The complexities of non-target effects of registered pesticides on biocontrol agents (BCAs) hinder the optimization of integrated pest management programs in agriculture. The wealth of literature on BCA-pesticide compatibility allows for the investigation of factors influencing BCA susceptibility and the generalized impacts of different pesticides. We conducted a meta-analysis using 2088 observations from 122 published articles to assess non-target effects on two phytoseiid species (Neoseiulus californicus and Phytoseiulus persimilis), a parasitoid (Encarsia formosa), and two microbial BCAs (Trichoderma harzianum and Metarhizium anisopliae). We explored the contributions of bioassay factors (exposure duration, temperature, test methods, mode of actions (MOA), and type of pesticide), and simulated effects of compatibility on target pests. MOA groups 21 and 6 were the most harmful to predatory mites and E. formosa, increasing mortality during pesticide-BCA compatibility. Exposure duration, temperature, and test methods were identified as the most influential factors increasing mortality in phytoseiids during pesticide exposure. Insecticides and fungicides were the most represented and harmful groups to BCAs. Although most bioassays were conducted at room temperature, temperatures between 21 and 22 °C were the most harmful to phytoseiids and E. formosa during toxicity assays. Exposure durations of 1-3 days (54-85 %) for predators/parasitoids and 1-5 days (>50 %) for microbial BCAs highlight the lack of data on long-term impacts. In assessing pesticide impacts on target pests, pesticides with compatible concentrations above mean LC50 values were more effective. This study not only identified compatibility trends but also highlighted factors responsible for discrepancies in results and knowledge gaps that need to be addressed.

• Klíčová slova
• Biocontrol agents, Compatibility, Neoseiulus californicus, Pesticides, Phytoseiulus persimilis, Trichoderma,
• MeSH
• biologická kontrola škůdců metody   MeSH
• biologická ochrana farmakologie   MeSH
• insekticidy farmakologie   MeSH
• Metarhizium účinky léků   MeSH
• pesticidy * farmakologie   toxicita   MeSH
• roztoči účinky léků   MeSH
• zvířata MeSH
• Check Tag
• zvířata MeSH
• Publikační typ
• časopisecké články MeSH
• metaanalýza MeSH
• přehledy MeSH
• Názvy látek
• biologická ochrana MeSH
• insekticidy MeSH
• pesticidy * MeSH

Significant attention has been paid to combustion engines for the utilization of new liquid fuels and their testing at the present. Research activities in ensuring the optimum function of the engine by watching sealing and distribution rubber elements, which are part of fuel systems, should be an integral part of fuels research. When evaluating fuels utilization in combustion engines, the issue has to be judged in a complex. However, when using biofuels in combustion engines, it is not always simple owing to the different degradation properties of these products. Elastomer material is not entirely resistant to various types of fuels. More or less, it is possible to expect changes in its mechanical properties. For the evaluation of the functionality of elastomer sealing elements based on ACM, HNBR and FVMQ type O-rings with pure and blended fuels, the evaluation of changes in mass, hardness Shore A, permanent deformation CS, tensile strength TS and deformation Eb after immersion with the tested fuel is mainly used. Permanent changes were found by the tests. The degradation of elastomer O-rings was more pronounced for the tested fuels containing ethanol, iso-butanol, n-butanol, methanol and dodecanol. HVO 100 fuel containing hydrotreated vegetable oil did not show significant degradation of elastomer O-ring seals. Of the O-rings tested, the FVMQ type O-rings showed the best performance in terms of material compatibility for all fuels tested.

• Klíčová slova
• O-ring, compatibility, degradation, elastomer seals, fuel, life cycle assessment, polymer application,
• Publikační typ
• časopisecké články MeSH

To identify possible interactions of components in dosage forms, studies are usually carried out at the stage of pharmaceutical development. Such studies can predict compatibility of active pharmaceutical ingredients and excipients in order to optimize drug formulation and certain parameters of technological process. Compatibility of some components of a newly developed neuroprotective medicinal product Neuronucleos, namely, thioctic acid, pyridoxine hydrochloride, magnesium stearate and magnesium lactate, was studied by means of differential scanning calorimetry (DSC) and Fourier-transform infrared spectroscopy (FTIR). No interactions were observed between thioctic acid and pyridoxine hydrochloride. Formation of an intermolecular complex between thioctic acid and magnesium stearate was established, in which this acid substitutes the crystalline water of magnesium stearate. No significant interactions were found for magnesium lactate with thioctic acid or magnesium stearate. Thus, pharmaceutical compatibility of the most of the tested Neuronucleos components was studied and established, with the only exception (thioctic acid with magnesium stearate). Moreover, the present study provides valuable information about thermal effects in a certain temperature range, which is important for setting the technological process parameters.

• Klíčová slova
• IR-spectroscopy, differential scanning calorimetry, magnesium stearate, pharmaceutical compatibility, pyridoxine hydrochloride, thioctic acid,
• MeSH
• kyselina lipoová chemie   MeSH
• kyseliny stearové chemie   MeSH
• pomocné látky MeSH
• pyridoxin chemie   MeSH
• sloučeniny hořčíku chemie   MeSH
• Publikační typ
• časopisecké články MeSH
• Názvy látek
• kyselina lipoová MeSH
• kyseliny stearové MeSH
• pomocné látky MeSH
• pyridoxin MeSH
• sloučeniny hořčíku MeSH
• stearic acid MeSH Prohlížeč

The quantum mechanics-aided COSMO-SAC activity coefficient model is applied and systematically examined for predicting the thermodynamic compatibility of drugs and polymers. The drug-polymer compatibility is a key aspect in the rational selection of optimal polymeric carriers for pharmaceutical amorphous solid dispersions (ASD) that enhance drug bioavailability. The drug-polymer compatibility is evaluated in terms of both solubility and miscibility, calculated using standard thermodynamic equilibrium relations based on the activity coefficients predicted by COSMO-SAC. As inherent to COSMO-SAC, our approach relies only on quantum-mechanically derived σ-profiles of the considered molecular species and involves no parameter fitting to experimental data. All σ-profiles used were determined in this work, with those of the polymers being derived from their shorter oligomers by replicating the properties of their central monomer unit(s). Quantitatively, COSMO-SAC achieved an overall average absolute deviation of 13% in weight fraction drug solubility predictions compared to experimental data. Qualitatively, COSMO-SAC correctly categorized different polymer types in terms of their compatibility with drugs and provided meaningful estimations of the amorphous-amorphous phase separation. Furthermore, we analyzed the sensitivity of the COSMO-SAC results for ASD to different model configurations and σ-profiles of polymers. In general, while the free volume and dispersion terms exerted a limited effect on predictions, the structures of oligomers used to produce σ-profiles of polymers appeared to be more important, especially in the case of strongly interacting polymers. Explanations for these observations are provided. COSMO-SAC proved to be an efficient method for compatibility prediction and polymer screening in ASD, particularly in terms of its performance-cost ratio, as it relies only on first-principles calculations for the considered molecular species. The open-source nature of both COSMO-SAC and the Python-based tool COSMOPharm, developed in this work for predicting the API-polymer thermodynamic compatibility, invites interested readers to explore and utilize this method for further research or assistance in the design of pharmaceutical formulations.

• Klíčová slova
• COSMO-SAC, amorphous solid dispersions (ASD), drug−polymer thermodynamic compatibility, miscibility, prediction, quantum mechanics, solubility,
• MeSH
• farmaceutická chemie metody   MeSH
• léčivé přípravky chemie   MeSH
• nosiče léků chemie   MeSH
• polymery * chemie   MeSH
• rozpustnost * MeSH
• termodynamika * MeSH
• Publikační typ
• časopisecké články MeSH
• Názvy látek
• léčivé přípravky MeSH
• nosiče léků MeSH
• polymery * MeSH

One of the most fundamental, although controversial, questions related to the evolution of plant mating systems is the distribution of outcrossing rates. Self-compatibility, and especially autonomous self-pollination, can become particularly beneficial in anthropogenically degraded habitats with impoverished pollinator assemblages and increased pollen limitation. In a hand-pollination experiment with 46 meadow plants from the Železné hory Mts., Czech Republic, we evaluated the species' ability to adopt different mating systems. For a subset of the species, we also tested seed germination for inbreeding depression. Subsequently, we analysed relationships between the species' mating systems and 12 floral and life-history traits. We found a relatively discrete distribution of the studied species into four groups. Fully and partially self-incompatible species formed the largest group, followed by self-compatible non-selfers and mixed mating species. The germination experiment showed an absence of inbreeding depression in 19 out of 22 examined species. Nectar sugar per flower, nectar sugar per shoot and dichogamy were significant associated with the mating system. Spontaneous selfing ability and self-incompatibility in species of the meadow communities had a discrete distribution, conforming to the general distribution of mating and breeding systems in angiosperms. The low frequency of spontaneous selfers and the lack of inbreeding depression at germination suggest the existence of a selection against selfing at the later ontogenetic stages. Some floral traits, such as the level of dichogamy and amount of nectar reward, may strongly impact the balance between selfing and outcrossing rates in the self-compatible species and thus shape the evolution of mating systems.

• Klíčová slova
• Autonomous selfing, floral traits, hand-pollination, inbreeding depression, meadows, self-compatibility,
• MeSH
• fyziologie rostlin * MeSH
• květy MeSH
• opylení * MeSH
• pastviny * MeSH
• rozmnožování fyziologie   MeSH
• Publikační typ
• časopisecké články MeSH

Background/Objectives: Increasing drugs' stability and adequately protecting them against degradation will ensure a decrease in their price and broader availability of pharmaceutical substances. This is of great importance, especially for drugs used to treat the most common diseases in the population, such as hypertension. The study examined two newly synthesized substances from the angiotensin I-converting enzyme inhibitor (ACEI) group as potential drugs. ACEIs are among the leading drugs used in the treatment of hypertension in the world. The chemical modifications of the tested substances applied concerned the places most susceptible to degradation. The presented work analyzed the compatibility of new derivatives with selected excipients used in pharmacy. Methods: Thermogravimetric (TGA) and differential thermal analyses (c-DTA) were used as the main methods. In addition, non-thermal methods such as colorimetry analysis, Fourier-transform infrared (FTIR) and UV spectroscopy were used. Results: Based on the conducted studies, it can be concluded that the incompatibility of IND-1 with glucose anhydrous and lactose monohydrate occurs only when the mixture is stored at higher temperatures. For the remaining IND-1 and IND-2 mixtures with excipients, compatibility was demonstrated. Conclusions: The obtained results confirmed the usefulness of the applied thermal analyses (TGA and c-DTA) for assessing the compatibility of the tested potential drugs with excipients. However, in the case of incompatibility reactions of substances occurring under the influence of elevated temperatures, such as the Maillard reaction, it is necessary to use non-thermal methods to obtain the right result.

• Klíčová slova
• ACEI, FTIR, TGA, UV spectroscopy, c-DTA, colorimetry analysis, compatibility, pharmaceutical excipients,
• Publikační typ
• časopisecké články MeSH

Monoglycerides (MGs) such as glycerol monolaurate (GML) and glycerol monostearate (GMS) have been used as excipients in oral formulations because of their emulsifying effect as well as their ability to inhibit the precipitation and intestinal efflux of drugs. Excipient-drug compatibility studies, however, have been underexplored. In this study, benznidazole (BNZ) was selected as a drug model due to the difficulty in improving its solubility and because of the potential impact on public health (it is the only drug currently used to treat Chagas disease). The effect of different processing conditions (maceration, ball milling, and melting) on the physical-chemistry properties of BNZ/MGs mixtures was investigated to guide the rational development of new solid formulations. GML was more effective in improving the solubility of BNZ, which could be due to its more malleable structure, less hydrophobic nature, and greater interaction with BNZ. The formation of hydrogen bonds between the imidazole group of BNZ and the polar region of GML was confirmed by spectroscopy analyses (IR, 1H NMR). The higher the monoglyceride content in the mixture, the higher the BNZ solubility. Regardless of the method of processing the mixture, the drug was found to be crystalline. Polarized light microscopy analysis showed the presence of spherulites. Overall, these findings suggest that preparation methods of BNZ:MGs formulations that involve thermal or/and mechanical treatment have a low impact on the solid properties of the material, and this allows for the production of formulations with reproducible performance.

• Klíčová slova
• Benznidazole, Compatibility study, Monoglycerides, Solubility,
• MeSH
• glyceridy MeSH
• monoglyceridy * MeSH
• nitroimidazoly * MeSH
• pomocné látky MeSH
• Publikační typ
• časopisecké články MeSH
• Názvy látek
• benzonidazole MeSH Prohlížeč
• glyceridy MeSH
• monoglyceridy * MeSH
• nitroimidazoly * MeSH
• pomocné látky MeSH

The bioavailability of poorly water-soluble active pharmaceutical ingredients (APIs) can be improved via the formulation of an amorphous solid dispersion (ASD), where the API is incorporated into a suitable polymeric carrier. Optimal carriers that exhibit good compatibility (i.e., solubility and miscibility) with given APIs are typically identified through experimental means, which are routinely labor- and cost-inefficient. Therefore, the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state, a popular thermodynamic model in pharmaceutical applications, is examined in terms of its performance regarding the computational pure prediction of API-polymer compatibility based on activity coefficients (API fusion properties were taken from experiments) without any binary interaction parameters fitted to API-polymer experimental data (that is, kij = 0 in all cases). This kind of prediction does not need any experimental binary information and has been underreported in the literature so far, as the routine modeling strategy used in the majority of the existing PC-SAFT applications to ASDs comprised the use of nonzero kij values. The predictive performance of PC-SAFT was systematically and thoroughly evaluated against reliable experimental data for almost 40 API-polymer combinations. We also examined the effect of different sets of PC-SAFT parameters for APIs on compatibility predictions. Quantitatively, the total average error calculated over all systems was approximately 50% in the weight fraction solubility of APIs in polymers, regardless of the specific API parametrization. The magnitude of the error for individual systems was found to vary significantly from one system to another. Interestingly, the poorest results were obtained for systems with self-associating polymers such as poly(vinyl alcohol). Such polymers can form intramolecular hydrogen bonds, which are not accounted for in the PC-SAFT variant routinely applied to ASDs (i.e., that used in this work). However, the qualitative ranking of polymers with respect to their compatibility with a given API was reasonably predicted in many cases. It was also predicted correctly that some polymers always have better compatibility with the APIs than others. Finally, possible future routes to improve the cost-performance ratio of PC-SAFT in terms of parametrization are discussed.

• Klíčová slova
• PC-SAFT, amorphous solid dispersions, compatibility, drugs, polymers, prediction, solubility,
• MeSH
• léčivé přípravky MeSH
• polymery * chemie   MeSH
• příprava léků MeSH
• rozpustnost MeSH
• termodynamika MeSH
• voda * chemie   MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• Názvy látek
• léčivé přípravky MeSH
• polymery * MeSH
• voda * MeSH

Many anticancer active pharmaceutical ingredients (APIs), such as paclitaxel (PTX), exhibit poor water solubility, which limits their bioavailability and necessitates the use of excipients. While biodegradable polymeric excipients combined with nanotechnology offer promising solutions, the high cost of polymers and APIs, along with the vast number of potential API-polymer combinations, poses significant challenges in developing effective drug delivery systems (DDS). This study explores the potential of API-polymer phase behavior modeling as part of the design of nanoparticle (NP)-based DDS for PTX using poly(lactide-co-glycolide) (PLGA) and poly(lactide-co-glycolide)-b-poly(ethylene glycol) (PLGA-PEG) with varying molecular weights. The phase behavior of PTX-PLGA/PLGA-PEG systems, which reflects the compatibility of PTX with polymeric excipients, was predicted using the Conductor-like Screening Model for Real Solvents (COSMO-RS). To investigate the correlation between the predictions and experimental observations, PTX-PLGA and PEGylated PLGA NPs were prepared via an emulsion-solvent evaporation method with varying initial PTX amounts. The predicted trends in PTX solubility in polymeric excipients were then compared with key NP characteristics, such as drug loading, solid-state properties, and cytotoxicity in HeLa, SKOV-3, and MRC-5 cells. COSMO-RS predictions indicated limited PTX solubility in PLGA, which aligns with experimental observations, where the maximum amorphous PTX loading did not exceed 2 wt%, regardless of the polymer molecular weight. COSMO-RS modeling predicted higher compatibility of PTX with PEG, suggesting that incorporating PEG would enhance PTX loading in PEGylated NPs. This trend was corroborated by experimental findings, which showed increased drug loading capacity and slower PTX release from PEGylated NPs during cytotoxicity studies. These results highlight the potential of API-polymer modeling as a tool for tailoring polymeric carriers and optimizing API consumption in NP-based DDS development.

• Klíčová slova
• COSMO-RS, Cell tests, Compatibility, Drug delivery systems, Nanoparticles, PLGA copolymers, Paclitaxel,
• MeSH
• fytogenní protinádorové látky * chemie   aplikace a dávkování   farmakologie   MeSH
• kopolymer kyseliny glykolové a mléčné * chemie   MeSH
• lékové transportní systémy MeSH
• lidé MeSH
• nádorové buněčné linie MeSH
• nanočástice * chemie   aplikace a dávkování   MeSH
• nosiče léků * chemie   MeSH
• paclitaxel * chemie   aplikace a dávkování   farmakologie   MeSH
• polyethylenglykoly chemie   MeSH
• polyglactin 910 * chemie   MeSH
• pomocné látky chemie   MeSH
• rozpustnost MeSH
• uvolňování léčiv MeSH
• viabilita buněk účinky léků   MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH
• Názvy látek
• fytogenní protinádorové látky * MeSH
• kopolymer kyseliny glykolové a mléčné * MeSH
• nosiče léků * MeSH
• paclitaxel * MeSH
• polyethylenglykoly MeSH
• polyglactin 910 * MeSH
• pomocné látky MeSH

Green methanol, ethanol, and diesel-based hydrotreated vegetable oils are some of the renewable liquid fuels that show satisfactory performance in diesel engines. A notable advantage of these fuels is that they are renewable and do not require significant modifications in the existing engines for successful operation. Suitable fuel systems, especially their material compatibility, remain unresolved, and therefore, it is a weak link in their large-scale adaptation. Elastomer-based sealing O-rings lose their mechanical properties after a short exposure time to these fuels, adversely impacting their functionality. This research study evaluated the long-term material compatibility of different elastomer-based sealing materials by immersing the O-rings in these test fuels (hydrotreated vegetable oil, methanol, ethanol, and diesel) for different time intervals (i.e., up to 15 months). The material compatibility was assessed mainly by investigating these changes in various mechanical properties of these O-rings, namely tensile strength (ΔTs), elongation at break (ΔEb), Shore A hardness (ΔH), and mass (ΔM). The degradation of mechanical properties was studied and analyzed during the immersion interval from 0.9 to 15.2 months and compared with O-rings kept in a normal atmosphere. It was noted that individual fuels affect various mechanical properties significantly. In a short interval of 0.9 months (28 days), significant changes in the mechanical properties of the sealing O-rings were observed.

• Klíčová slova
• O-rings, ethanol, green diesel, material compatibility, methanol, tensile strength,
• Publikační typ
• časopisecké články MeSH