Carmela Bonaccorso
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View article: Excited‐State Proton Transfer in Push‐Pull N‐Methyl Pyridium Reversible Super‐Photoacids Ruled by Intramolecular Hydrogen‐Bond‐Like Interactions
Excited‐State Proton Transfer in Push‐Pull N‐Methyl Pyridium Reversible Super‐Photoacids Ruled by Intramolecular Hydrogen‐Bond‐Like Interactions Open
Three push‐pull N‐methyl pyridium phenols have been thoroughly investigated for their photoacid behavior through stationary and time‐resolved spectroscopic techniques. Fluorimetric titrations revealed a clear excited‐state proton transfer …
View article: Influence of Extraction Method on the Bioactivity of Pistachio Extracts: Metabolic and Gene Expression Changes in Colorectal Cancer Cells
Influence of Extraction Method on the Bioactivity of Pistachio Extracts: Metabolic and Gene Expression Changes in Colorectal Cancer Cells Open
Sustainable extraction methods represent a key strategy in green chemistry and nutraceutical development, aiming to replace conventional solvent-based techniques while maintaining extract quality and safety. This study compared pistachio (…
View article: Covalently Functionalized Halloysite-Calixarene Nanotubes for Injectable Hydrogels: A Multicavity Platform for Hydrophobic Drug Delivery
Covalently Functionalized Halloysite-Calixarene Nanotubes for Injectable Hydrogels: A Multicavity Platform for Hydrophobic Drug Delivery Open
Background: Poor water solubility is a major limitation for the therapeutic use of many anticancer drugs. In this study, we report the design and development of two halloysite-based hybrid nanomaterials for the encapsulation and delivery o…
View article: From SARS to MERS and SARS-CoV-2: Comparative Spike Protein Remodeling and Ligand-Binding Hot-Spots Revealed by Multiscale Simulations
From SARS to MERS and SARS-CoV-2: Comparative Spike Protein Remodeling and Ligand-Binding Hot-Spots Revealed by Multiscale Simulations Open
The COVID-19 pandemic has prompted the scientific community to develop new weapons against the SARS-CoV-2 spike protein. The study of its mutations is important to understand how it interacts with human receptors and how to prevent a futur…
View article: CCDC 2281317: Experimental Crystal Structure Determination
CCDC 2281317: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A further pocket or conformational plasticity by mapping COX-1 catalytic site through modified-mofezolac structure-inhibitory activity relationships and their antiplatelet behavior
A further pocket or conformational plasticity by mapping COX-1 catalytic site through modified-mofezolac structure-inhibitory activity relationships and their antiplatelet behavior Open
View article: Evaluation of the Effects of Heteroaryl Ethylene Molecules in Combination with Antibiotics: A Preliminary Study on Control Strains
Evaluation of the Effects of Heteroaryl Ethylene Molecules in Combination with Antibiotics: A Preliminary Study on Control Strains Open
The discovery of compounds with antibacterial activity is crucial in the ongoing battle against antibiotic resistance. We developed two QSAR models to design six novel heteroaryl drug candidates and assessed their antibacterial properties …
View article: Evaluation of Synergistic Effect of Heteroaryl-Ethylene Molecules in Combination with Antibiotics: A Preliminary Study on Control Strains
Evaluation of Synergistic Effect of Heteroaryl-Ethylene Molecules in Combination with Antibiotics: A Preliminary Study on Control Strains Open
: Introduction: Discovering compounds with antibacterial activity is crucial in the current fight against antibiotic-resistance. Material and Methods: We generate two QSAR model to design six new heteroaryl drug candidates; we assessed the…
View article: Different In Silico Approaches Using Heterocyclic Derivatives against the Binding between Different Lineages of SARS-CoV-2 and ACE2
Different In Silico Approaches Using Heterocyclic Derivatives against the Binding between Different Lineages of SARS-CoV-2 and ACE2 Open
Over the last few years, the study of the SARS-CoV-2 spike protein and its mutations has become essential in understanding how it interacts with human host receptors. Since the crystallized structure of the spike protein bound to the angio…
View article: Uptake Routes and Biodistribution of Polystyrene Nanoplastics on Zebrafish Larvae and Toxic Effects on Development
Uptake Routes and Biodistribution of Polystyrene Nanoplastics on Zebrafish Larvae and Toxic Effects on Development Open
Polystyrene (PS) is the most widely used plastic polymer. It is mainly used to produce disposable products. Due to its resistance to degradation, PS can remain in the environment for a long time. Its mechanical, physical and biological act…
View article: Sodium β-Diketonate Glyme Adducts as Precursors for Fluoride Phases: Synthesis, Characterization and Functional Validation
Sodium β-Diketonate Glyme Adducts as Precursors for Fluoride Phases: Synthesis, Characterization and Functional Validation Open
Very few sodium complexes are available as precursors for the syntheses of sodium-based nanostructured materials. Herein, the diglyme, triglyme, and tetraglyme (CH3O(CH2CH2O)nCH3, n = 2–4) adducts of sodium hexafluoroacetylacetonate were s…
View article: Amphiphilicity-Controlled Localization of Red Emitting Bicationic Fluorophores in Tumor Cells Acting as Bio-Probes and Anticancer Drugs
Amphiphilicity-Controlled Localization of Red Emitting Bicationic Fluorophores in Tumor Cells Acting as Bio-Probes and Anticancer Drugs Open
Small organic molecules arouse lively interest for their plethora of possible biological applications, such as anticancer therapy, for their ability to interact with nucleic acids, or bioimaging, thanks to their fluorescence emission. Here…
View article: Heteroaryl-Ethylenes as New Effective Agents for High Priority Gram-Positive and Gram-Negative Bacterial Clinical Isolates
Heteroaryl-Ethylenes as New Effective Agents for High Priority Gram-Positive and Gram-Negative Bacterial Clinical Isolates Open
The World Health Organization has identified antimicrobial resistance as a public health emergency and developed a global priority pathogens list of antibiotic-resistant bacteria that can be summarized in the acronym ESKAPE (Enterococcus f…
View article: Heteroaryl-Ethylenes as New Effective Agents for High Priority Gram-Positive and Gram-Negative Bacterial Clinical Isolates
Heteroaryl-Ethylenes as New Effective Agents for High Priority Gram-Positive and Gram-Negative Bacterial Clinical Isolates Open
The World Health Organization has identified antimicrobial resistance as a public health emergency and developed a global priority pathogens list of antibiotic-resistant bacteria that can be summarized in the acronym ESKAPE (Enterococcus f…
View article: Heteroaryl-Ethylenes as New Lead Compounds in the Fight against High Priority Bacterial Strains
Heteroaryl-Ethylenes as New Lead Compounds in the Fight against High Priority Bacterial Strains Open
The widespread use of antibiotics has led to a gradual increase in drug-resistant bacterial infections, which severely weakens the clinical efficacy of antibacterial therapies. In recent decades, stilbenes aroused great interest because of…
View article: Heteroaryl-Ethylenes as New Lead Compounds in the Fight against High Priority Bacterial Strains
Heteroaryl-Ethylenes as New Lead Compounds in the Fight against High Priority Bacterial Strains Open
The widespread use of antibiotics has led to a gradual increase in drug-resistant bacterial infections, which severely weakens the clinical efficacy of antibacterial therapies. In recent decades, stilbenes aroused great interest because of…
View article: Probing the structural features and the micro-heterogeneity of various deep eutectic solvents and their water dilutions by the photophysical behaviour of two fluorophores
Probing the structural features and the micro-heterogeneity of various deep eutectic solvents and their water dilutions by the photophysical behaviour of two fluorophores Open
View article: Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores
Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores Open
The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the…
View article: Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores
Probing the Structural Features and the Micro-heterogeneity of Various Deep Eutectic Solvents and their Water Dilutions by the Photophysical Behaviour of Two Fluorophores Open
The structural features of a series of diverse Deep Eutectic Solvents (DESs) have been investigated and characterized by means of two fluorescent probes. The spectral and photophysical properties of the latter are strictly dependent on the…
View article: CCDC 1957323: Experimental Crystal Structure Determination
CCDC 1957323: Experimental Crystal Structure Determination Open
View article: CCDC 1957324: Experimental Crystal Structure Determination
CCDC 1957324: Experimental Crystal Structure Determination Open
View article: Biological Applications of Thiocarbohydrazones and Their Metal Complexes: A Perspective Review
Biological Applications of Thiocarbohydrazones and Their Metal Complexes: A Perspective Review Open
Although organic compounds account for more than 99% of currently approved clinical drugs, the established clinical use of cisplatin in cancer or auranofin in rheumatoid arthritis have paved the way to several research initiatives to ident…
View article: Erratum to: Biomimetic protein-harpooning surfaces - CORRIGENDUM
Erratum to: Biomimetic protein-harpooning surfaces - CORRIGENDUM Open
View article: Gas principal properties as new compact descriptors for data-driven gas solubility modelling
Gas principal properties as new compact descriptors for data-driven gas solubility modelling Open
Principal properties (PPs), new compact descriptors for 48 gases were derived, their physico-chemical significance discussed, and applications to predict gas solubility in organic solvents by means of data-driven soft models reported.
View article: Synthesis and Experimental Validation of New Designed Heterocyclic Compounds with Antiproliferative Activity versus Breast Cancer Cell Lines MCF-7 and MDA-MB-231
Synthesis and Experimental Validation of New Designed Heterocyclic Compounds with Antiproliferative Activity versus Breast Cancer Cell Lines MCF-7 and MDA-MB-231 Open
Recent drug discovery efforts are highly focused towards identification, design, and synthesis of small molecules as anticancer agents. With this aim, we recently designed and synthesized novel compounds with high efficacy and specificity …
View article: CCDC 1506215: Experimental Crystal Structure Determination
CCDC 1506215: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497345: Experimental Crystal Structure Determination
CCDC 1497345: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1496970: Experimental Crystal Structure Determination
CCDC 1496970: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1491825: Experimental Crystal Structure Determination
CCDC 1491825: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1497010: Experimental Crystal Structure Determination
CCDC 1497010: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …