Investigation of the solubility and thermodynamics of salicylic acid in 2-propanol and ethylene glycol/propylene glycol binary solvent mixtures at (293.15 to 313.15) K.

This study aimed to measure both the solubility and thermodynamics of salicylic acid in binary solvent mixtures of (2-propanol + ethylene glycol) and (2-propanol + propylene glycol) at different temperatures in the range of 293.2-313.2 K. The experimental solubility data were analyzed using various linear and nonlinear cosolvency models, such as the van'tt Hoff, Jouyban-Acree, Jouyban-Acree-van'tt Hoff, mixture response surface and modified Wilson models and to evaluate the models, the mean relative deviations of the back-calculated solubility data were compared with experimental values. Through this analysis, the apparent thermodynamic parameters, including Gibbs energy, enthalpy, and entropy were calculated using the van'tt Hoff and Gibbs equations for this system. Additionally, the density values for salicylic acid saturated mixtures were also measured and represent mathematically using the Jouyban-Acree model.

Colorimetric sensor array for versatile detection and discrimination of model analytes with environmental relevance.

In the current work, a rapid, simple, low-cost, and sensitive smartphone-based colorimetric sensor array coupled with pattern-recognition methods was proposed for the determination and differentiation of some organic and inorganic bases (i.e., OH-, CO32-, PO43-, NH3, ClO-, diethanolamine, triethanolamine) as model compounds. The sensing system has been designed based on color-sensitive dyes (Fuchsine, Giemsa, Thionine, and CoCl2) which were used as sensor elements. The color changes of a sensor array were observed by the naked eye. The color patterns were recorded using digital imaging in a three-dimensional (red, green, and blue) space and quantitatively analyzed with color calibration techniques. Distinctive colorimetric patterns for target bases via linear discriminant analysis (LDA) and hierarchical clustering analysis (HCA) were observed. The results indicated that the analytes related to each class (at the different concentration levels in the range of 0.001-1.0 mol L-1) were clustered together in the canonical discriminant plot and HCA dendrogram with high sensitivity and an overall precision of 85%. Furthermore, the first function factor of LDA correlated with the concentration of each target analyte in a correlation coefficient (R2) range of 0.864-0.996. These described procedures based on the colorimetric sensor array technique could be a promising candidate for practical applications in package technology and facile detection of pollutants.

Solubility and thermodynamics of mesalazine in aqueous mixtures of poly ethylene glycol 200/600 at 293.2-313.2K.

In this study, the solubility of mesalazine was investigated in binary solvent mixtures of poly ethylene glycols 200/600 and water at temperatures ranging from 293.2K to 313.2K. The solubility of mesalazine was determined using a shake-flask method, and its concentrations were measured using a UV-Vis spectrophotometer. The obtained solubility data were analyzed using mathematical models including the van't Hoff, Jouyban-Acree, Jouyban-Acree-van't Hoff, mixture response surface, and modified Wilson models. The experimental data obtained for mesalazine dissolution encompassed various thermodynamic properties, including ΔG°, ΔH°, ΔS°, and TΔS°. These properties offer valuable insights into the energetic aspects of the dissolution process and were calculated based on the van't Hoff equation.

Establishing research impact assessment in Iran: The first report from a non-high-income country.

Background: This study presents the first report on research impact assessment (RIA) in non-high-income countries, undertaken as a pilot initiative in 2021. Within it, we aimed to explore the feasibility of employing the 'payback' model for evaluating the impact of health research and enhancing the accountability of universities. We focussed on three key impact domains: 'production of decision support documents and knowledge-based products,' 'implementation of research results,' and 'health and economic impact.' Methods: We adopted a case study approach to assess the impact of 5334 health research projects conducted by researchers from 18 universities from 2018 to 2020. Researchers were required to submit evidence related to at least one of the specified impact domains; six scientific committees verified and scored claimed impacts at the national level. Results: Only 25% of the assessed projects achieved impact in at least one domain, with the production of decision support documents and knowledge products being the most reported impact. Notably, economic impact was verified in only three projects, indicating room for improvement in this area. Technology research exhibited the highest acceptance rate of claimed impact, suggesting a positive correlation between technology-focused projects and impactful outcomes. Conclusions: This study demonstrates the feasibility of employing a case study approach and the 'payback' model to evaluate the impact of health research, even within the constraints of a moderately equipped research infrastructure. These findings underscore the potential of integrating RIA into the governance of health research in Iran and other non-high-income countries, as well as the importance of using RIA to assess the accountability of health research systems, guide the allocation of research funding, and advocate for the advancement of health research. The study sets a precedent for future assessments in similar contexts and contributes to the ongoing global dialogue on the societal impact of health research.

Recent advancements in the specific determination of carcinoembryonic antigens using MOF-based immunosensors.

Carcinoembryonic antigens (CEAs) are prominent cancer biomarkers that enable the early detection of numerous cancers. For effective CEA screening, rapid, portable, efficient, and sensitive diagnosis approaches should be devised. Metal-organic frameworks (MOFs) are porous crystalline materials that have received major attention for application in high-efficiency signal probes owing to their advantages such as large specific surface area, superior chemical stability and tunability, high porosity, easy surface functional modification, and adjustable size and morphology. Immunoassay strategies using antigen-antibody specific interaction are one of the imperative means for rapid and accurate measurement of target molecules in biochemical fields. The emerging MOFs and their nanocomposites are synthesized with excellent features, providing promising potential for immunoassays. This article outlines the recent breakthroughs in the synthesis approaches of MOFs and overall functionalization mechanisms of MOFs with antigen/antibody and their uses in the CEA immunoassays, which operate according to electrochemical, electrochemiluminescent and colorimetric techniques. The prospects and limitations of the preparation and immunoassay applications of MOF-derived hybrid nanocomposites are also discussed at the end.

Thermodynamic investigation on the aqueous mixtures of choline chloride/propylene glycol deep eutectic solvent at T = (293.15 to 313.15) K.

This work focuses on physicochemical features of the choline chloride/propylene glycol deep eutectic solvent (DES) + water mixtures by determining their density values in mono- and mixed- states over various temperatures in the range of 293.15-318.15 K. The density data obtained from measurements were utilized for the computation of various quantities such as excess molar volumes, molar volume, apparent molar volume, limiting apparent molar expansibility, and isobaric thermal expansion coefficient. Furthermore, the experimental densities were fitted to some mathematical equations such as Jouyban-Acree, Jouyban-Acreevan't Hoff, modified Jouyban-Acree-van't Hoff, Redlich-Kister and Emmerling. Studies of this nature can provide useful insights into solute-solvent interactions in aqueous solutions of DES, especially about to their novel application in drug solubilization.

Favipiravir, remdesivir, and lopinavir: metabolites, degradation products and their analytical methods.

Severe acute respiratory syndrome 2 (SARS-CoV-2) caused the emergence of the COVID-19 pandemic all over the world. Several studies have suggested that antiviral drugs such as favipiravir (FAV), remdesivir (RDV), and lopinavir (LPV) may potentially prevent the spread of the virus in the host cells and person-to-person transmission. Simultaneously with the widespread use of these drugs, their stability and action mechanism studies have also attracted the attention of many researchers. This review focuses on the action mechanism, metabolites and degradation products of these antiviral drugs (FAV, RDV and LPV) and demonstrates various methods for their quantification and discrimination in the different biological samples. Herein, the instrumental methods for analysis of the main form of drugs or their metabolite and degradation products are classified into two types: optical and chromatography methods which the last one in combination with various detectors provides a powerful method for routine and stability analyses. Some representative studies are reported in this review and the details of them are carefully explained. It is hoped that this review will be a good guideline study and provide a better understanding of these drugs from the aspects investigated in this study.

Digital image colorimetry for determination of ethanol in exhaled breath condensate.

Aim: This study aimed to develop a colorimetric approach for quantifying ethanol using smartphone image analysis. Method: This research presents a straightforward smartphone-based colorimetric sensor that efficiently measures ethanol levels in exhaled breath condensate (EBC) samples. The process involved changing the acidic dichromate color in an ethanolic solution, followed by image analysis. Results: The results showed that this method was able to estimate ethanol concentrations in the range of 300-1500 and 1600-8000 µg ml-1 in EBC. Conclusion: This study was a follow-up study on the previous work published for the determination of ethanol in EBC samples and highlights the potential benefits of using digital images and smartphone applications for ethanol determination in biological samples.

Solubility of mesalazine in pseudo-binary mixtures of choline chloride/ethylene glycol deep eutectic solvent and water at 293.15 K to 313.15 K.

Mesalazine (5-ASA) is a medication utilized to treat inflammatory bowel diseases involving ulcerative colitis and Crohn's disease. Mesalazine has fewer side effects but the low solubility and bioavailability of it is responsible for its delayed onset of action. Hence, the goal of this study is to determine the molar solubility of 5-ASA in aqueous pseudo-binary mixtures containing low toxic biocompatible choline chloride/ethylene glycol deep eutectic solvent (ChCl/EG DES) with DES mass fraction of 0.0-1.0 using a shake-flask technique at 293.2-313.2 K and approximately 85 kPa. The experimental results indicated that the solubility of 5-ASA enhanced by addition of DES mass fraction and also increasing temperature. The molarity values of 5-ASA were then modelled by some traditional cosolvency models, and regressed each model parameters. The back-computed molarity of 5-ASA using the selected cosolvency models presented a good consistency with the experimental data (lower mean percentage deviation than 5.14%). Moreover, the Gibbs and van't Hoff equations were employed to compute the thermodynamic functions of 5-ASA dissolution process in ChCl/EG DES + water from the temperature dependency of solubility data. This analysis presented an endothermic and entropy-driven process of 5-ASA dissolution in ChCl/EG DES + water. Furthermore, enthalpy-entropy compensation analysis represented non-linear enthalpy dissolution vs. Gibbs free energy compensation plots with positive and negative slopes for 5-ASA whereas the positive and negative slopes were probably due to the enhance in solvation of 5-ASA by ChCl/EG DES molecules and the solvent-structure loosing, respectively.

Comparative Drug Solubility Studies Using Shake-Flask Versus a Laser-Based Robotic Method.

Drug solubility is of central importance to the pharmaceutical sciences, but reported values often show discrepancies. Various factors have been discussed in the literature to account for such differences, but the influence of manual testing in comparison to a robotic system has not been studied adequately before. In this study, four expert researchers were asked to measure the solubility of four drugs with various solubility behaviors (i.e., paracetamol, mesalazine, lamotrigine, and ketoconazole) in the same laboratory with the same instruments, method, and material sources and repeated their measurements after a time interval. In addition, the same solubility data were determined using an automated laser-based setup. The results suggest that manual testing leads to a handling influence on measured solubility values, and the results were discussed in more detail as compared to the automated laser-based system. Within the framework of unavoidable uncertainties of solubility testing, it is a possibility to combine minimal experimental testing that is preferably automated with mathematical modeling. That is a practical suggestion to support future pharmaceutical development in a more efficient way.

Utilizing a nanocomposite aerogel grafted with Fe3O4@GO for the extraction and determination of metoprolol in exhaled breath condensate.

This article presents a solid-phase extraction method combined with a spectrofluorometric method for the extraction/pre-concentration and determination of metoprolol (MET) in exhaled breath condensate. The extraction sorbent is an agarose aerogel nanocomposite grafted with graphene oxide (GO) Fe3O4. The size and morphology of the nanosorbent were characterized via X-ray crystallography, scanning electron microscopy, Fourier-transform infrared spectrometry, and Brunauer-Emmett-Teller analysis. Factors affecting the extraction/determination of MET were optimized using the one-at-a-time method. Under optimized experimental conditions, the calibration graph was linear in the range of 0.005 to 2.0 µg mL-1 with a detection limit of 0.001 µg mL-1. The method was successfully applied for the determination of MET in biological samples taken from patients receiving MET.

Online preconcentration and chiral separation of ofloxacin in exhaled breath condensate by capillary electrophoresis.

Breath analysis is an effective method of monitoring systemic or respiratory ailments. A simple chiral capillary electrophoresis method coupled with an online field-amplified sample injection stacking method is presented for ultratrace quantification of the enantiomers of ofloxacin in exhaled breath condensate (EBC). The study is focused on the use of EBC as an easily available biological sample to monitor ofloxacin's enantiomers levels with good patient compliance. The proposed method was validated in accordance with FDA guidelines over the concentration range of 0.004-1.0 µg mL-1 of racemic ofloxacin. Inter- and intra-day precision and accuracy were within the acceptable limit (below 8.50 %). The method was specific for routine analysis of ofloxacin's enantiomers. A small volume of EBC samples from seven patients under ofloxacin therapy was analyzed using the proposed method in which the concentrations of "R" and "S" enantiomers were between 0.0026 and 0.056 µg mL-1.

Measurement and correlation of solubility data for deferiprone in propylene glycol and 2-propanol at different temperatures.

This investigation dealt with the thermodynamic properties, saturated solubility values, and solvation behavior of deferiprone as an oral iron chelator agent in non-aqueous mixtures of propylene glycol and 2-propanol using experimental measurements and mathematical correlations. The solubility of deferiprone demonstrated a positive correlation with both temperature and propylene glycol mass fraction. Four mathematical models were employed to correlate the solid-liquid equilibrium data, and the low mean relative deviation values of less than 3.6% illustrate the good agreement of computed data with the experimental data. The apparent thermodynamic behavior of deferiprone dissolution was also investigated according to van't Hoff and Gibbs equation.

A smartphone digital image colorimetric method based on nanoparticles for determination of lamotrigine.

Aim: A colorimetric approach for quantification of lamotrigine using spectrophotometric and smartphone image analysis is described in this study. Methods: For full optimization and validation procedures, UV-visible spectroscopy was used, and image analysis was carried out with the help of an app (PhotoMetrix PRO®). Then, as a multivariate calibration method, parallel factor analysis was used for data analysis. Results: The results demonstrated the capacity of these methods to estimate lamotrigine concentrations in the range of 0.1-7.0 µg.ml-1 in exhaled breath condensate, indicating the value of using digital images and smartphone applications in combination with chemometric tools. Conclusion: The image analysis can be superior for its fast and reliable lamotrigine analysis in biological samples.

A new method for investigating bioequivalence of inhaled formulations: A pilot study on salbutamol.

Purpose: An efficient, cost-effective and non-invasive test is required to overcome the challenges faced in the process of bioequivalence (BE) studies of various orally inhaled drug formulations. Two different types of pressurized meter dose inhalers (MDI-1 and MDI-2) were used in this study to test the practical applicability of a previously proposed hypothesis on the BE of inhaled salbutamol formulations. Methods: Salbutamol concentration profiles of the exhaled breath condensate (EBC) samples collected from volunteers receiving two inhaled formulations were compared employing BE criteria. In addition, the aerodynamic particle size distribution of the inhalers was determined by employing next generation impactor. Salbutamol concentrations in the samples were determined using liquid and gas chromatographic methods. Results: The MDI-1 inhaler induced slightly higher EBC concentrations of salbutamol when compared with MDI-2. The geometric MDI-2/MDI-1 mean ratios (confidence intervals) were 0.937 (0.721-1.22) for maximum concentration and 0.841 (0.592-1.20) for area under the EBC-time profile, indicating a lack of BE between the two formulations. In agreement with the in vivo data, the in vitro data indicated that the fine particle dose (FPD) of MDI-1 was slightly higher than that for the MDI-2 formulation. However, the FPD differences between the two formulations were not statistically significant. Conclusion: EBC data of the present work may be considered as a reliable source for assessment of the BE studies of orally inhaled drug formulations. However, more detailed investigations employing larger sample sizes and more formulations are required to provide more evidence for the proposed method of BE assay.

Solubility and thermodynamic study of deferiprone in propylene glycol and ethanol mixture.

This work aims to obtain the solubility, density and thermodynamic parameters of deferiprone in propylene glycol and ethanol. For this purpose, a shake-flask technique was applied for solid-liquid equilibration and the spectrophotometry method was employed for solubility measurement. Solubility and density of deferiprone in non-aqueous mixtures of propylene glycol and ethanol were measured in the temperatures 293.2-313.2 K. Some equations including van't Hoff, the Jouyban-Acree, the Jouyban-Acree-van't Hoff, the mixture response surface and modified Wilson equations were used for the mathematical data modeling. The apparent thermodynamic parameters of the deferiprone dissolution process were computed and reported.

Efficient dispersive solid-phase extraction of methylprednisolone from exhaled breath of COVID-19 patients.

In the current study, bismuth ferrite nano-sorbent was synthesized and utilized as a sorbent for the dispersive solid-phase extraction of methylprednisolone from exhaled breath samples. The size and morphology of the nano-sorbent were characterized by X-ray diffraction analysis and scanning electron microscopy. Following its desorption with acetonitrile, methylprednisolone was quantified by a high-performance liquid chromatography-ultraviolet detector. Factors affecting the extraction of methylprednisolone were optimized. Under optimized experimental conditions, a linear relationship between the analytical signals and methylprednisolone concentration was obtained in the range of 0.001-0.2 µg mL-1 for exhaled breath condensate samples and 0.002-0.4 µg per filter for filter samples. A pre-concentration factor of 6.4-fold, corresponding to an extraction recovery of 96.0%, was achieved. The validated method was applied for the determination of methylprednisolone in real samples taken from the exhaled breath of COVID-19 patients under mechanical ventilation.

A follow-up study on "A sensitive determination of morphine in plasma using AuNPs@UiO-66/PVA hydrogel as an advanced optical scaffold".

A double solvent-assisted approach was developed for the preparation of AuNPs@UiO-66 based polyvinyl alcohol hydrogel nanocomposite and evaluated its potential as a nanoprobe for the determination of morphine. The characterization and morphology of the synthesized platform were studied and performance comparison for morphine determination was done between the synthesized scaffold and the reported one in our previous work and discussed in detail. Due to the encapsulation of AuNPs inside UiO-66 in a double solvent-assisted approach, no energy transfer was performed with UiO-66 and finally, morphine could not bind with AuNPs. Given these values, such a hydrogel-based matrix prepared with different methodologies with the same thermal stability demonstrates dissimilar potential toward morphine determination in biological samples.

Propofol-induced in-situ formation of silver nanoparticles: A sensing colorimetric method.

A simple and eco-friendly colorimetric sensing method has been developed for the extremely effective detection of propofol in exhaled breath condensate (EBC). In this study, we put forward a Tollens' procedure, in which silver nanoparticles (AgNPs) were produced using propofol as a reducing agent. To verify the in-situ synthesis of AgNPs, the TEM images, and UV-Vis absorbance were recorded in the absence and presence of propofol. The solution turned from a colorless to yellow and deep yellow color due to the surface plasmon resonance absorption band of formed AgNPs. The intensity of nanoparticle absorbance was quantitatively correlated with the propofol concentration. The proposed sensor revealed good linearity over the range of 0.01-0.8 µg mL-1 at 422 nm with the detection limit of 8.8 ng mL-1 under optimum conditions. Finally, the proposed colorimetric sensor was successfully used for the determination of propofol in the EBC sample of patients receiving propofol.

Dual-emission ratiometric fluorescent probe based on N-doped CQDs@UiO-66/PVA nanocomposite hydrogel for quantification of pethidine in human plasma.

A synchronous fluorescence spectroscopy (SFS) sensor for pethidine detection is described based on UiO-66 metal-organic frameworks (MOFs) modified with N-doped carbon quantum dots (N-CQDs) embedded in hydrogel nanocomposites. Benefitting from the inovative  design of the doping method in the carbonaceous structure, N-CQDs were successfully deposited in the pores of the UiO-66 network. Then, N-CQDs were employed as a sensitive segment toward the target molecules. UiO-66 was used for sensitive and selective sensing of the bonding interactions between N-CQDs and pethidine so that the electron transfer process from UiO-66 to the pethidine-N-CQD complex results in quenching the SFS intensity of UiO-66. To embed the stable and suitable sensing interface for pethidine assessment, the designed nanomaterial was inserted into the hydrogel network. This nanocomposite hydrogel showed two well-resolved emission peaks at 300 nm and 350 nm under ∆λ = 70, which corresponded to N-CQDs and UiO-66, respectively. The SFS sensing platform was employed for ratiometric detection of pethidine with a low limit of detection of 0.002 µg mL-1 over a wide concentration range from 0.005 to 1.0 µg mL-1. The accurate monitoring of pethidine with a good recovery of 90.8-101.5% indicated their independency from matrix effects for pethidine detection in human plasma being a complicated biological matrix. Scheme 1. General procedure for synthesizing N-CQDs@UiO-66/PVA hydrogel-based nanoprobe and its application for pethidine determination.