This study focuses on the use of thermodynamic sensors (TDS) in baking, brewing, and yogurt production at home. Using thermodynamic sensors, a change in the temperature flow between the two sensor elements during fermentation was observed for the final mixture (complete recipe for pizza dough production), showing the possibility of distinguishing some phases of the fermentation process. Even during the fermentation process in the preparation of wort and yogurt with non-traditional additives, the sensors were able to indicate significant parts of the process, including the end of the process. The research article also mentions as a new idea the use of trivial regulation at home in food production to determine the course of the fermentation process. The results presented in this article show the possibility of using TDS for more accurate characterization and adjustment of the production process of selected foods in the basic phase, which will be further applicable in the food industry, with the potential to reduce the cost of food production processes that involve a fermentation process.

• Klíčová slova
• fermentation, thermodynamic sensors, yeast,
• MeSH
• fermentace MeSH
• jogurt * MeSH
• manipulace s potravinami * MeSH
• teplota MeSH
• termodynamika MeSH
• Publikační typ
• časopisecké články MeSH

This study focuses on an applicability of the device designed for monitoring dough fermentation. The device combines a complex system of thermodynamic sensors (TDSs) with an electronic nose (E-nose). The device's behavior was tested in experiments with dough samples. The configuration of the sensors in the thermodynamic system was explored and their response to various positions of the heat source was investigated. When the distance of the heat source and its intensity from two thermodynamic sensors changes, the output signal of the thermodynamic system changes as well. Thus, as the distance of the heat source decreases or the intensity increases, there is a higher change in the output signal of the system. The linear trend of this change reaches an R2 value of 0.936. Characteristics of the doughs prepared from traditional and non-traditional flours were successfully detected using the electronic nose. To validate findings, the results of the measurements were compared with signals from the rheofermentometer Rheo F4, and the correlation between the output signals was closely monitored. The data after statistical evaluation show that the measurements using thermodynamic sensors and electronic nose directly correlate the most with the measured values of the fermenting dough volume. Pearson's correlation coefficient for TDSs and rheofermentometer reaches up to 0.932. The E-nose signals also correlate well with dough volume development, up to 0.973. The data and their analysis provided by this study declare that the used system configuration and methods are fully usable for this type of food analysis and also could be usable in other types of food based on the controlled fermentation. The system configuration, based on the result, will be also used in future studies.

• Klíčová slova
• dough fermentation, electronic nose, mealworm flour, monitoring, rheofermentometer, rice flour, thermodynamic sensors,
• Publikační typ
• časopisecké články MeSH

Dough fermentation in gluten-free bakery products is problematic due to the absence of gluten, which provides advantageous rheological properties. A thermodynamic sensor (TDS) system combined with an electronic nose was tested as an alternative to conventional methods monitoring dough development based on mechanical properties. In the first part, the configuration of the sensors in the thermodynamic system and their response to different heat-source positions, which significantly affect the output signal from the measurement system, were investigated. The practical contribution lies in the application of the measurements to the example of gluten-free doughs with and without edible insect enrichment. An optimized configuration of the thermodynamic system (one sensor on the inner wall of the container at the bottom and another in the middle of the container closer to the top of the dough) in combination with an experimental electronic nose was used for the aforementioned measurement. In some cases, up to 87% correlation between the signal from the TDS and the signals from a professional rheofermentometer Rheo F-4 (Chopin) was demonstrated. The differences between the results can be explained by the use of different techniques. Using a combination of sensor systems in one place, one time and one sample can lead to more comprehensive and robust results. Furthermore, it was shown that the fermentation activity increased in corn dough with the addition of insects compared to dough without the addition. In rice flour dough with the addition of edible insects, fermentation activity was similar to that of the flour without the addition.

• Klíčová slova
• dough, e-nose, edible insects, fermentation, gluten-free, optimization, rheofermentometer, the dough development, the production of gas, thermodynamic sensor,
• MeSH
• bezlepková dieta * MeSH
• fermentace MeSH
• mouka * MeSH
• reologie MeSH
• termodynamika MeSH
• Publikační typ
• časopisecké články MeSH

The binding ability of a drug to plasma proteins influences the pharmacokinetics of a drug. As a result, it is a very important issue in new drug development. In this study, affinity capillary electrophoresis, capillary electrophoresis with frontal analysis, and Hummel Dreyer methods with internal and external calibration were used to study the affinity between bovine serum albumin and salicylic acid. The binding constant was measured by all these approaches including the equilibrium dialysis, which is considered to be a reference method. The comparison of results and other considerations showed the best electrophoretic approach to be capillary electrophoresis-frontal analysis, which is characterized by the high sample throughput with the possibility of automation, very small quantities of biomacromolecules, simplicity, and a short analysis time. The mechanism of complex formation was then examined by capillary electrophoresis with frontal analysis. The binding parameters were determined and the corresponding thermodynamic parameters such as Gibbs free energy ΔG(0), enthalpy ΔH(0), and entropy changes ΔS(0) at various temperatures were calculated. The results showed that the binding of bovine serum albumin and salicylic acid was spontaneous, and that hydrogen bonding and van der Waals forces played a major role in the formation of the complex.

• Klíčová slova
• Affinity capillary electrophoresis, Binding constants, Frontal analysis, Hummel Dreyer method, Thermodynamic parameters,
• MeSH
• automatizace * MeSH
• elektroforéza kapilární metody   MeSH
• kalibrace MeSH
• léčivé přípravky metabolismus   MeSH
• proteiny metabolismus   MeSH
• termodynamika MeSH
• vazba proteinů MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• srovnávací studie MeSH
• Názvy látek
• léčivé přípravky MeSH
• proteiny MeSH

2D monoelemental materials, particularly germanene and silicene (the single layer of germanium and silicon), which are the base materials for modern electronic devices demonstrated tremendous attraction for their 2D layer structure along with the tuneable electronics and optical band gap. The major shortcoming of synthesized thermodynamically very unstable layered germanene and silicene with their inclination toward oxidation was overcome by topochemical deintercalation of a Zintl phase (CaGe2, CaGe1.5Si0.5, and CaGeSi) in a protic environment. The exfoliated Ge-H, Ge0.75Si0.25H, and Ge0.5Si0.5H were successfully synthesized and employed as the active layer for photoelectrochemical photodetectors, which showed broad response (420-940 nm), unprecedented responsivity, and detectivity on the order of 168 μA W-1 and 3.45 × 108 cm Hz1/2 W-1, respectively. The sensing capability of exfoliated germanane and silicane composites was explored using electrochemical impedance spectroscopy with ultrafast response and recovery time of less than 1 s. These positive findings serve as the application of exfoliated germanene and silicene composites and can pave a new path to practical applications in efficient future devices.

• Klíčová slova
• band bending, germanane and silicane, photoelectrochemical (PEC) photodetector, self-powered, vapor sensor,
• Publikační typ
• časopisecké články MeSH

The present article dealt with the fortification of plain wheat flour by the addition of grape pomace flour and mealworm larvae powder, focusing on the mineral content and selected properties of the dough. The work also analyzed the properties of one mixture in a weight combination of 80% wheat flour, 10% grape pomace, and 10% mealworm. X-ray analysis was used to measure the mineral content of calcium, iron, copper, and zinc. The properties of the individual mixture were monitored using an experimental electronic nose and a thermodynamic sensor system during the leavening. The results showed that a combination of 50% grape pomace and 50% mealworm larvae was advantageous from the viewpoint of the favorable representation of minerals. The analyzed mixture contained a high proportion of calcium (3976.7 ± 362.9 mg·kg-1), iron (209.3 ± 25.7 mg·kg-1), and copper (65.0 ± 100.1 mg·kg-1) for grape pomace as well as a high proportion of zinc (277.0 ± 21.9 mg·kg-1) for the mealworm larvae. However, this mixture showed a small change in the heat flux response when analyzed with thermodynamic sensors (lower yeast activity and worse gas formation properties resulted from the sensor characteristic with a lower response). The 100% wheat flour had the highest response, and the second highest response was recorded for a mixture of wheat flour with 10% grape pomace and 10% mealworm larvae. This combination also often had one of the highest responses when measured with an experimental electronic nose, so this combination was considered as one of the most advantageous options for processing from the mixtures mentioned in the article.

• Klíčová slova
• dough, flour, grape pomace, mealworms, wheat flour,
• Publikační typ
• časopisecké články MeSH

Lanthanide(III) complexes of 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid (H(3)DO3A) are suggested as sensors for sensitive luminescence-based determination of a carbonate anion. Thermodynamic study of association of [Eu(H(2)O)(2)(DO3A)] with bidentate anionic ligands using luminescence spectroscopy reveals an affinity order CO(3)(2-) > oxalate(2-) > picolinate(-) > phthalate(2-) ≈ citrate(3-); presumably as a consequence of an increasing chelate ring size. The ternary [Eu(DO3A)(picolinate)](-) and [Tb(DO3A)(picolinate)](-) complexes show improved photophysical properties due to the antenna effect of the picolinate anion. High quenching effect of carbonate anion and, to a lesser extent also oxalate, enables construction of a linear calibration plot utilizing optimized experimental conditions (e.g. c(LnL) = 0.1 mM, c(picolinate) = 2-5 mM, pH = 7.4, λ(exc) = 286 nm, etc.) for carbonate determination in solution. Both sensors show a comparable sensitivity and the detection limit of about 0.4 mM. In order to improve the photophysical properties of Ln(III) sensor by shift of excitation wavelength about 40 nm to VIS range, the isoquinoline-3-carboxylic acid (IQCA) as antenna ligand was employed instead of picolinic acid. The analysis of commercial samples of European mineral waters was carried out and they were compared to the results obtained by capillary isotachophoresis to confirm there is no inherent (systematic) error to the present analysis. The Ln(III) sensor with IQCA is recommended since it has a better robustness than that with picolinate. The present analytical method is simple and rapid, and it is useful for sensitive determination of bicarbonate/carbonate concentration in water samples under aerobic conditions.

• MeSH
• chemické techniky analytické přístrojové vybavení   MeSH
• europium chemie   MeSH
• heterocyklické sloučeniny monocyklické chemie   MeSH
• ligandy MeSH
• luminiscenční měření MeSH
• makrocyklické sloučeniny chemie   MeSH
• organokovové sloučeniny chemie   MeSH
• terbium chemie   MeSH
• termodynamika MeSH
• uhličitany analýza   chemie   MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• Názvy látek
• 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid MeSH Prohlížeč
• europium MeSH
• heterocyklické sloučeniny monocyklické MeSH
• ligandy MeSH
• makrocyklické sloučeniny MeSH
• organokovové sloučeniny MeSH
• terbium MeSH
• uhličitany MeSH

UNLABELLED: To find and calibrate a robust and reliable computational protocol for mapping conformational space of medium-sized molecules, exhaustive conformational sampling has been carried out for a series of seven macrocyclic compounds of varying ring size and one acyclic analogue. While five of them were taken from the MD/LLMOD/force field study by Shelley and co-workers ( Watts , K. S. ; Dalal , P. ; Tebben , A. J. ; Cheney , D. L. ; Shelley , J. C. Macrocycle Conformational Sampling with MacroModel . J. Chem. Inf. MODEL: 2014 , 54 , 2680 - 2696 ), three represent potential macrocyclic inhibitors of human cyclophilin A. The free energy values (GDFT/COSMO-RS) for all of the conformers of each compound were obtained by a composite protocol based on in vacuo quantum mechanics (DFT-D3 method in a large basis set), standard gas-phase thermodynamics, and the COSMO-RS solvation model. The GDFT/COSMO-RS values were used as the reference for evaluating the performance of conformational sampling algorithms: standard and extended MD/LLMOD search (simulated-annealing molecular dynamics with low-lying eigenvector following algorithms, employing the OPLS2005 force field plus GBSA solvation) available in MacroModel and plain molecular dynamics (MD) sampling at high temperature (1000 K) using the semiempirical quantum mechanics (SQM) potential SQM(PM6-D3H4/COSMO) followed by energy minimization of the snapshots. It has been shown that the former protocol (MD/LLMOD) may provide a more complete set of initial structures that ultimately leads to the identification of a greater number of low-energy conformers (as assessed by GDFT/COSMO-RS) than the latter (i.e., plain SQM MD). The CPU time needed to fully evaluate one medium-sized compound (∼100 atoms, typically resulting in several hundred or a few thousand conformers generated and treated quantum-mechanically) is approximately 1,000-100,000 CPU hours on today's computers, which transforms to 1-7 days on a small-sized computer cluster with a few hundred CPUs. Finally, our data sets based on the rigorous quantum-chemical approach allow us to formulate a composite conformational sampling protocol with multiple checkpoints and truncation of redundant structural data that offers superior insights at affordable computational cost.

• MeSH
• algoritmy MeSH
• kalibrace MeSH
• krystalografie MeSH
• kvantová teorie MeSH
• makrocyklické sloučeniny chemie   MeSH
• molekulární konformace * MeSH
• rychlé screeningové testy MeSH
• simulace molekulární dynamiky MeSH
• termodynamika MeSH
• vysoká teplota MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• srovnávací studie MeSH
• Názvy látek
• makrocyklické sloučeniny MeSH

Adsorption of HIV protease onto surfaces that are usually considered to be protein-resistant was studied quantitatively using surface plasmon resonance. Adsorption onto gold surfaces functionalized by OH-terminated alkyl chains was much stronger than onto oligo(ethylene glycol)-terminated surfaces. Equilibrium and kinetic adsorption constants were determined. An anomalous mutual attraction between adsorbate molecules was observed, indicating the possibility of two-dimensional crystallization of HIV protease. These results are applicable for the design of sensors/biosensors for HIV protease resistance detection and for proper manipulation of this enzyme in laboratory devices.

• MeSH
• adsorpce MeSH
• HIV-proteasa chemie   farmakokinetika   MeSH
• HIV chemie   enzymologie   MeSH
• krystalizace MeSH
• lidé MeSH
• povrchová plasmonová rezonance MeSH
• povrchové vlastnosti MeSH
• termodynamika MeSH
• zlato MeSH
• Check Tag
• lidé MeSH
• Publikační typ
• časopisecké články MeSH
• práce podpořená grantem MeSH
• Názvy látek
• HIV-proteasa MeSH
• zlato MeSH

Pnictogens are an intensively studied group of monoelemental two-dimensional materials. This group of elements consists of phosphorus, arsenic, antimony, and bismuth. In this group, the elements adopt two different layered structural allotropes, orthorhombic structure with true van der Waals layered interactions and rhombohedral structure, where covalent interactions between layers are also present. The orthorhombic structure is well known for phosphorus and arsenic, and the rhombohedral structure is the most thermodynamically stable allotropic modification of arsenic, antimony, and bismuth. Due to the electronic structure of pnictogen layers and their semiconducting character, these materials have huge application potential for electronic devices such as transistors and sensors including photosensitive devices as well as gas and electrochemical sensors. While photodetection and gas sensing applications are often related to lithography processed materials, chemical sensing proceeds in a liquid environment (either aqueous or non-aqueous) and can be influenced by surface oxidation of these materials. In this review, we explore the current state of pnictogen applications in sensing and electronic devices including transistors, photodetectors, gas sensors, and chemical/electrochemical sensors.

• Publikační typ
• časopisecké články MeSH