| 1. |
- Acet, Ömür, et al.
(author)
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Inhibition of bacterial adhesion by epigallocatechin gallate attached polymeric membranes
- 2023
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In: Colloids and Surfaces B: Biointerfaces. - : Elsevier BV. - 0927-7765 .- 1873-4367. ; 221
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Journal article (peer-reviewed)abstract
- Microbial adhesion and formation of biofilms cause a serious problem in several areas including but not limited to food spoilage, industrial corrosion and nosocomial infections. These microbial biofilms pose a serious threat to human health since microbial communities in the biofilm matrix are protected with exopolymeric substances and difficult to eradicate with antibiotics. Hence, the prevention of microbial adhesion followed by biofilm formation is one of the promising strategies to prevent these consequences. The attachment of antimicrobial agents, coatings of nanomaterials and synthesis of hybrid materials are widely used approach to develop surfaces having potential to hinder bacterial adhesion and biofilm formation. In this study, epigallocatechin gallate (EGCG) is attached on p(HEMA-co-GMA) membranes to prevent the bacterial colonization. The attachment of EGCG to membranes was proved by Fourier-transform infrared spectroscopy (FT-IR). The synthesized membrane showed porous structure (SEM), and desirable swelling degree, which are ideal when it comes to the application in biotechnology and biomedicine. Furthermore, EGCG attached membrane showed significant potential to prevent the microbial colonization on the surface. The obtained results suggest that EGCG attached polymer could be used as an alternative approach to prevent the microbial colonization on the biomedical surfaces, food processing equipment as well as development of microbial resistant food packaging systems.
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| 2. |
- Borro, Bruno C., et al.
(author)
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Microgels and hydrogels as delivery systems for antimicrobial peptides
- 2020
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In: Colloids and Surfaces B. - : ELSEVIER. - 0927-7765 .- 1873-4367. ; 187
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Journal article (peer-reviewed)abstract
- Due to rapid development of bacterial resistance against antibiotics, an emerging health crisis is underway, where `simple' infections may no longer be treatable. Antimicrobial peptides (AMPs) constitute a class of substances attracting interest in this context. So far, research on AMPs has primarily focused on the identification of potent and selective peptides, as well as on the action mode of such peptides. More recently, there has been an increasing awareness that the delivery of AMPs is challenging due to their size, net positive charge, amphiphilicity, and proteolytic susceptibility. Hence, successful development of AMP therapeutics will likely require also careful design of efficient AMP delivery systems. In the present brief review, we discuss microgels, as well as related polyelectrolyte complexes and macroscopic hydrogels, as delivery systems for AMPs. In doing so, key factors for peptide loading and release are outlined and exemplified, together with consequences of this for functional performance relating to antimicrobial effects and cell toxicity.
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| 3. |
- Engstedt, Jenni, et al.
(author)
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Swelling kinetics of mixtures of soybean phosphatidylcholine and glycerol dioleate
- 2024
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In: Colloids and Surfaces B. - : Elsevier. - 0927-7765 .- 1873-4367. ; 239
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Journal article (peer-reviewed)abstract
- Lipid-based drug delivery systems offer the potential to enhance bioavailability, reduce dosing frequency, and improve patient adherence. In aqueous environment, initially dry lipid depots take up water and form liquid crystalline phases. Variation of lipid composition, depot size and hydration-induced phase transitions will plausibly affect the diffusion in and out of the depot. Lipid depots of soybean phosphatidylcholine (SPC) and glycerol dioleate (GDO) mixtures were hydrated for varying time durations in a phosphate-buffered saline (PBS) buffer and then analyzed with Karl Fischer titration, magnetic resonance imaging (MRI) and gravimetrically. Mathematical modeling of the swelling process using diffusion equations, was used to estimate the parameters of diffusion. Both composition of lipid mixture and depot size affect swelling kinetics… The diffusion parameters obtained in Karl Fischer titration and MRI (with temporal and spatial resolution respectively) are in good agreement. Remarkably, the MRI results show a gradient of water content within the depot even after the end of diffusion process. Apparently contradicting the first Fick's law in its classical form, these results find an explanation using the generalized Fick's law that considers the gradient of chemical potential rather than concentration as the driving force of diffusion.
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| 4. |
- Fornasier, Marco, et al.
(author)
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Tuning lipid structure by bile salts: Hexosomes for topical administration of catechin
- 2021
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In: Colloids and Surfaces B: Biointerfaces. - : Elsevier BV. - 1873-4367 .- 0927-7765. ; 199
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Journal article (peer-reviewed)abstract
- The delivery of bio-active molecules through the skin is challenging given the complex structure of its outer layer, the stratum corneum. Here we explore the possibility to encapsulate natural compounds into nanocarriers containing permeation enhancers that can affect the fluidity of the stratum corneum lipids. This approach is expected to facilitate dermal or transdermal release. For this purpose, the application of bile salts, which are natural surfactants involved in vivo in lipid digestion, was exploited.Bile salts were added to lipid liquid crystalline nanoparticles (NPs) made of monoolein for antioxidant topical delivery. Monoolein self-assembly behaviour in water was affected by the presence of bile salts molecules, giving a transition from a bicontinuous cubic to unilamellar vesicles dispersion. By adding oleic acid (OA), the change of curvature in the system led to a reverse hexagonal phase. The morphology, structure and size of the nanocarriers was investigated before the nanoparticles were loaded with catechin, a natural antioxidant occurring in plants and food. The encapsulation did not affect significantly the formulation phase behaviour. The formulation loaded with bile salts and catechin was thereafter tested in vitro on the skin from new-born pig. The results for two different lipid formulations without bile salts were compared under the same experimental conditions and with the same antioxidant. The formulation with bile salts showed the best performance, allowing a superior permeation of catechin in the different skin layers in comparison with formulations without bile salt.
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| 5. |
- Grad, Philipp, et al.
(author)
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Improved accuracy and reproducibility of spontaneous liposome leakage measurements by the use of supported lipid bilayer-modified quartz cuvettes
- 2023
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In: Colloids and Surfaces B. - : Elsevier. - 0927-7765 .- 1873-4367. ; 221
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Journal article (peer-reviewed)abstract
- Recent studies have revealed avid interactions between liposomes and several solid materials, such as quartz, polystyrene (PS) and poly(methyl methacrylate) (PMMA), commonly found in cuvettes used for spectroscopic measurements. These interactions risk leading to detrimental changes in liposome structure and integrity that, if overlooked, may compromise the measurements. In case of leakage experiments based on probing the spontaneous release of encapsulated hydrophilic markers, the liposome-cuvette interactions may result in the recording of erroneously high degrees of leakage. In the present study we investigate the possibilities of preventing unwanted liposome-cuvette interactions through the use of quartz cuvettes passivated with supported lipid bilayers (SLBs). The results show that this strategy leads to higher reproducibility and significantly improved accuracy of the leakage measurements. The usefulness of the method is validated in comparative experiments focused on how changes in temperature and lipid phase state, as well as inclusion of poly(ethylene glycol)-conjugated lipids (PEG-lipids), affect the release of liposome encapsulated carboxyfluorescein (CF).
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| 6. |
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| 7. |
- Kral, Martin, et al.
(author)
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Nano-FTIR spectroscopy of surface confluent polydopamine films – What is the role of deposition time and substrate material?
- 2024
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In: Colloids and Surfaces B. - : Elsevier BV. - 0927-7765 .- 1873-4367. ; 235
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Journal article (peer-reviewed)abstract
- Polydopamine (PDA) is a widely used anchoring layer for multiple purposes. While simple to prepare, PDA is characterized by high chemical and topological diversity, which can limit its versatility. Unraveling the formation mechanism and physicochemical properties of continuous confluent layer and adherent nanoparticles on the nanoscale is crucial to further extend the prospective applications of PDA. Utilizing nano-FTIR spectroscopy, we investigate layers of PDA on three different substrates (silicon/silicon dioxide, nitrogen-doped titanium oxide, and gold substrates) at varying times of deposition (ToD). We observed a good correlation between the nano-FTIR and macroscopic FTIR spectra that reflected the changes in the relative abundance of PDA and polymerization intermediates as ToD increased. To gain analytical power, we utilized the principal component analysis (PCA) and extracted additional information from the resulting loadings spectral curves and data distribution in the score plots. We revealed a higher variability of the spectra of ultrathin surface confluent layers compared to the adherent nanoparticles. While the spectra of nanoparticles showed no apparent dependency on either ToD or the substrate material, the spectra of layers were highly affected by the increasing ToD and exhibited a rise in the absorption of PDA. Concomitantly, the spectra of layers grouped according to the substrate material at the lowest ToD point to the fact that the substrate material affects the PDA's initial physicochemical structure. The observed separation gradually diminished with the increasing ToD as the PDA physicochemical structure became less influenced by the substrate material.
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| 8. |
- Li, Jiachen, et al.
(author)
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A combined computational and experimental approach predicts thrombin adsorption to zeolites
- 2023
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In: Colloids and Surfaces B. - : Elsevier BV. - 0927-7765 .- 1873-4367. ; 221, s. 113007-
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Journal article (peer-reviewed)abstract
- Robust protein-nanomaterial surface analysis is important, but also a challenge. Thrombin plays an important role in the coagulant activity of protein corona mediated by Ca2+ ion exchanged zeolites. However, the mech-anism for this modulation remains unresolved. In this study, we proposed a combined computational and experimental approach to determine the adsorbed sites and orientations of thrombin binding to Ca2+-exchanged LTA-type (CaA) zeolite. Specifically, fourteen ensembles of simulated annealing molecular dynamics (SAMD) simulations and experimental surface residues microenvironment analysis were used to reduce the starting orientations needed for further molecular dynamics (MD) simulations. The combined MD simulations and pro -coagulant activity characterization also reveal the consequent corresponding deactivation of thrombin on CaA zeolite. It is mainly caused by two aspects: (1) the secondary structure of thrombin can change after its adsorption on the CaA zeolite. (2) The positively charged area of thrombin mediates the preferential interaction between thrombin and CaA zeolite. Some thrombin substrate sites are thus blocked by zeolite after its adsorption. This study not only provides a promising method for characterizing the protein-nanoparticle interaction, but also gives an insight into the design and application of zeolite with high procoagulant activity.
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| 9. |
- Lousada, Claudio M.
(author)
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Interactions between glucosides of the tip of the S1 subunit of SARS-CoV-2 spike protein and dry and wet surfaces of CuO and Cu-A model for the surfaces of coinage metals
- 2022
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In: Colloids and Surfaces B. - : Elsevier BV. - 0927-7765 .- 1873-4367. ; 214, s. 112465-
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Journal article (peer-reviewed)abstract
- Despite their importance there is little knowledge at the atomic scale on the interactions between fragments of SARS-CoV-2 and inorganic materials. Such knowledge is important to understand the survival of the virus at surfaces and for the development of antiviral materials. Here is reported a study of the interactions between glucoside monomers of the tip of the S1 subunit of SARS-CoV-2 spike protein with dry and wet surfaces of CuO and Cu, performed with dispersion corrected density functional theory & mdash;DFT. The three glucoside monomers that constitute the tip of S1: 6VSB, 6VXX and 6X6P, were adsorbed onto dry and wet CuO(111) and Cu(110) with different orientations and surface alignments.& nbsp;There are large differences & mdash;of up to 1.3 eV & mdash;in binding energies between these monomers and the surfaces. These differences depend on: the type of surface; if the surface is wet or dry; if the glucosidic O-atom points towards or away from the surfaces; and to a smaller extent on the surface alignment of the monomers. All monomers bind strongly to the surfaces via molecular adsorption that does not involve bond breaking in the monomers at this stage. 6VSB has the larger adsorption energies & mdash;that reach 2.2 eV & mdash;due to its larger dipole moment. Both materials bind the monomers more strongly when their surfaces are dry. At Cu(110) the bonds are on average 1 eV stronger when the surface is dry when compared to wet. The difference between dry and wet CuO(111) is smaller, in the order of 0.2 eV. Overall, it is here shown that the stability of the monomers of the tip of the spike protein of the virus is very different at different surfaces. For a given surface the larger binding energies in dry conditions could explain the differences in the surface stability of the spike protein depending on the presence of moisture.
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| 10. |
- Neamtu, Andrei, et al.
(author)
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Towards an optimal monoclonal antibody with higher binding affinity to the receptor-binding domain of SARS-CoV-2 spike proteins from different variants
- 2023
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In: Colloids and Surfaces B. - : Elsevier. - 0927-7765 .- 1873-4367. ; 221
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Journal article (peer-reviewed)abstract
- A highly efficient and robust multiple scales in silico protocol, consisting of atomistic Molecular Dynamics (MD), coarse-grain (CG) MD, and constant-pH CG Monte Carlo (MC), has been developed and used to study the binding affinities of selected antigen-binding fragments of the monoclonal antibody (mAbs) CR3022 and several of its here optimized versions against 11 SARS-CoV-2 variants including the wild type. Totally 235,000 mAbs structures were initially generated using the RosettaAntibodyDesign software, resulting in top 10 scored CR3022-like-RBD complexes with critical mutations and compared to the native one, all having the potential to block virus-host cell interaction. Of these 10 finalists, two candidates were further identified in the CG simulations to be the best against all SARS-CoV-2 variants. Surprisingly, all 10 candidates and the native CR3022 exhibited a higher affinity for the Omicron variant despite its highest number of mutations. The multiscale protocol gives us a powerful rational tool to design efficient mAbs. The electrostatic interactions play a crucial role and appear to be controlling the affinity and complex building. Studied mAbs carrying a more negative total net charge show a higher affinity. Structural determinants could be identified in atomistic simulations and their roles are discussed in detail to further hint at a strategy for designing the best RBD binder. Although the SARS-CoV-2 was specifically targeted in this work, our approach is generally suitable for many diseases and viral and bacterial pathogens, leukemia, cancer, multiple sclerosis, rheumatoid, arthritis, lupus, and more.
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