464 results match your criteria: "Theoretical and Physical Chemistry Institute[Affiliation]"
Pharmaceuticals (Basel)
August 2025
Institute of Nanoscience and Nanotechnology, National Center for Scientific Research ''Demokritos", 15310 Aghia Paraskevi, Greece.
: Copper levels are significantly elevated in both the sera and tumor tissues of various cancers, including prostate cancer. It has therefore been suggested that targeting the elevated copper levels with copper chelators could lead to selective cancer treatment. Thus, several classes of low molecular weight copper-coordinating lipophilic compounds, as well as the newly developed copper complexes of appropriately functionalized polymers, are being investigated as promising novel anticancer therapeutics.
View Article and Find Full Text PDFGels
July 2025
Division of Genetics & Biotechnology, Department of Biology, National and Kapodistrian University of Athens, Zografou Campus, 15784 Athens, Greece.
This study explored the potential of chitosan (CH)/bacterial cellulose (BC) complexes (0.5% /) as novel emulsifiers to stabilize oil-in-water (o/w) Pickering emulsions (20% / sunflower oil), with a focus on their gel-like behavior. Emulsions were prepared using CH combined with BNC derived via HSO (BNC1) or HSO-HCl (BNC2) hydrolysis.
View Article and Find Full Text PDFBiomacromolecules
September 2025
Petru Poni Institute of Macromolecular Chemistry, 41A Grigore Ghica Voda Alley, Iasi 700487, Romania.
Polymer/enzyme nanoassemblies are a class of nanomaterials of increasing interest for the medical, industrial, or environmental fields. This study comprises a thorough scrutiny of the formation of nanoassemblies between laccase and a polysaccharide, chitosan, employing various experimental and theoretical methods. The binding mechanism was investigated through fluorescence quenching and molecular dynamics simulations, which identified key amino acids involved in the interaction.
View Article and Find Full Text PDFInt J Biol Macromol
August 2025
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave., 11635, Athens, Greece. Electronic address:
This study explores the potential valorization of brewer's spent grain (BSG) by Schizophyllum commune as an alternative low-cost and sustainable feedstock to produce fungal biomass rich in bioactive compounds and exopolysaccharides (EPS). Submerged cultures were performed in a 6 l bioreactor achieving maximum values of 9.8 g/l biomass and 7.
View Article and Find Full Text PDFACS Omega
August 2025
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos, Constantinou Avenue, GR-11635 Athens, Greece.
Studying protein-polymer complexes at the molecular level is crucial for understanding how polymers interact with proteins and affect their stability and function. The complexation process of lysozyme (LYZ) and poly-(acrylic acid) (PAA) is highly dependent on pH and temperature, influencing both the stability and binding dynamics of the interaction network. Using atomistic molecular dynamics simulations, we explored how these environmental factors shape the binding strength, molecular rearrangements, and conformational adaptability of the [LYZ-PAA] complexes.
View Article and Find Full Text PDFInt J Biol Macromol
September 2025
Petru Poni Institute of Macromolecular Chemistry, Iasi, Romania; Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, Athens, Greece. Electronic address:
Hybrid nanostructures from synthetic and biological macromolecules emerged as a significant research topic as they can find applications in biomedicine, catalysis, and environmental remediation. Herein, innovative nanostructures in the form of electrostatic complexes were prepared by the interaction of laccase with a hybrid graft copolymer, CHI-g-PNIPAM, obtained by grafting poly(N-isopropylacrylamide) containing carboxylate end-groups onto chitosan chains. The size, charge, morphology, and stability of the obtained nanostructures were investigated through light scattering measurements and scanning transmission electron microscopy, demonstrating the effect of the ratio between the components on the properties of the obtained co-assembled nanostructures.
View Article and Find Full Text PDFBiomacromolecules
September 2025
Division of Genetics & Biotechnology, Department of Biology, National and Kapodistrian University of Athens, Zografou Campus, Athens 15784, Greece.
This study explored the structural modification of bacterial cellulose (BC) through enzymatic hydrolysis using varying cellulase activities and substrate concentrations. Optimal hydrolysis conditions (50 U/g of BC; 20 g/L of BC) were established to balance recovery and homogeneity (yielding BNC1). Hydrolysis was further combined with nonthermal plasma by suspending BC into plasma-activated water (PAW) prior to hydrolysis (BNC2).
View Article and Find Full Text PDFJ Biomol Struct Dyn
July 2025
Laboratory of Organic Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece.
Myasthenia Gravis, a chronic autoimmune disease, is primarily treated with acetylcholinesterase inhibitors. However, these drugs are not specific, and their mechanism of action against the disease has not been elucidated. They have a propensity to act on different targets, and their therapeutic action is symptomatic.
View Article and Find Full Text PDFJ Phys Chem B
July 2025
Department of Polymer Materials and Engineering, College of Material Science and Chemical Engineering, Harbin University of Science and Technology, Harbin 150040, China.
At the air/water interface, amphiphilic block copolymers usually form surface micelles composed of hydrophobic block cores and hydrophilic block coronas. However, double hydrophilic block copolymers (DHBCs) do not contain hydrophobic blocks, and the resulting surface micelle structures have yet to be explored. The Langmuir film balance technique was used to explore the effects of subphase pH and temperature on the interfacial aggregation behavior of two DHBCs of poly[2-(dimethylamino)ethyl methacrylate]--poly[oligo(ethylene glycol)methyl ether methacrylate] partially quaternized with 1-iodohexane (Q) and 1-iodododecane (Q) (P(DMAEMA--QDMAEMA)--POEGMA).
View Article and Find Full Text PDFMolecules
July 2025
Section of Pharmaceutical Technology, Department of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece.
Quercetin (Que) is widely recognized for its antioxidant and neuroprotective properties; however, its clinical potential remains limited due to poor solubility and low oral bioavailability. Nasal powders have emerged as a promising strategy to overcome these limitations, taking advantage of nose-to-brain delivery, offering a direct, non-invasive route to the central nervous system while bypassing first-pass metabolism. This study aims to extend previous work by systematically investigating the impact of different preparation methods (spray drying vs.
View Article and Find Full Text PDFMolecules
July 2025
Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, 15772 Athens, Greece.
Molybdenum lithium compounds and materials are being researched and applied in cutting-edge industries; however, their bonding has not been explored in a systematic way. The present study investigates the MoLi molecule, to shed light on its bonding. Specifically, the electronic structure and bonding of the ground and 40 low-lying states of the MoLi molecule are explored, employing multireference methodologies, i.
View Article and Find Full Text PDFPolymers (Basel)
July 2025
Department of Physics, Chalmers University of Technology, 41296 Gothenburg, Sweden.
This study investigates the mechanical properties of double hydrophilic block copolymers (DHBCs) based on poly[oligo(ethylene glycol) methacrylate] (POEGMA) and poly(vinyl benzyl trimethylammonium chloride) (PVBTMAC) blocks by employing small amplitude oscillatory shear (SAOS) rheological measurements. We report that the mechanical properties of DHBCs are governed by the interfacial glass transition temperature (), verifying the disordered state of these copolymers. An increase in zero shear viscosity can be observed by increasing the VBTMAC content, yielding a transition from liquid-like to gel-like and finally to an elastic-like response for the PVBTMAC homopolymer.
View Article and Find Full Text PDFChemistry
August 2025
Department of Chemistry, University of Crete, Voutes Heraklion, 70013, Greece.
An important direction in MOFs is the development of materials with well-defined and ordered heterogeneity toward novel functionalities and control of important properties at the atomic scale. A great approach is the designed synthesis of mixed-metal MOFs (M'MOFs) made of different building units based on distinct metal cations. However, their in-situ formation and co-assembly into an extended crystalline framework present great challenges due to the different kinetic and thermodynamic parameters.
View Article and Find Full Text PDFJ Phys Chem A
July 2025
Laboratory of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, Athens 157 84, Greece.
Porphyrins are detected in many biological systems and have significant roles in some important artificial systems, while the N-confused porphyrins present very interesting photophysical and chemical properties, which differ from those observed in porphyrins. In the present study, metal (M) complexes of tetraphenylporphyrin (TPP), N-confused TPP (NCTPP), and the ethenyl-pyrazine derivative of NCTPP (NCTPP-p), i.e.
View Article and Find Full Text PDFChem Commun (Camb)
July 2025
Laboratory of Bioinorganic Chemistry, Department of Chemistry, University of Crete, Heraklion, Crete, Greece.
Dye-sensitized photocatalytic systems (DSPs) for hydrogen (H) evolution have garnered significant attention due to their ability to harness solar energy for efficient fuel production. In this feature article review, we discuss our recent advancements in DSPs, focusing on TiO-based systems and self-assembled nanostructures for H evolution. We explore the role of porphyrins as photosensitizers and catalysts in H evolving DSPs, highlighting strategies to enhance light absorption and charge transfer efficiency.
View Article and Find Full Text PDFChemistry
July 2025
Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, 15771, Athens, Greece.
Fullerene-based donor-acceptor (D-A) dyads have been extensively studied for their unique electronic properties, with applications in photoinduced energy conversion devices. In these systems, dynamic quenching of the excited donor's emission occurs, via energy or electron transfer to the fullerene acceptor. However, there are no reports on fullerene dyads bearing chemiluminescent donor analogues.
View Article and Find Full Text PDFNanoscale Adv
July 2025
National Hellenic Research Foundation, Theoretical and Physical Chemistry Institute 48 Vassileos Constantinou Avenue 11635 Athens Greece
Single-walled carbon nanotubes (SWCNTs) have been widely employed as electrocatalysts due to their exceptional mechanical strength and electronic properties, despite lacking intrinsic catalytic centers. Current research efforts focus on enhancing their catalytic activity by modifying them with organometallic chelate complexes, to achieve controlled molecular-level structuring and improved performance in Proton Exchange Membrane Fuel Cells (PEMFCs). While the mechanistic understanding of their electrocatalytic behavior in relation to molecular structure remains in its early stages, it offers valuable insights for the development of efficient electrocatalysts.
View Article and Find Full Text PDFChempluschem
August 2025
Laboratory of Organic Chemistry, Department of Chemistry, University of Ioannina, Ioannina, 45110, Greece.
A series of new N,N'-diarylureas is reported as potential cannabinoid-1 (CB-1) receptor inhibitors. The synthesis of the new N,N'-diarylureas is achieved from the reaction of two substituted anilines with the aid of triphosgene. One aniline carries a pyrazol-1-yl or 1H-1,2,3-triazolyl or 2H-1,2,3-triazolyl propan-2-one group at position-3, while the other aniline is substituted by fluoro, bromo, methoxy, cyano, morpholino, or 4-methyl-2-nitro groups.
View Article and Find Full Text PDFPolymers (Basel)
May 2025
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave, 11635 Athens, Greece.
In this study, we explore the design of novel random poly(lauryl methacrylate-co-tert-butyl methacrylate-co-methacrylic acid), P(LMA-co-tBMA-co-MAA) copolymers via the RAFT copolymerization of LMA and tBMA followed by the selective hydrolysis of tBMA segments. For the molecular characterization of the novel copolymer, a series of physicochemical techniques were implemented, including size exclusion chromatography (SEC), proton nuclear magnetic resonance (H-NMR) and attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy. Our experimental results confirmed the successful synthesis of the targeted copolymers.
View Article and Find Full Text PDFPolymers (Basel)
May 2025
Section of Pharmaceutical Technology, Department of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimioupolis Zografou, 15771 Athens, Greece.
Hydrogels are three-dimensional polymeric systems, being able to accommodate different categories of bioactive agents and act as promising drug delivery systems in many different biomedical applications. Due to their extended 3D network, hydrogels exhibit many advantages, such as extensive loading capacity and controlled drug release profiles, combined with characteristics such as biocompatibility and biodegradability, due to their constructive polymeric biomaterials. Moreover, hydrogels are capable of being administered via different routes of administration, including systemic and topical ones, due to their tunable characteristics.
View Article and Find Full Text PDFLangmuir
June 2025
Department of Polymer Materials and Engineering, College of Material Science and Chemical Engineering, Harbin University of Science and Technology, Harbin 150040, China.
The effects of subphase salt conditions on the interfacial behavior of a triblock copolymer, poly(-butyl acrylate)-poly(-isopropylacrylamide)-poly(2-(dimethylamino)ethyl acrylate) (PnBA-PNIPAM-PDMAEA), were studied by the Langmuir film balance technique and atomic force microscopy. Under acidic conditions, at the low ionic strength of NaCl solution (0.15 mol/L), the monolayer isotherm of the copolymer appears at large mean molecular areas (mm) due to the destruction of the hydration of tertiary amine groups in the PDMAEA blocks.
View Article and Find Full Text PDFACS Omega
June 2025
Institute of Nanoscience and Nanotechnology, NCSR Demokritos, 15341 Athens, Greece.
Commercial melamine sponges were modified with a functional covalent organic framework (COF), and they were evaluated as adsorbents of divalent copper cations from aqueous solutions. A phosphazene unit successfully covered the surface of the melamine sponge, and the organic framework was subsequently formed through the nucleophilic substitution with 4,4' bipyridine. The covalent organic framework functionalized on the melamine sponge can detect and effectively adsorb copper compounds in aqueous solutions.
View Article and Find Full Text PDFJ Phys Chem C Nanomater Interfaces
May 2025
Faculty of Mathematics and Physics, University of Ljubljana, 1000 Ljubljana, Slovenia.
A remarkable stability of a supramolecular radical comprising an azafullerene (CN) radical sterically protected by a [10]cycloparaphenylene ([10]CPP) nanoring, CN⊂[10]CPP, has recently been observed by various experimental probes. In order to investigate the host-guest interaction in these supramolecular complexes, we carried out electron paramagnetic resonance (EPR) measurements, theoretically supported by density functional theory (DFT) calculations. The continuous wave (CW) EPR spectrum shows the presence of two active spin components: CN⊂[10]CPP monomers that can in certain cases polymerize into oligomeric radicals.
View Article and Find Full Text PDFInt J Biol Macromol
June 2025
Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vassileos Constantinou Ave., 11635 Athens, Greece; Division of Genetics & Biotechnology, Department of Biology, National and Kapodistrian University of Athens, Zografou Campus, 15784 Athens, Greece. Electronic ad
A novel rotating disk bioreactor was designed and manufactured to produce bacterial cellulose (BC) using Komagataeibacter rhaeticus. Optimal conditions-45 % disk submersion, mechanically etched disks with rotation speed of 20 rpm, spacing of 35 mm and 0.5 vvm air supply- achieved a yield of 1020 mg BC/disk with commercial glucose.
View Article and Find Full Text PDFJ Phys Chem B
May 2025
Department of Polymer Material and Engineering, College of Material Science and Chemical Engineering, Harbin University of Science and Technology, 4 Linyuan Road, Harbin 150040, P R China.
The detailed micelle/aggregate structures of double hydrophilic diblock copolymers (DHBCs) at the air/water interface are not well understood and need to be further explored. The Langmuir film balance technique and atomic force microscopy were used to study the effects of subphase pH and temperature on the interfacial aggregation behavior of one DHBC of poly[2-(dimethylamino)ethyl methacrylate]--poly[oligo(ethylene glycol) methyl ether methacrylate] (PDMAEMA--POEGMA) and the structures of its Langmuir-Blodgett (LB) films, respectively. At the air/water interface, the PDMAEMA--POEGMA copolymer forms a dense network structure of circular micelles with the hydrophobic carbon backbones of PDMAEMA and POEGMA blocks as the tiny cores and their hydrophilic side chains as the short shells, and each copolymer molecule forms two connected micelles/cores.
View Article and Find Full Text PDF