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1.
Curr Issues Mol Biol ; 46(2): 1064-1077, 2024 Jan 24.
Artigo em Inglês | MEDLINE | ID: mdl-38392185

RESUMO

Hepatitis B, a persistent inflammatory liver condition, stands as a significant global health issue. In Romania, the prevalence of chronic hepatitis B virus (CHB) infection ranks among the highest in the European Union. The HLA genotype significantly impacts hepatitis B virus infection progression, indicating that certain HLA variants can affect the infection's outcome. The primary goal of the present work is to identify HLA alleles and specific amino acid residues linked to hepatitis B within the Romanian population. The study enrolled 247 patients with chronic hepatitis B; HLA typing was performed using next-generation sequencing. This study's main findings include the identification of certain HLA alleles, such as DQB1*06:03:01, DRB1*13:01:01, DQB1*06:02:01, DQA1*01:03:01, DRB5*01:01:01, and DRB1*15:01:01, which exhibit a significant protective effect against HBV. Additionally, the amino acid residue alanine at DQB1_38 is associated with a protective role, while valine presence may signal an increased risk of hepatitis B. The present findings are important in addressing the urgent need for improved methods of diagnosing and managing CHB, particularly when considering the disease's presence in diverse population groups and geographical regions.

2.
Microorganisms ; 11(12)2023 Nov 30.
Artigo em Inglês | MEDLINE | ID: mdl-38138035

RESUMO

Bisphenol A and its analogues represent a significant environmental and public health hazard, particularly affecting the endocrine systems of children and newborns. Due to the growing need for non-pathogenic biodegradation microbial agents as environmentally friendly and cost-effective solutions to eliminate endocrine disruptors, this study aimed to investigate the degradation of bisphenol A by Ideonella sakaiensis, based on its currently understood unique enzymatic machinery that is already well known for degrading polyethylene terephthalate. The present study provides novel insights into the metabolic competence and growth particularities of I. sakaiensis. The growth of I. sakaiensis exposed to bisphenol A exceeded that in the control conditions, starting with 72 h in a 70% nutrient-rich medium and starting with 48 h in a 100% nutrient-rich medium. Computational modeling showed that bisphenol A, as well as its analogue bisphenol S, are possible substrates of PETase and MHETase. The use of bisphenol A as a carbon and energy source through a pure I. sakaiensis culture expands the known substrate spectra and the species' potential as a new candidate for bisphenol A bioremediation processes.

3.
Healthcare (Basel) ; 11(22)2023 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-37998410

RESUMO

BACKGROUND: Endodontic shaping causes stress and strain in the root canal dentin. Dentin microcracks have the potential to be later followed by root fractures occurring under the occlusal load. The aim of our research was to theoretically determine the values of such dentinal states of stress and strain during the endodontic shaping of curved root canals using finite element analysis (FEA). METHODS: To highlight the stress concentrations in dentin, two geometric models were created considering the volume of the curved dental root and the contact between the endodontic file and the root canal walls. The application of forces with different values was simulated both on a uniform curved root canal and on a root canal with an apical third curvature of 25° as they would be applied during the preparation of a root canal. RESULTS: In the case of the first model, which was acted upon with a force of 5 N, the deformations of the root canal appeared along the entire working length, reaching the highest values in the apical third of the root, although there were no geometric changes in the shape of the root canal. Regarding the second root model, with an apical third curvature of 25°, although the applied force was 2 N, the deformations were accompanied by geometric changes in the shape of the root, especially in the upper part of the apical third. At a higher force of 7 N exerted on the endodontic file, the geometric shape changed, and the deformation reached extreme critical values. The resulting tensile stresses appearing in the experimental structure varied similarly to the deformations. CONCLUSIONS: Significant stress and strain can develop, especially in the apical third of curved root canals during their shaping, and the risk of cracks is higher for endodontically treated teeth presenting severe curvatures in the apical third of the root.

4.
J Pers Med ; 13(10)2023 Oct 06.
Artigo em Inglês | MEDLINE | ID: mdl-37888077

RESUMO

Diabetes is a condition accompanied by the alteration of body parameters, including those related to lipids like triglyceride (TG), low-density lipoproteins (LDLs), and high-density lipoproteins (HDLs). The latter are grouped under the term dyslipidemia and are considered a risk factor for cardiovascular events. In the present work, we analyzed the complex relationships between twelve parameters (disease status, age, sex, body mass index, systolic blood pressure, diastolic blood pressure, TG, HDL, LDL, glucose, HbA1c levels, and disease onset) of patients with diabetes from Romania. An initial prospective analysis showed that HDL is inversely correlated with most of the parameters; therefore, we further analyzed the dependence of HDLs on the other factors. The analysis was conducted with the Code Interpreter plugin of ChatGPT, which was used to build several models from which Random Forest performed best. The principal predictors of HDLs were TG, LDL, and HbA1c levels. Random Forest models were used to model all parameters, showing that blood pressure and HbA1c can be predicted based on the other parameters with the least error, while the less predictable parameters were TG and LDL levels. By conducting the present study using the ChatGPT Code Interpreter, we show that elaborate analysis methods are at hand and easy to apply by researchers with limited computational resources. The insight that can be gained from such an approach, such as what we obtained on HDL level predictors in diabetes, could be relevant for deriving novel management strategies and therapeutic approaches.

5.
Nanomaterials (Basel) ; 13(17)2023 Aug 26.
Artigo em Inglês | MEDLINE | ID: mdl-37686938

RESUMO

Cleaning represents an important and challenging operation in the conservation of cultural heritage, and at present, a key issue consists in the development of more sustainable, "green" materials and methods to perform it. In the present work, a novel xylene-in-water microemulsion based on nonionic surfactants with low toxicity was obtained, designed as low-impact cleaning agent for metallic historic objects. Phase diagram of the mixtures containing polyoxyethylene-polyoxypropilene triblock copolymer Pluronic P84 and D-alpha-tocopheryl polyethylene glycol 1000 succinate (TPGS) as surfactants, water, ethanol and xylene was studied, and a microemulsion with low surfactant content was selected as suitable cleaning nanosystem. Essential oils (EOs) from thyme and cinnamon leaf were added to the selected microemulsion in order to include other beneficial properties such as anticorrosive and antifungal protection. The microemulsions with or without EOs were characterized by size, size distribution and zeta potential. The cleaning efficacy of the tested microemulsions was assessed based on their ability to remove two types of artificial dirt by using X-ray energy dispersion spectrometry (EDX), scanning electron microscopy (SEM), contact angle measurements and color analysis. Microemulsions exhibit high capacity to remove artificial dirt from model copper coupons in spite of very low content of the organic solvent. Both thyme and cinnamon oil loading microemulsions prove to significantly reduce the corrosion rate of treated metallic plates compared to those of bare copper. The antifungal activity of the novel type of microemulsion was evaluated against Aspergillus niger, reported as main treat in biocorrosion of historic copper artifacts. Application of microemulsion with small amounts of EOs on Cu plates inhibits the growth of fungi, providing a good fungicidal effect.

6.
Nutrients ; 15(16)2023 Aug 18.
Artigo em Inglês | MEDLINE | ID: mdl-37630817

RESUMO

Aspartame is the methyl-ester of the aspartate-phenylalanine dipeptide. Over time, it has become a very popular artificial sweetener. However, since its approval by the main food safety agencies, several concerns have been raised related to neuropsychiatric effects and neurotoxicity due to its ability to activate glutamate receptors, as well as carcinogenic risks due to the increased production of reactive oxygen species. Within this review, we critically evaluate reports concerning the safety of aspartame. Some studies evidenced subtle mood and behavioral changes upon daily high-dose intake below the admitted limit. Epidemiology studies also evidenced associations between daily aspartame intake and a higher predisposition for malignant diseases, like non-Hodgkin lymphomas and multiple myelomas, particularly in males, but an association by chance still could not be excluded. While the debate over the carcinogenic risk of aspartame is ongoing, it is clear that its use may pose some dangers in peculiar cases, such as patients with seizures or other neurological diseases; it should be totally forbidden for patients with phenylketonuria, and reduced doses or complete avoidance are advisable during pregnancy. It would be also highly desirable for every product containing aspartame to clearly indicate on the label the exact amount of the substance and some risk warnings.


Assuntos
Aspartame , Aditivos Alimentares , Masculino , Feminino , Gravidez , Humanos , Aspartame/efeitos adversos , Aditivos Alimentares/efeitos adversos , Dipeptídeos , Afeto , Carcinogênese , Carcinógenos , Edulcorantes/efeitos adversos
7.
Life (Basel) ; 12(10)2022 Oct 12.
Artigo em Inglês | MEDLINE | ID: mdl-36295017

RESUMO

The Danube River has a large hydrographical basin, being the second largest river in Europe. The main channel flows through seven European countries with many species of fish inhabiting it. In this review we focused on the invasive species silver carp (Hypophthalmichthys molitrix), which plays an important ecological and economic role in its original habitat, but since introduced in Europe's rivers, the species has posed a serious ecological risk under global warming. In this review paper, we gathered data regarding silver carp, such as when and how it entered the Danube Delta and the water temperature suitable for its growth and reproduction, mainly in the context of global warming, as well as the nature of nutrition and the ecological risk the species poses.

8.
Artigo em Inglês | MEDLINE | ID: mdl-35886424

RESUMO

Considering thermal environment aspects have a major impact not only on occupational health and safety (OH&S) performance but also on the productivity and satisfaction of the workers, the aim of the case study was to assess the thermal comfort of a group of 33 workers in an automotive industry company, starting with collecting data about the thermal environment from different workplaces, continuing with the analytical determination and interpretation of thermal comfort using the calculation of the Predicted Mean Vote (PMV) and Predicted Percentage of Dissatisfied (PPD) indices, according to provisions of the standard ISO 7730:2005, and comparing the results with the subjective perception of the workers revealed by applying individual questionnaires. The results of the study represent an important input element for establishing the preventive and protective measures for the analysed workplaces in correlation with the measures addressing other specific risks and, also, could serve as a model for extending and applying to other similar workplaces in future studies. Moreover, the mathematical model and the software instrument used for this study case could be used in further similar studies on larger groups of workers and in any industrial domain.


Assuntos
Saúde Ocupacional , Humanos , Indústrias , Inquéritos e Questionários , Temperatura , Local de Trabalho
9.
Molecules ; 27(10)2022 May 19.
Artigo em Inglês | MEDLINE | ID: mdl-35630748

RESUMO

THz spectroscopy is important for the study of ion channels because it directly addresses the low frequency collective motions relevant for their function. Here we used THz spectroscopy to investigate the inhibition of the epithelial sodium channel (ENaC) by its specific blocker, amiloride. Experiments were performed on A6 cells' suspensions, which are cells overexpressing ENaC derived from Xenopus laevis kidney. THz spectra were investigated with or without amiloride. When ENaC was inhibited by amiloride, a substantial increase in THz absorption was noticed. Molecular modeling methods were used to explain the observed spectroscopic differences. THz spectra were simulated using the structural models of ENaC and ENaC-amiloride complexes built here. The agreement between the experiment and the simulations allowed us to validate the structural models and to describe the amiloride dynamics inside the channel pore. The amiloride binding site validated using THz spectroscopy agrees with previous mutagenesis studies. Altogether, our results show that THz spectroscopy can be successfully used to discriminate between native and inhibited ENaC channels and to characterize the dynamics of channels in the presence of their specific antagonist.


Assuntos
Amilorida , Canais Epiteliais de Sódio , Amilorida/metabolismo , Amilorida/farmacologia , Animais , Canais Epiteliais de Sódio/genética , Canais Epiteliais de Sódio/metabolismo , Oócitos/metabolismo , Análise Espectral , Xenopus laevis/metabolismo
10.
Pharmaceutics ; 14(1)2021 Dec 29.
Artigo em Inglês | MEDLINE | ID: mdl-35056971

RESUMO

Biocompatible gel microemulsions containing natural origin excipients are promising nanocarrier systems for the safe and effective topical application of hydrophobic drugs, including antifungals. Recently, to improve fluconazole skin permeation, tolerability and therapeutic efficacy, we developed topical biocompatible microemulsions based on cinnamon, oregano or clove essential oil (CIN, ORG or CLV) as the oil phase and sucrose laurate (D1216) or sucrose palmitate (D1616) as surfactants, excipients also possessing intrinsic antifungal activity. To follow up this research, this study aimed to improve the adhesiveness of respective fluconazole microemulsions using chitosan (a biopolymer with intrinsic antifungal activity) as gellator and to evaluate the formulation variables' effect (composition and concentration of essential oil, sucrose ester structure) on the gel microemulsions' (MEGELs) properties. All MEGELs were evaluated for drug content, pH, rheological behavior, viscosity, spreadability, in vitro drug release and skin permeation and antifungal activity. The results showed that formulation variables determined distinctive changes in the MEGELs' properties, which were nevertheless in accordance with official requirements for semisolid preparations. The highest flux and release rate values and large diameters of the fungal growth inhibition zone were produced by formulations MEGEL-FZ-D1616-CIN 10%, MEGEL-FZ-D1216-CIN 10% and MEGEL-FZ-D1616-ORG 10%. In conclusion, these MEGELs were demonstrated to be effective platforms for fluconazole topical delivery.

11.
J Colloid Interface Sci ; 581(Pt A): 102-111, 2021 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-32771722

RESUMO

HYPOTHESIS: Nonionic surfactants have been widely used for many consumer products and industrial processes, and their applications often involve temperature-cycling across cloud point temperature (Tcloud). To explore the behavior of nonionic surfactants across Tcloud and when mixed with colloidal silica at a very dilute concentration around 0.1 wt%, a series of 1,2-epoxybutane-capped alcohol ethoxylates (BAEs) with various cloud points is used as a model system. EXPERIMENTS: BAEs with cloud points from 15 to 64 °C were successfully prepared by varying the lengths of 1,2-epoxybutane (BO) and ethylene oxide (EO) blocks and their phase behavior across Tcloud was studied using nuclear magnetic resonance spectroscopy (NMR), dynamic light scattering (DLS) and differential scanning calorimetry (DSC). FINDINGS: In the absence of silica, the NMR signals are not greatly affected by the cloud point transition, but both the water and surfactant exhibit a decrease in spin-spin relaxation time once the temperature reaches the Tcloud. In the presence of silica, the NMR spectra indicate significantly reduced mobility of the EO portion relative to the alkyl and BO segments. Furthermore, our results suggest that the BAE surfactants are not fractionally clouding out or precipitating with a portion of the compositional distribution during the cloud point transition.

12.
J Environ Manage ; 276: 111326, 2020 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-32891981

RESUMO

This study was focused on creating a new and effective immobilization method for Trametes versicolor laccase (Lc) by using chitosan (CS) microspheres activated with 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride. The activation of the support alternated with immobilization of the enzyme, in repetitive procedures, led to obtaining three different products. Also, the physicochemical properties of the new products were investigated and compared with those of free laccase. The discoloration and reusability properties of the immobilized Lc were evaluated using indigo carmine (IC) as a model micropollutant. The ESEM and FT-IR methods demonstrated that the Lc was successfully immobilized. The relative reaction rate and the total amount of immobilized Lc were tripled using the iterative protocol as proved by specific and Bradford assays. The maximum amount of immobilized Lc was 8.4 mg Lc/g CS corresponding to the third immobilization procedure. Compared to the free Lc, the operational stability of the immobilized Lc was significantly improved, presenting a maximum activity plateau over a pH range of 3-5 and a temperature range of 25-50 °C. The thermal inactivation study at 55 °C proved that the immobilized enzyme is three times more stable than the free Lc. The isoconversional and Michaelis-Menten methods showed that the immobilization did not affect the enzyme catalytic properties. After 32 days of storage, the residual activities are 85% for the immobilized laccase and 40% for the free one. In similar conditions, the free and immobilized Lc (2.12 x 10-6 M) completely decolorized IC (7.15 x 10-5 M) within 14 min. The immobilized Lc activity remained almost constant (80%) during 10 reusability cycles. All these results highlight the substantial advantages of the new immobilization protocol and demonstrate that immobilized Lc can be used as a promising micropollutant removal from real wastewater.


Assuntos
Quitosana , Lacase , Enzimas Imobilizadas/metabolismo , Concentração de Íons de Hidrogênio , Cinética , Lacase/metabolismo , Microesferas , Espectroscopia de Infravermelho com Transformada de Fourier , Temperatura , Trametes
13.
Carbohydr Polym ; 246: 116571, 2020 Oct 15.
Artigo em Inglês | MEDLINE | ID: mdl-32747243

RESUMO

The study sheds light on the interaction between chitosan (Ch) and polyglycidol (PGL) and uses their interpolymer complex in hydrophilic coating of iron oxide particles (M). Preliminary investigations were performed by modeling chitosan and polyglycidol chains interactions using coarse grained beads approximation and molecular dynamics simulations. The results revealed that Ch and PGL chains associate together forming weak strength complexes, which was experimentally confirmed by surface tension, fluorescence and FTIR. The Ch-PGL mixture (C) and sodium dodecylsulfate (S) were used for layer-by-layer preparation of hydrophilic multilayer coatings of M. The successful covering, demonstrated by DLS, Zeta potential, FTIR, EDAX, preserved the particles super-paramagnetic properties. The most stable multilayer nanocomposite (MSCS) efficiently adsorbed methylene blue from water. The Freundlich model fitted well the equilibrium isotherm data, indicating a heterogeneous, multilayer adsorption. Benefiting from both nano-size and magnetic properties, this adsorbent could be an effectively, cheaply and eco-friendly wastewater treatment means.


Assuntos
Quitosana/química , Corantes/química , Compostos Férricos/química , Nanopartículas Magnéticas de Óxido de Ferro/química , Azul de Metileno/química , Propilenoglicóis/química , Adsorção , Interações Hidrofóbicas e Hidrofílicas , Simulação de Dinâmica Molecular , Nanocompostos/química , Tamanho da Partícula , Dodecilsulfato de Sódio/química , Solubilidade , Espectroscopia de Infravermelho com Transformada de Fourier , Tensão Superficial , Água/química , Poluentes Químicos da Água/química , Purificação da Água/métodos
14.
J Biomol Struct Dyn ; 38(9): 2659-2671, 2020 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-31315508

RESUMO

The binding of drugs to serum proteins is governed by weak non-covalent forces. In this study, the nature and magnitude of the interactions between piroxicam (PRX) and bovine serum albumin (BSA) was assessed using spectroscopic, calorimetric and computational molecular methods. The fluorescence data revealed an atypical behavior during PRX and BSA interaction. The quenching process of tryptophan (Trp) by PRX is a dual one (approximately equal static and dynamic quenched components). The FRET results indicate that a non-radiative transfer of energy occurred. The association constant and the number of binding sites indicate moderate PRX and BSA binding. The competitive binding study indicates that PRX is bound to site I from the hydrophobic pocket of subdomain IIA of BSA. The synchronous spectra showed that the microenvironment around the BSA fluorophores and protein conformation do not change considerably. The Trp lifetimes revealed that PRX mainly quenches the fluorescence of Trp-213 situated in the hydrophobic domain. The CD and DSC investigation show that addition of PRX stabilizes the protein structure. ITC results revealed that BSA-PRX binding involves a combination of electrostatic, hydrophobic and hydrogen interactions. The analysis of the computational data is consistent with the experimental results. This thorough investigation of the PRX-BSA binding may provide support for other studies concerning moderate affinity drugs with serum protein.Communicated by Ramaswamy H. Sarma.


Assuntos
Piroxicam , Soroalbumina Bovina , Sítios de Ligação , Dicroísmo Circular , Simulação de Acoplamento Molecular , Ligação Proteica , Soroalbumina Bovina/metabolismo , Espectrometria de Fluorescência , Espectrofotometria Ultravioleta , Termodinâmica
15.
Sci Rep ; 8(1): 5289, 2018 03 27.
Artigo em Inglês | MEDLINE | ID: mdl-29588488

RESUMO

Due to their outstanding properties, quantum dots (QDs) received a growing interest in the biomedical field, but it is of major importance to investigate and to understand their interaction with the biomolecules. We examined the stability of silicon QDs and the time evolution of QDs - protein corona formation in various biological media (bovine serum albumin, cell culture medium without or supplemented with 10% fetal bovine serum-FBS). Changes in the secondary structure of BSA were also investigated over time. Hydrodynamic size and zeta potential measurements showed an evolution in time indicating the nanoparticle-protein interaction. The protein corona formation was also dependent on time, albumin adsorption reaching the peak level after 1 hour. The silicon QDs adsorbed an important amount of FBS proteins from the first 5 minutes of incubation that was maintained for the next 8 hours, and diminished afterwards. Under protein-free conditions the QDs induced cell membrane damage in a time-dependent manner, however the presence of serum proteins attenuated their hemolytic activity and maintained the integrity of phosphatidylcholine layer. This study provides useful insights regarding the dynamics of BSA adsorption and interaction of silicon QDs with proteins and lipids, in order to understand the role of QDs biocorona.


Assuntos
Pontos Quânticos/metabolismo , Dióxido de Silício/metabolismo , Silício/metabolismo , Adsorção , Animais , Bovinos , Hemólise/efeitos dos fármacos , Humanos , Coroa de Proteína/química , Coroa de Proteína/metabolismo , Estrutura Secundária de Proteína/efeitos dos fármacos , Pontos Quânticos/efeitos adversos , Soroalbumina Bovina/química , Soroalbumina Bovina/metabolismo , Silício/efeitos adversos , Dióxido de Silício/efeitos adversos
16.
CNS Neurol Disord Drug Targets ; 16(7): 800-811, 2017.
Artigo em Inglês | MEDLINE | ID: mdl-28088901

RESUMO

BACKGROUND: Alzheimer's disease (AD) therapy is based on several natural and synthetic compounds that act as acetylcholinesterase (AChE) and N-methyl-D-aspartate receptor (NMDA) ligands that have limited efficiency in relieving AD symptoms. Recent studies show that inhibitors isolated from Mentha spicata L. subsp. spicata are promising for AD therapy. OBJECTIVE: We aimed to identify novel and more potent phytopharmaceutical compounds for AD treatment by taking into account the compounds from Mentha spicata L. subsp. spicata essential oil. METHOD: We generated structure-activity relationship (SAR) models that predict the biological activities of 14 Mentha spicata L. subsp. spicata compounds on AChE and NMDA by comparing their molecular features with those of the three conventional ligands: donepezil, galantamine and memantine. RESULTS: The most relevant descriptors for predicting the biological activities of considered compounds are solvent accessible area and their subdivided, hydrophobicity, energy of frontier molecular orbitals and counts of the aromatic ring and rotatable bounds. 1,8-cineole, the main compound from Mentha spicata L. subsp. spicata essential oil, resulted to be similar with memantine and dissimilar with donepezil in respect to hidrophobicity (logP1,8-cineole=2.95, logPmemantine=2.81, logPdonepezil=4.11), the energy of LUMO (eLUMO1,8-cineole=3.01 eV, eLUMOmemantine=3.35 eV, eLUMOdonepezil=-0.35 eV) and the solvent accessible surface areas over all hydrophobic (SA_H1,8-cineole= 350 Å2, SA_Hmemantine= 358 Å2, SA_Hdonepezil= 655 Å2) or polar atoms (SA_P1,8-cineole= 4 Å2, SA_Pmemantine=10 Å2, SA_Pdonepezil=44.62 Å2). CONCLUSION: Our results point towards 1,8-cineole as a good candidate for NMDA antagonism, with a weaker AChE inhibitory effect. Our results may be useful in establishing new therapeutic strategies for neurological disorders.


Assuntos
Inibidores da Colinesterase/farmacologia , Cicloexanóis/química , Antagonistas de Aminoácidos Excitatórios/farmacologia , Galantamina/química , Indanos/química , Memantina/química , Mentha spicata/química , Monoterpenos/química , Óleos Voláteis/farmacologia , Piperidinas/química , Inibidores da Colinesterase/química , Cicloexanóis/farmacologia , Donepezila , Eucaliptol , Antagonistas de Aminoácidos Excitatórios/química , Galantamina/farmacologia , Interações Hidrofóbicas e Hidrofílicas , Indanos/farmacologia , Memantina/farmacologia , Modelos Moleculares , Estrutura Molecular , Monoterpenos/farmacologia , Óleos Voláteis/química , Piperidinas/farmacologia , Relação Estrutura-Atividade
17.
J Photochem Photobiol B ; 153: 198-205, 2015 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26422749

RESUMO

The study systematically investigates aqueous mixtures of fixed bovine serum albumin (BSA) and various ethoxylated nonionic surfactants belonging to a homologous series or not. Mono-disperse tetra-(C12E4), hexa-(C12E6) and octa-ethyleneglycol mono-n-dodecyl ether (C12E8), and poly-disperse eicosa-ethyleneglycol mono-n-tetradecyl ether (C14EO20) are respectively employed. Fluorescence and circular dichroism measurements are performed at surfactant/protein molar ratios (rm)s lower and higher than one. We aim to get new insights into the binding mechanism of these species and to differentiate among the interaction abilities of these surfactants. The relative magnitude of the binding thermodynamic parameters by fluorescence, and the increase of α-helix prove that hydrogen bonding drives the interaction next to the hydrophobic attraction. C12En (n=4,6,8) develop more H bonds with the albumin than C14EO20 owing to a zigzag conformation of their short ethyleneoxide chains. Among the homologous surfactants, C12E6 has a slightly stronger interaction with BSA due to a maximal number of H bonds at a minimal hindering. Static fluorescence and dynamic fluorescence indicate an inter-conversion between the tryptophan (Trp) rotamers which happens around the surfactants critical micellar concentration. For C14EO20, the meander conformation of the polar group determines a less evident conversion of the Trp rotamers and smaller α-helix rise. Binding isotherms of the homologous surfactants and the fluorescence quenching mechanism by C12E6 are also provided.


Assuntos
Soroalbumina Bovina/metabolismo , Tensoativos/metabolismo , Animais , Bovinos , Dicroísmo Circular , Ligação de Hidrogênio , Interações Hidrofóbicas e Hidrofílicas , Ligação Proteica , Estrutura Secundária de Proteína , Soroalbumina Bovina/química , Espectrometria de Fluorescência , Tensoativos/química , Termodinâmica , Triptofano/química
18.
Rom J Morphol Embryol ; 56(1): 257-62, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-25826513

RESUMO

Orthodontic treatment has, as any other medical intervention, in addition to its benefits, side effects, some of them being perceived as unavoidable. The aim of this case series was to microscopically evaluate the changes of the tooth surface in relation to fixed orthodontic treatment. A case series study was implemented by the usage of four extracted first maxillary premolars, from patients with previous orthodontic treatment, of 12 and 23 months. Analysis was performed using the high precision stereomicroscope (Axiovert, Carl Zeiss, Germany), at magnifications from 10× to 50×. The tooth surface corresponding to the bracket bonding area registered numerous disorderly grooves and cracks, with various directions and depths, and was flattened, having lower convexity compared to teeth surfaces where brackets were not bonded. Root resorption lacunae were more frequently observed in teeth under orthodontic treatment, these having various depths, and sizes considerably larger than those observed in teeth without orthodontic treatment. Following orthodontic treatment, teeth exhibit changes that can be perceived as being directly linked to this medical intervention. These teeth changes usually have low or moderate severity, which can be influenced at some degree by the clinical conduct of the orthodontic treatment. The stereomicroscope proved to be a high sensitivity tool for the analysis of morphological changes of teeth in relation to the fixed orthodontic treatment.


Assuntos
Esmalte Dentário/fisiopatologia , Braquetes Ortodônticos , Ortodontia/métodos , Dente/fisiologia , Dente Pré-Molar/fisiopatologia , Humanos , Microscopia , Higiene Bucal , Radiografia , Fatores de Risco , Reabsorção da Raiz , Dente/diagnóstico por imagem
19.
AAPS PharmSciTech ; 16(4): 889-904, 2015 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-25591952

RESUMO

The aim of the present investigation was to develop and evaluate microemulsion-loaded hydrogels (MEHs) for the topical delivery of fluconazole (FZ). The solubility of FZ in oils, surfactants and cosurfactants was evaluated to identify the components of the microemulsion. The pseudo-ternary phase diagrams were constructed using the novel phase diagram by micro-plate dilution method. Carbopol EDT 2020 was used to convert FZ-loaded microemulsions into gel form without affecting their structure. The selected microemulsions were assessed for globule size, zeta potential and polidispersity index. Besides this, the microemulsion-loaded hydrogel (MEH) formulations were evaluated for drug content, pH, rheological properties and in vitro drug release through synthetic membrane and excised pig ear skin in comparison with a conventional hydrogel. The optimised MEH FZ formulations consisting of FZ 2%, Transcutol P 11.5% and 11%, respectively, as oil phase, Lansurf SML 20-propyleneglycol 52% and 50%, respectively, as surfactant-cosurfactant (2:1), Carbopol EDT 2020 1.5% as gelling agent and water 34.5% and 37%, respectively, showed highest flux values and high release rate values, and furthermore, they had low surfactant content. The in vitro FZ permeation through synthetic membrane and excised pig ear skin from the studied MEHs was best described by the zero-order and first-order models. Finally, the optimised MEH FZ formulations showed similar or slightly higher antifungal activity as compared to that of conventional hydrogel and Nizoral® cream, respectively. The results suggest the potential use of developed MEHs as vehicles for topical delivery of FZ, encouraging further in vitro and in vivo evaluation.


Assuntos
Antifúngicos/administração & dosagem , Emulsões , Fluconazol/administração & dosagem , Hidrogéis , Administração Tópica , Animais , Técnicas In Vitro , Suínos
20.
Molecules ; 19(11): 17943-56, 2014 Nov 04.
Artigo em Inglês | MEDLINE | ID: mdl-25375335

RESUMO

Biofilms formed by bacterial cells are associated with drastically enhanced resistance against most antimicrobial agents, contributing to the persistence and chronicization of the microbial infections and to therapy failure. The purpose of this study was to combine the unique properties of magnetic nanoparticles with the antimicrobial activity of three essential oils to obtain novel nanobiosystems that could be used as coatings for catheter pieces with an improved resistance to Staphylococcus aureus and Klebsiella pneumoniae clinical strains adherence and biofilm development. The essential oils of ylang ylang, patchouli and vanilla were stabilized by the interaction with iron oxide@C14 nanoparticles to be further used as coating agents for medical surfaces. Iron oxide@C14 was prepared by co-precipitation of Fe+2 and Fe+3 and myristic acid (C14) in basic medium. Vanilla essential oil loaded nanoparticles pelliculised on the catheter samples surface strongly inhibited both the initial adherence of S. aureus cells (quantified at 24 h) and the development of the mature biofilm quantified at 48 h. Patchouli and ylang-ylang essential oils inhibited mostly the initial adherence phase of S. aureus biofilm development. In the case of K. pneumoniae, all tested nanosystems exhibited similar efficiency, being active mostly against the adherence K. pneumoniae cells to the tested catheter specimens. The new nanobiosystems based on vanilla, patchouli and ylang-ylang essential oils could be of a great interest for the biomedical field, opening new directions for the design of film-coated surfaces with anti-adherence and anti-biofilm properties.


Assuntos
Aderência Bacteriana/efeitos dos fármacos , Biofilmes/efeitos dos fármacos , Compostos Férricos/química , Klebsiella pneumoniae/química , Nanoestruturas/química , Óleos Voláteis/farmacologia , Staphylococcus aureus/efeitos dos fármacos , Antibacterianos/química , Antibacterianos/farmacologia , Cananga/química , Infecções por Klebsiella/tratamento farmacológico , Testes de Sensibilidade Microbiana , Óleos Voláteis/química , Sesquiterpenos/química , Sesquiterpenos/farmacologia , Infecções Estafilocócicas/tratamento farmacológico , Vanilla/química
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