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1.
Soft Matter ; 20(10): 2400-2406, 2024 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-38380675

RESUMO

A Siamese neural network, which is a deep learning technique, was applied to investigate phase transitions based on polarising microscopic textures of liquid crystals like: antiferroelectric smectic CA* phase and its glass, smectic I phase and its glass, and smectic G and its glass. It is an example of a subtle transition without significant structural changes, where textures above and below the glass transition temperature are similar. The Siamese neural network could distinguish textures of the chosen liquid crystal phases from a glass of that phase. This publication provides details of the Siamese neural network and its implementation based on three different convolutional neural networks has been tested.

2.
Phys Chem Chem Phys ; 26(13): 10144-10155, 2024 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-38488033

RESUMO

Chiral liquid crystalline compounds belonging to the homologous series of (S)-4'-(1-methylheptyloxycarbonyl)biphenyl-4-yl 4-[m-(2,2,3,3,4,4,4-heptafluorobutoxy)alk-1-oxy]-2-fluorobenzoates show various behaviors on cooling depending on the length of the CmH2m chain. The homologue with m = 2 crystallizes, while for m = 5, 6, 7, and presumably also for m = 3, the glass of the anticlinic smectic CA* phase is formed. The previous results for m = 4 suggest that this homologue may also be a glassformer. This paper presents the study of the crystallization kinetics for the compound with m = 4 in isothermal conditions (by polarizing optical microscopy) and for the 5-40 K min-1 cooling rates (by differential scanning calorimetry). Microscopic observations enable estimation of the energy barrier for nucleation, which equals 409 kJ mol-1. The threshold cooling rate necessary for complete vitrification of the smectic CA* phase, obtained by extrapolating the enthalpy change during crystallization to zero, is equal to 81 K min-1 or 64 K min-1 for the linear and parabolic fits, respectively. The structural studies by X-ray diffraction show that crystal phases have lamellar structures both in the pristine sample and after crystallization from the melt but with different layer spacing. A weak relaxation process is detected in the sample after melt crystallization, revealing the presence of the conformational disorder. The dynamic glass transition temperature of the SmCA* phase, estimated from the relaxation time of the PH process (as the α-relaxation time could not be registered in a wide enough temperature range), is 244 K.

3.
Int J Mol Sci ; 25(12)2024 Jun 12.
Artigo em Inglês | MEDLINE | ID: mdl-38928182

RESUMO

Enantioseparation of nineteen liquid crystalline racemic mixtures obtained based on (R,S)-2-octanol was studied in reversed-phase mode on an amylose tris(3-chloro-5-methylphenylcarbamate) (ReproSil Chiral-MIG) and a cellulose tris(3,5-dichlorophenylcarbamate) (ReproSil Chiral-MIC). These polysaccharide-based chiral stationary phase (CSP) columns for High-Performance Liquid Chromatography (HPLC) were highly effective in recognizing isomers of minor structural differences. The mobile phase (MP), which consists of acetonitrile (ACN)/water (H2O) at different volume ratios, was used. The mobile phases were pumped at a flow rate of 0.3, 0.5, or 1 mL·min-1 with a column temperature of 25 °C, using a UV detector at 254 nm. The order of the elution was also determined. The chromatographic parameters, such as resolution (Rs), selectivity (α), and the number of theoretical plates, i.e., column efficiency (N), were determined. The polysaccharide-based CSP columns have unique advantages in separation technology, and this study has shown the potential usefulness of the CSP columns in separating liquid crystalline racemic mixtures belonging to the same homologous series.


Assuntos
Cromatografia de Fase Reversa , Cristais Líquidos , Polissacarídeos , Cristais Líquidos/química , Estereoisomerismo , Cromatografia de Fase Reversa/métodos , Cromatografia Líquida de Alta Pressão/métodos , Polissacarídeos/química , Amilose/química , Amilose/análogos & derivados , Celulose/química , Celulose/análogos & derivados , Fenilcarbamatos/química
4.
Int J Mol Sci ; 25(13)2024 Jun 29.
Artigo em Inglês | MEDLINE | ID: mdl-39000304

RESUMO

This publication presents the effect of hypochlorous acid dry mist as a disinfectant on selected bacteria, viruses, spores, and fungi as well as on portable Microlife OXY 300 finger pulse oximeters and electronic systems of Raspberry Pi Zero microcomputers. The impact of hypochlorous acid on microbiological agents was assessed at concentrations of 300, 500, and 2000 ppm of HClO according to PN-EN 17272 (Variant I). Studies of the impact of hypochlorous acid fog on electronic components were carried out in an aerosol chamber at concentrations of 500 ppm and 2000 ppm according to two models consisting of 30 (Variant II) and 90 fogging cycles (Variant III). Each cycle included the process of generating a dry mist of hypochlorous acid (25 mL/m3), decontamination of the test elements, as well as cleaning the chamber of the disinfectant agent. The exposure of the materials examined on hypochlorous acid dry mist in all variants resulted in a decrease in the number of viruses, bacteria, spores, and fungi tested. In addition, the research showed that in the variants of hypochlorous acid fogging cycles analyzed, no changes in performance parameters and no penetration of dry fog of hypochlorous acid into the interior of the tested medical devices and electronic systems were observed.


Assuntos
Descontaminação , Desinfetantes , Fungos , Ácido Hipocloroso , Ácido Hipocloroso/farmacologia , Fungos/efeitos dos fármacos , Desinfetantes/farmacologia , Descontaminação/métodos , Bactérias/efeitos dos fármacos , Vírus/efeitos dos fármacos , Esporos Fúngicos/efeitos dos fármacos , Esporos Bacterianos/efeitos dos fármacos , Eletrônica
5.
Molecules ; 29(13)2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38999086

RESUMO

Orthoconic antiferroelectric liquid crystals (OAFLCs) represent unique self-organized materials with significant potential for applications in photonic devices due to their sub-microsecond switching times and high optical contrast in electro-optical effects. However, almost all known OALFCs suffer from low chemical stability and short helical pitch values. This paper presents the synthesis and study results of two chiral AFLCs, featuring a four-ring structure in the rigid core and high chemical stability. The mesomorphic properties of these compounds were investigated using polarizing optical microscopy and differential scanning calorimetry. Spectrometry and electro-optical studies were employed to estimate the helical pitch, tilt angle, and spontaneous polarization of the synthesized compounds and the prepared mixtures. All studied compounds exhibit enantiotropic chiral smectic mesophases including the SmA*, the SmC*, and a very broad temperature range of the SmCA* phase. Doping top-modern antiferroelectric mixture with synthesized compounds offers benefits such as increased helical pitch and tilt angle values without significantly influencing spontaneous polarization. This allows the prepared mixture to be regarded as an OAFLC with high optical contrast, characterized by an almost perfect dark state. These valuable physicochemical and optical properties suggest significant potential of studied materials for practical applications.

6.
Materials (Basel) ; 17(13)2024 Jul 05.
Artigo em Inglês | MEDLINE | ID: mdl-38998416

RESUMO

The dielectric properties of synclinic (ferroelectric SmC*) and anticlinic (antiferroelectric SmCA*) smectic liquid crystals composed of molecules of one chiral version (S) are presented and compared with properties of racemic mixture (R, S), showing SmC and SmCA phases. The racemic mixture completely loses its ferroelectric and antiferroelectric properties. Surprisingly, only one dielectric mode observed in the antiferroelectric SmCA* phase disappeared in the dielectric response of the racemic SmCA phase. Additionally, we observed that in the SmC phase, seen in the racemic mixture, the weak dielectric mode (named the X mode) is detected, which seems to be the continuation of the PL mode existing in the racemic SmCA. Moreover, this mode in the racemic SmC has nothing to do with the Goldstone mode, typical for the SmC* phase. This paper describes in detail the real and imaginary parts of dielectric permittivity in smectic phases for the enantiomer and racemate with and without a DC field, compares the properties of the X and PL modes, and discusses the full scheme of dielectric modes in enantiomer and racemate.

7.
Materials (Basel) ; 17(3)2024 Jan 27.
Artigo em Inglês | MEDLINE | ID: mdl-38591460

RESUMO

We have designed new chiral smectic mesogens with the -CH2O group near the chiral center. We synthesized two unique rod-like compounds. We determined the mesomorphic properties of these mesogens and confirmed the phase identification using dielectric spectroscopy. Depending on the length of the oligomethylene spacer (i.e., the number of methylene groups) in the achiral part of the molecules, the studied materials show different phase sequences. Moreover, the temperature ranges of the observed smectic phases are different. It can be seen that as the length of the alkyl chain increases, the liquid crystalline material shows more mesophases. Additionally, its clearing (isotropization) temperature increases. The studied compounds are compared with the structurally similar smectogens previously synthesized. The helical pitch measurements were performed using the selective reflection method. These materials can be useful and effective as chiral components and dopants in smectic mixtures targeted for optoelectronics and photonics.

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