gloria Mazzone, Emilia Sicilia
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (62) (2021)
Stefano Scoditti, Vincenzo Vigna, Eslam Dabbish, Emilia Sicilia
Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study. Journal of computational chemistry 42 (9) (2021)
Sherif Ashraf Fahmy, Fortuna Ponte, Iten M Fawzy, Emilia Sicilia, Hassan Mohamed El-Said Azzazy
Betaine host-guest complexation with a calixarene receptor: enhanced in vitro anticancer effect. RSC advances 11 (40) (2021)
Wen-Ying Zhang, Samya Banerjee, George M Hughes, Hannah E Bridgewater, Ji-Inn Song, Ben G Breeze, Guy J Clarkson, James P C Coverdale, Carlos Sanchez-Cano, Fortuna Ponte, Emilia Sicilia, Peter J Sadler
Ligand-centred redox activation of inert organoiridium anticancer catalysts. Chemical science 11 (21) (2020)
Isabella Romeo, Fabrizio Olivito, Antonio Tursi, Vincenzo Algieri, Amerigo Beneduci, Giuseppe Chidichimo, Loredana Maiuolo, Emilia Sicilia, Antonio De Nino
Totally green cellulose conversion into bio-oil and cellulose citrate using molten citric acid in an open system: synthesis, characterization and computational investigation of reaction mechanisms. RSC advances 10 (57) (2020)
Alessandra G Ritacca, Luana Malacaria, Vincenzo Algieri, Antonio De Nino, Nino Russo, Emilia Furia, Loredana Maiuolo, Emilia Sicilia
Sequestering Ability of a Synthetic Chelating Agent towards Copper(II) and Iron(III): A Detailed Theoretical and Experimental Analysis. Chemistry, an Asian journal 15 (20) (2020)
Diego Cesario, Mariagrazia Fortino, Tiziana Marino, Francesca Nunzi, Nino Russo, Emilia Sicilia
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl-based mimetics. Journal of computational chemistry 40 (8) (2020)
Fortuna Ponte, Marta Erminia Alberto, Bruna C De Simone, Nino Russo, Emilia Sicilia
Photophysical Exploration of Dual-Approach PtII-BODIPY Conjugates: Theoretical Insights. Inorganic chemistry 58 (15) (2019)
Fortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, Michele Parrinello
A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug. Journal of computational chemistry 41 (4) (2019)
Eslam Dabbish, Fortuna Ponte, Nino Russo, Emilia Sicilia
Antitumor Platinium(IV) Prodrugs: A Systematic Computational Exploration of Their Reduction Mechanism by l-Ascorbic Acid. Inorganic chemistry 58 (6) (2019)
Awatef Hattab, Zoubeida Dhaouadi, Alhadji Malloum, Jean Jules Fifen, Souad Lahmar, Nino Russo, Emilia Sicilia
Structures, binding energies, temperature effects, infrared spectroscopy of [Mg(NH3 )n = 1-10 ]+ clusters from DFT and MP2 investigations. Journal of computational chemistry 40 (18) (2019)
Valerio Rizzi, Michele Parrinello, Emilia Sicilia, Michele Parrinello
Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis. Journal of chemical theory and computation 15 (8) (2019)
Valerio Rizzi, Daniela Polino, Emilia Sicilia, Nino Russo, Michele Parrinello
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study. Angewandte Chemie (International ed. in English) 58 (12) (2019)
Eslam Dabbish, Nino Russo, Emilia Sicilia
Rationalization of the Superior Anticancer Activity of Phenanthriplatin: An In-Depth Computational Exploration. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (1) (2019)
Bruna C De Simone, Gloria Mazzone, Nino Russo, Emilia Sicilia, Marirosa Toscano
Computational Investigation of the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc(II) Complexes. The journal of physical chemistry. A 122 (10) (2018)
Fortuna Ponte, Nino Russo, Emilia Sicilia
Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIV Prodrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (38) (2018)
Chiara Ricca, Frédéric Labat, Claudia Zavala, Nino Russo, Carlo Adamo, Gabriel Merino, Emilia Sicilia
B,N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations. Journal of computational chemistry 39 (11) (2017)
Diego Cesario, Emilia Furia, Gloria Mazzone, Amerigo Beneduci, Giuseppina De Luca, Emilia Sicilia
Complexation of Al3+ and Ni2+ by l-Ascorbic Acid: An Experimental and Theoretical Investigation. The journal of physical chemistry. A 121 (51) (2017)
Ida Ritacco, Merriam Al Assy, Mohamed K Abd El-Rahman, Sherif Ashraf Fahmy, Nino Russo, Tamer Shoeib, Emilia Sicilia
Hydrolysis in Acidic Environment and Degradation of Satraplatin: A Joint Experimental and Theoretical Investigation. Inorganic chemistry 56 (10) (2017)