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1.
Ecotoxicology ; 2024 Jun 29.
Article in English | MEDLINE | ID: mdl-38949723

ABSTRACT

In recent years, the presence of Pharmaceutical Active Compounds (PhACs) in ecosystems has become a serious environmental problem due to their capacity to induce harmful effects at extremely low concentrations in both humans and wildlife. Water treatment plants have not been designed to remove these types of compounds efficiently. Thus, the detection of these pollutants is essential to evaluate their negative impacts and is one of the emerging issues in environmental chemistry. The main objective of this study is to determine the bacterial toxicity of two PhACs (both individually and as a mixture) through the quantification of bioluminescence inhibition in the marine bacteria Aliivibrio fischeri, a commonly used method in short-term toxicity tests. In this work, Acetaminophen and Edaravone, two drugs approved by the Food and Drug Administration, have been studied. The acute toxicity of these PhACs has been tested at two exposure times (5 and 15 min) and different concentrations, by estimation of the median effective concentration (EC50) for each individual compound or in combination at different concentrations. Moreover, the EC50 of the binary mixtures Acetaminophen/Edaravone have been forecast using two traditional predictive models, Concentration Addition and Independent Action. The results show that toxicity decreases with exposure time and depends on the concentration tested. Furthermore, a novel semi-empirical Van Laar-based model has been proposed and validated with the experimental data from this study and literature data, obtaining satisfactory estimations of the EC50 for binary mixtures.

2.
Pathogens ; 13(6)2024 Jun 16.
Article in English | MEDLINE | ID: mdl-38921806

ABSTRACT

Haemonchus contortus, a blood-feeding parasite in grazing sheep, causes economic losses. Drug resistance necessitates exploring plant-based anthelmintics like Artemisia cina (Asteraceae). The plant, particularly its ethyl acetate extract, shows anthelmintic activity against H. contortus. However, there is limited information on pharmacodynamic interactions in ethyl acetate compounds. The study aims to identify pharmacodynamic interactions in the ethyl acetate extract of A. cina with anthelmintic effects on H. contortus eggs and L3 larvae using binary mixtures. Bioactive compounds were isolated via chromatography and identified using spectroscopic techniques. Pharmacodynamic interactions were assessed through binary mixtures with a main compound. Four bioactive compounds were identified: 1-nonacosanol, hentriacontane, peruvin, and cinic acid. Binary mixtures, with peruvin as the main compound, were performed. Peruvin/1-nonacosanol-hentriacontane and peruvin/cinic acid mixtures demonstrated 1.42-fold and 4.87-fold increased lethal effects in H. contortus L3 infective larvae, respectively, at a 0.50LC25/0.50LC25 concentration. In this work, we determined the synergism between bioactive compounds isolated from the ethyl acetate extract of A. cina and identified unreported compounds for the specie.

3.
Mol Pharm ; 21(6): 3027-3039, 2024 Jun 03.
Article in English | MEDLINE | ID: mdl-38755753

ABSTRACT

This study presents a novel approach by utilizing poly(vinylpyrrolidone)s (PVPs) with various topologies as potential matrices for the liquid crystalline (LC) active pharmaceutical ingredient itraconazole (ITZ). We examined amorphous solid dispersions (ASDs) composed of ITZ and (i) self-synthesized linear PVP, (ii) self-synthesized star-shaped PVP, and (iii) commercial linear PVP K30. Differential scanning calorimetry, X-ray diffraction, and broad-band dielectric spectroscopy were employed to get a comprehensive insight into the thermal and structural properties, as well as global and local molecular dynamics of ITZ-PVP systems. The primary objective was to assess the influence of PVPs' topology and the composition of ASD on the LC ordering, changes in the temperature of transitions between mesophases, the rate of their restoration, and finally the solubility of ITZ in the prepared ASDs. Our research clearly showed that regardless of the PVP type, both LC transitions, from smectic (Sm) to nematic (N) and from N to isotropic (I) phases, are effectively suppressed. Moreover, a significant difference in the miscibility of different PVPs with the investigated API was found. This phenomenon also affected the solubility of API, which was the greatest, up to 100 µg/mL in the case of starPVP 85:15 w/w mixture in comparison to neat crystalline API (5 µg/mL). Obtained data emphasize the crucial role of the polymer's topology in designing new pharmaceutical formulations.


Subject(s)
Calorimetry, Differential Scanning , Itraconazole , Liquid Crystals , Povidone , Solubility , X-Ray Diffraction , Itraconazole/chemistry , Liquid Crystals/chemistry , Povidone/chemistry , Calorimetry, Differential Scanning/methods , X-Ray Diffraction/methods , Polymers/chemistry , Antifungal Agents/chemistry , Drug Compounding/methods , Crystallization , Chemistry, Pharmaceutical/methods
4.
Pharmaceutics ; 16(1)2024 Jan 19.
Article in English | MEDLINE | ID: mdl-38276506

ABSTRACT

In this paper, we propose one-step synthetic strategies for obtaining well-defined linear and star-shaped polyvinylpyrrolidone (linPVP and starPVP). The produced macromolecules and a commercial PVP K30 with linear topology were investigated as potential matrices for suppressing metronidazole (MTZ) crystallization. Interestingly, during the formation of binary mixtures (BMs) containing different polymers and MTZ, we found that linear PVPs exhibit maximum miscibility with the drug at a 50:50 weight ratio (w/w), while the star-shaped polymer mixes with MTZ even at a 30:70 w/w. To explain these observations, comprehensive studies of MTZ-PVP formulations with various contents of both components were performed using Fourier-transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffraction. The obtained results clearly showed that the polymer's topology plays a significant role in the type of interactions occurring between the matrix and MTZ. Additionally, we established that for MTZ-PVP 50:50 and 75:25 w/w BMs, linear polymers have the most substantial impact on inhibiting the crystallization of API. The star-shaped macromolecule turned out to be the least effective in stabilizing amorphous MTZ at these polymer concentrations. Nevertheless, long-term structural investigations of the MTZ-starPVP 30:70 w/w system (which is not achievable for linear PVPs) demonstrated its complete amorphousness for over one month.

5.
Materials (Basel) ; 16(18)2023 Sep 21.
Article in English | MEDLINE | ID: mdl-37763610

ABSTRACT

Dapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS: 112-57-2), and diethylene glycol bis(3-aminopropyl) ether (CAS: 4246-51-9). Furthermore, the study proposes the use of intermolecular interactions as molecular descriptors to predict the solubility of dapsone in neat solvents and binary mixtures using machine learning models. An ensemble of regressors was used, including support vector machines, random forests, gradient boosting, and neural networks. Affinities of dapsone to solvent molecules were calculated using COSMO-RS and used as input for model training. Due to the polymorphic nature of dapsone, fusion data are not available, which prohibits the direct use of COSMO-RS for solubility calculations. Therefore, a consonance solvent approach was tested, which allows an indirect estimation of the fusion properties. Unfortunately, the resulting accuracy is unsatisfactory. In contrast, the developed regressors showed high predictive potential. This work documents that intermolecular interactions characterized by solute-solvent contacts can be considered valuable molecular descriptors for solubility modeling and that the wealth of encoded information is sufficient for solubility predictions for new systems, including those for which experimental measurements of thermodynamic properties are unavailable.

6.
Insects ; 14(9)2023 Sep 13.
Article in English | MEDLINE | ID: mdl-37754729

ABSTRACT

Over the past several decades, the extensive use of pyrethroids has led to the development of resistance in many insect populations, including the economically damaging pest tarnished plant bug (TPB), Lygus lineolaris, on cotton. To manage TPB resistance, several commercially formulated pyrethroid-containing binary mixtures, in combination with neonicotinoids or avermectin are recommended for TPB control and resistance management in the mid-South USA. This study aimed to evaluate the toxicity and resistance risks of four formulated pyrethroid-containing binary mixtures (Endigo, Leverage, Athena, and Hero) on one susceptible and two resistant TPB populations, which were field-collected in July (Field-R1) and October (Field-R2), respectively. Based on LC50 values, both resistant TPB populations displayed variable tolerance to the four binary mixtures, with Hero showing the highest resistance and Athena the lowest. Notably, the Field-R2 exhibited 1.5-3-fold higher resistance compared to the Field-R1 for all four binary insecticides. Moreover, both resistant TPB populations demonstrated significantly higher resistance ratios towards Hero and Leverage compared to their corresponding individual pyrethroid, while Endigo and Athena showed similar or lower resistance. This study also utilized the calculated additive index (AI) and co-toxicity coefficient (CTC) analysis, which revealed that the two individual components in Leverage exhibited antagonist effects against the two resistant TPB populations. In contrast, the two individual components in Endigo, Hero, and Athena displayed synergistic interactions. Considering that Hero is a mixture of two pyrethroids that can enhance the development of TPB resistance, our findings suggest that Endigo and Athena are likely superior products for slowing down resistance development in TPB populations. This study provides valuable insight for selecting the most effective mixtures to achieve better TPB control through synergistic toxicity analysis, while simultaneously reducing economic and environmental risks associated with resistance development in the insect pest.

7.
Spectrochim Acta A Mol Biomol Spectrosc ; 302: 123057, 2023 Dec 05.
Article in English | MEDLINE | ID: mdl-37451212

ABSTRACT

This work provides new insight into the state of water in a series of aliphatic ketones. For our studies, we selected nine aliphatic ketones of different size and structure to examine the effect of various structural motifs on behavior of water in the mixtures. Our results reveal that conformational flexibility of aliphatic chains in the linear ketones allows for effective shielding of the carbonyl group, and this flexibility is the main reason for poor solubility of water. Hence, in the linear ketones molecules of water are involved mostly in ketone-water interactions, while the water-water interactions are rare. Higher solubility of water in the cyclic ketones allows for creation of clusters of water, where the molecules are in water-like environment. The temperature rise in wet cyclic ketones increases population of ketone-water interactions at the expense of the water-water ones, while in the linear ketones and 2,6-dimethylcyclohexanone at an elevated temperature there is an increase in the population of singly bonded water at the expense of the doubly bonded one. DFT calculations reveal that the substitution of cyclohexanone by a single methyl group does not affect the strength of the ketone-water interactions, while it has a significant impact on the solubility of water in the ketone. The most important conclusion from this study is that the accessibility of the carbonyl group is the most important factor determining the intermolecular interactions and solubility of water in aliphatic ketones.

8.
Int J Thermophys ; 44(7): 110, 2023.
Article in English | MEDLINE | ID: mdl-37305811

ABSTRACT

We compiled an experimental database for the surface tension of binary mixtures containing a wide variety of fluids, from the chemical classes (water, alcohols, amines, ketones, linear and branched alkanes, naphthenes, aromatics, refrigerants, and cryogens). The resulting data set includes 65 pure fluids and 154 binary pairs with a total of 8205 points. We used this database to test the performance of a parachor model for the surface tension of binary mixtures. The model uses published correlations to determine the parachors of the pure fluids. The model has a single, constant binary interaction parameter for each pair that was found by fitting experimental mixture data. It can be also used in a predictive mode when the interaction parameters are set to zero. We present detailed comparisons on the performance of the model for both cases. In general, the parachor model in a predictive mode without fitted interaction parameters can predict the surface tension of binary mixtures of non-polar mixtures such as linear and branched alkanes, linear and branched alkanes with naphthenes, aromatics with aromatics, aromatics with naphthenes, and mixtures of linear alkanes of similar sizes with an average absolute percentage deviation of about 3 % or less. Polar mixtures of halocarbons with other halocarbons and also polar/nonpolar mixtures of alkanes with halocarbons could be modeled with an average absolute deviation of less than 0.35 mN·m-1 with the use of a binary interaction parameter. The parachor model even with a fitted binary interaction parameter performs poorly for mixtures of water and organic compounds and is not recommended. Supplementary Information: The online version contains supplementary material available at 10.1007/s10765-023-03216-z.

9.
J Colloid Interface Sci ; 648: 46-55, 2023 Oct 15.
Article in English | MEDLINE | ID: mdl-37295369

ABSTRACT

Hypothesis Nonaqueous foams are found in a variety of applications, many of which contain volatile components that need to be removed during processing. Sparging air bubbles into the liquid can be used to aid in their removal, but the resulting foam can be stabilized or destabilized by several different mechanisms, the relative importance of which are not yet fully understood. Investigating the dynamics of thin film drainage, four competing mechanisms can be observed, such as solvent evaporation, film viscosification, and thermal and solutocapillary Marangoni flows. Experiments Experimental studies with isolated bubbles and/or bulk foams are needed to strengthen the fundamental knowledge of these systems. This paper presents interferometric measurements of the dynamic evolution of a film formed by a bubble rising to an air-liquid interface to shed light on this situation. Two different solvents with different degrees of volatility were investigated to reveal both qualitative and quantitative details on thin film drainage mechanisms in polymer-volatile mixtures. Findings Using interferometry, we found evidence that solvent evaporation and film viscosification both strongly influence the stability of interface. These findings were corroborated by comparison with bulk foam measurements, revealing a strong correlation between these two systems.

10.
J Mol Model ; 29(5): 151, 2023 Apr 21.
Article in English | MEDLINE | ID: mdl-37084111

ABSTRACT

CONTEXT: Hydrogen bonds play a vital role in the stability and functioning of biomolecules. Suitable binary liquids are often used as prototypes for the study of biologically significant hydrogen bond studies and their intricate networks. Often, such systems show deviations in their physico-chemical properties from ideal conditions. As a continuation of our research interest in biologically important hydrogen-bonded systems, this paper reports the classical molecular dynamic studies on mixtures of aniline with 8 primary alcohols (CRH2R+1-OH, R = 1 to 8) for the complete concentration range. The energetics results indicate the predominance of OH--O interactions over other hydrogen bonds. Structures in the network are analyzed using radial distribution function (RDF), hydrogen bond statistics, and graph theoretical analysis (GTA). Coordination numbers, hydrogen bond statistics, and GTA show a bunching of alcohol-alcohol hydrogen bonds for lower aniline concentrations, while the aniline-aniline interactions are not affected by changes in the concentration. METHODS: Interaction energies are calculated using B3LYP/6-311G++(d, p) density functional theory using Gaussian-09. The molecular dynamics simulations are carried out using GROMACS (V 2020.6) with the OPLS/AA force field and the simulation box is visualized using VMD. The NetworkX Python package is used for GTA calculation.

11.
Molecules ; 28(5)2023 Feb 28.
Article in English | MEDLINE | ID: mdl-36903522

ABSTRACT

Mixtures of anionic sodium oleate (NaOl) and nonionic ethoxylated or alkoxylated surfactants improve the selective separation of magnesite particles from mineral ores during the process of flotation. Apart from triggering the hydrophobicity of magnesite particles, these surfactant molecules adsorb to the air-liquid interface of flotation bubbles, changing the interfacial properties and thus affecting the flotation efficiency. The structure of adsorbed surfactants layers at the air-liquid interface depends on the adsorption kinetics of each surfactant and the reformation of intermolecular forces upon mixing. Up to now, researchers use surface tension measurements to understand the nature of intermolecular interactions in such binary surfactant mixtures. Aiming to adapt better to the dynamic character of flotation, the present work explores the interfacial rheology of NaOl mixtures with different nonionic surfactants to study the interfacial arrangement and viscoelastic properties of adsorbed surfactants under the application of shear forces. Interfacial shear viscosity results reveal the tendency on nonionic molecules to displace NaOl molecules from the interface. The critical nonionic surfactant concentration needed to complete NaOl displacement at the interface depends on the length of its hydrophilic part and on the geometry of its hydrophobic chain. The above indications are supported by surface tension isotherms.

12.
Bull Environ Contam Toxicol ; 110(3): 64, 2023 Mar 15.
Article in English | MEDLINE | ID: mdl-36920531

ABSTRACT

The ecotoxicity of metals is generally assessed individually, in part because current knowledge does not allow for the accurate prediction of the toxicity of metal mixtures to aquatic organisms. The objective of this study was to investigate the toxic effects of binary combinations of metal salts (copper sulphate-CuSO4, cadmium chloride-CdCl2, mercury chloride-HgCl2 and manganese sulphate-MnSO4) on the tropical ostracod Strandesia trispinosa through acute toxicity tests. To this end, ostracods were exposed to each individual metal salt as well as to their combinations by applying a full factorial design. The model that best explained the effects of the mixtures CuSO4 x CdCl2, CuSO4 x HgCl2 and CuSO4 x MnSO4 on the survival of S. trispinosa was Concentration Addition, whereas this was Independent Action for the CdCl2 x HgCl2 mixture. The observed synergistic interactions are likely to result in unacceptable risks to aquatic ecosystems under real field conditions. This is especially the case if CuSO4 predominates the metal mixture, as observed for its combination with mercury and manganese.


Subject(s)
Cadmium , Mercury , Animals , Ecosystem , Metals , Crustacea , Copper
13.
Int J Mol Sci ; 24(3)2023 Jan 23.
Article in English | MEDLINE | ID: mdl-36768597

ABSTRACT

The concentration dependence of the surface tension of several binary mixtures of non-electrolytes has been measured at 298.15 K. The mixtures have been chosen since they presented a so-called "W-shape" concentration dependence of the excess constant pressure heat capacity and high values of the concentration-concentration correlation function. This behavior was interpreted in terms of the existence of anomalously high concentration fluctuations that resemble those existing in the proximities of critical points. However, no liquid-liquid phase separation has been found in any of these mixtures over a wide temperature range. In this work, we have extended these studies to the liquid-air interfacial properties. The results show that the concentration dependence of the surface tension shows a plateau and the mixing surface tension presents a "W-shape" behavior. To the best of our knowledge, this is the first time that this behavior is reported. The weak anomalies of the surface tension near a liquid-liquid critical point suggest that the results obtained cannot be considered far-from-critical effects. The usual approach of substituting the activity by the concentration in the Gibbs equation for the relative surface concentration has been found to lead to large errors and the mixtures to have a fuzzy and thick liquid/vapor interface.


Subject(s)
Hot Temperature , Surface Tension
14.
Ann Pharm Fr ; 81(2): 258-266, 2023 Mar.
Article in English | MEDLINE | ID: mdl-36252866

ABSTRACT

Herein, the solubility study of clotrimazole was performed in a propylene glycol+water system. The solubility values were fitted to various cosolvency equations. The model accuracies were studied with the computation of the mean relative deviations. The thermodynamic behavior was investigated according to the van't Hoff and Gibbs equations for clotrimazole in the propylene glycol+water system. Furthermore, the density data for clotrimazole were determined in mixtures of propylene glycol+water and fitted to the Jouyban-Acree equation.


Subject(s)
Clotrimazole , Propylene Glycol , Solvents , Solubility , Temperature , Water , Thermodynamics
15.
J Mol Model ; 28(12): 382, 2022 Nov 07.
Article in English | MEDLINE | ID: mdl-36342552

ABSTRACT

Our previous studies on various hydrogen-bonded binary systems have shown anomalous physico-chemical properties at lower (10-30%) volume concentrations of either one or both of the components. In order to have a better understanding of this phenomenon, a systematic molecular dynamics study of binary mixtures of acetone with eight primary alcohols (R-OH, with R = 1 to 8) was undertaken. The structure of the binary systems is studied using radial distribution function, hydrogen bond statistics, and graph theoretical approach. Two distinct features are observed. Firstly, the bunching of R = (1, 2), R = (3, 4, 6), and R = (5, 7, 8)-acetone mixture in their hydrogen bond characteristics. Secondly, the number of alcohol-acetone hydrogen bonds is more for R = (3, 4, 6) and the alcohol-alcohol hydrogen bonds for the rest, indicating a preferential bonding of R = (3, 4, 6) alcohols with acetone when compared to the rest. With an increase in acetone concentration, the average degree of association decreases for all systems, showing an overall decrease in hydrogen bond multimer structures. The hydrogen bond networks are visualized using graph theory.

16.
Int J Mol Sci ; 23(17)2022 Aug 29.
Article in English | MEDLINE | ID: mdl-36077212

ABSTRACT

In this paper, we thoroughly investigated the physical stability of the anti-inflammatory drug etoricoxib, which has been reported earlier to be resistant to recrystallization in its glassy and supercooled states at ambient pressure. Our unique application of the standard refractometry technique showed that the supercooled liquid of the drug was able to recrystallize during isothermal experiments in atmospheric conditions. This enabled us to determine the crystallization onset timescale and nucleation energy barrier of etoricoxib for the first time. As the physical instability of etoricoxib requires working out an efficient method for improving the drug's resistance to recrystallization to maintain its amorphous form utility in potential pharmaceutical applications, we focused on finding a solution to this problem, and successfully achieved this purpose by preparing binary mixtures of etoricoxib with octaacetylmaltose. Our detailed thermal, refractometry, and molecular dynamics studies of the binary compositions near the glass transition revealed a peculiar behavior of the glass transition temperatures when changing the acetylated disaccharide concentration in the mixtures. Consequently, the anti-plasticization effect on the enhancement of physical stability could be excluded, and a key role for specific interactions in the improved resistance to recrystallization was expected. Invoking our previous results obtained for etoricoxib, the chemically similar drug celecoxib, and octaacetylmaltose, we formulated a hypothesis about the molecular mechanisms that may cause an impediment to crystal nuclei formation in the amorphous mixtures of etoricoxib with octaacetylmaltose. The most plausible scenario may rely on the formation of hydrogen-bonded heterodimers of the drug and excipient molecules, and the related drop in the population of the etoricoxib homodimers, which disables the nucleation. Nevertheless, this hypothesis requires further investigation. Additionally, we tested some widely discussed correlations between molecular mobility and crystallization properties, which turned out to be only partially satisfied for the examined mixtures. Our findings constitute not only a warning against manufacturing the amorphous form of pure etoricoxib, but also evidence for a promising outcome for the pharmaceutical application of the amorphous compositions with octaacetylmaltose.


Subject(s)
Molecular Dynamics Simulation , Vitrification , Calorimetry, Differential Scanning , Drug Stability , Etoricoxib , Excipients/chemistry
17.
J Fluoresc ; 32(6): 2023-2052, 2022 Nov.
Article in English | MEDLINE | ID: mdl-35829843

ABSTRACT

Carbazole is a unique template associated with several biological activities. It is due to the diverse and versatile biological properties of carbazole derivatives that they are of immense interest to the research community. 1-keto-1,2,3,4-tetrahydrocarbazoles are important synthetic intermediates to obtain carbazole derivatives. Several members of this family emit fluorescence on photoexcitation. In the context of biochemical and biophysical research, designing and characterising small molecule environment sensitive fluorophores is extremely significant. This article aims to be a state of the art review with synthetic and photophysical details of a variety of fluorophores based on 1-keto-1,2,3,4-tetrahydrocarbazole skeleton.


Subject(s)
Carbazoles , Fluorescent Dyes , Carbazoles/chemistry , Fluorescent Dyes/chemistry
18.
Int J Pharm ; 624: 122025, 2022 Aug 25.
Article in English | MEDLINE | ID: mdl-35850185

ABSTRACT

Modified oligosaccharides with cyclic topology seem to be promising excipients for the preparation of Amorphous Solid Dispersions (ASDs), especially with those Active Pharmaceutical Ingredients (APIs), which have a strong crystallization tendency from the amorphous/glassy state. Herein, the usefulness of two acetylated cyclodextrins (ac-α-CD and ac-ß-CD) with various molecular weights (Mw) as stabilizers for the supercooled metronidazole (Met) has been discussed. X-ray diffraction (XRD) studies carried out on Met-acCDs mixtures (prepared in molar ratios from 1:2 to 5:1) showed that the system with ac-α-CD containing the highest amount of API (5:1 m/m) crystallizes immediately after preparation, whereas all Met-ac-ß-CD ASDs remain stable. What is more, long-term XRD measurements confirmed that the Met-ac-α-CD 2:1 m/m system crystallizes after 100 days of storage in contrast to the same system containing ac-ß-CD. The non-isothermal calorimetric data revealed that the activation barrier for crystallization (Ecr) in ASDs with the oligosaccharide having a greater Mw (i.e., composed of seven acGLU molecules) is slightly higher. Finally, to explain the differences in behavior between the mixtures with both acCDs, infrared studies, DFT calculations and Molecular Dynamics simulations were performed. All methods excluded the scenario of API incorporation inside the acCDs' core. On the other hand, obtained results suggested that in comparison to ac-α-CD, the greater amount of Met molecules might be bounded on the outside surface of ac-ß-CD. Therefore, this modified saccharide is a better stabilizer of the examined API.


Subject(s)
Cyclodextrins , Metronidazole , Calorimetry, Differential Scanning , Crystallization/methods , Drug Stability , Excipients/chemistry , Solubility , X-Ray Diffraction
19.
Antioxidants (Basel) ; 11(6)2022 Jun 13.
Article in English | MEDLINE | ID: mdl-35740054

ABSTRACT

This study tackles the individual and joint effect of alpha-tocopherol and hydroxytyrosol acetate on the oxidation of sunflower oil submitted to accelerated storage conditions at intermediate temperature, in order to deepen the understanding of antioxidant-prooxidant behaviour. This was accomplished by 1H Nuclear Magnetic Resonance. For this purpose, the evolution of the degradation of both the main components of the oil and the aforementioned added compounds was monitored by this technique throughout the storage time. Furthermore, the formation of a very large number of oxylipins and the evolution of their concentration up to a very advanced stage of oil oxidation, as well as the occurrence of lipolysis, were also simultaneously studied. The results obtained show very clearly and thoroughly that in the oxidation process of the oil enriched in binary mixtures, interactions occur between alpha-tocopherol and hydroxytyrosol acetate that notably reduce the antioxidant effect of the latter compound with the corresponding negative consequences that this entails. The methodology used here has proved to be very efficient to evaluate the antioxidant power of mixtures of compounds.

20.
Appl Spectrosc ; 76(10): 1206-1215, 2022 Oct.
Article in English | MEDLINE | ID: mdl-35712869

ABSTRACT

Multicomponent lipid bilayers are used as models for searching the origin of spatial heterogeneities in biomembranes called lipid rafts, implying the coexistence of domains of different phases and compositions within the lipid bilayer. The spatial organization of multicomponent lipid bilayers on a scale of a hundred nanometers remains unknown. Brillouin spectroscopy providing information about the acoustic phonons with the wavelength of several hundred nanometers has an unexplored potential for this problem. Here, we applied Brillouin spectroscopy for three binary bilayers composed of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC), 1,2-palmitoyl-sn-glycero-3-phosphocholine (DPPC), and cholesterol. The Brillouin experiment for the oriented planar multibilayers was realized for two scattering geometries involving phonons for the lateral and normal directions of the propagation. The DPPC-DOPC mixtures known for the coexistence of the solid-ordered and liquid-disordered phases had bimodal Brillouin peaks, revealing the phase domains with sizes more than a hundred nanometers. Analysis of the Brillouin data for the binary mixtures concluded that the lateral phonons are preferable for testing the lateral homogeneity of the bilayers, while the phonons spreading across the bilayers are sensitive to the layered packing at the mesoscopic scale.


Subject(s)
Lipid Bilayers , Phospholipids , Cholesterol/chemistry , Lipid Bilayers/chemistry , Phosphatidylcholines/chemistry , Phospholipids/chemistry , Phosphorylcholine , Spectrum Analysis
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