Pinhole small-angle neutron scattering based approach for desmearing slit ultra-small-angle neutron scattering data.

Presented here is an effective approach to desmearing slit ultra-small-angle neutron scattering (USANS) data, based on complementary small-angle neutron scattering (SANS) measurements, leading to a seamless merging of these data sets. The study focuses on the methodological aspects of desmearing USANS data, which can then be presented in the conventional manner of SANS, enabling a broader pool of data analysis methods. The key innovation lies in the use of smeared SANS data for extrapolating slit USANS, offering a self-consistent integrand function for desmearing with Lake's iterative method.

Effect of the linking bridge type on the self-assembly behaviour of 2',3'-difluoroterphenyl derivatives.

The self-assembly behaviour and the crystallization kinetics of two liquid crystal compounds containing 2',3'-difluorosubstituted terphenyl as the mesogenic core have been described. Calorimetric studies show that the linking bridge type affects the polymorphism of smectic phases. The CH2O.

A Siamese neural network framework for glass transition recognition.

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 C* 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.

Influence of proton irradiation on the magnetic properties of two-dimensional Ni(II) molecular magnet.

The influence of 1.9 MeV proton irradiation on structural and magnetic properties has been explored in the two-dimensional (2D) NiSO(1,3-phenylenediamine) coordination ferrimagnet. The X-ray powder diffraction and IR spectroscopy revealed that the octahedrons with Ni ion in the center remain unchanged regardless of the fluence a sample received.

Vitrification of the smectic C* phase and kinetics of cold crystallization investigated for a fluorinated compound with a chiral centre based on ()-(+)-3-octanol.

The formation of glass of the anticlinic high-tilted smectic C* phase even at low cooling rates (≥2 K min) is reported for ()-4'-(1-ethylhexyloxycarbonyl)biphenyl-4-yl 4-[5-(2,2,3,3,4,4,4-heptafluorobutoxy)pentyl-1-oxy]benzoate. The kinetics of crystallization is investigated differential scanning calorimetry, polarizing optical microscopy and broadband dielectric spectroscopy. The temperature region of the largest crystallization rate, the activation energy of cold crystallization and the energy barrier of nucleation are determined.

Investigation of Chiral Smectic Phases and Conformationally Disordered Crystal Phases of the Liquid Crystalline 3F5FPhH6 Compound Partially Fluorinated at the Terminal Chain and Rigid Core.

Complementary methods are applied to investigate the phase transitions and crystallization kinetics of the liquid crystalline compound denoted as 3F5FPhH6. Two crystal phases are confirmed, and one of them is the conformationally disordered (CONDIS) phase. Complexity of the melt crystallization process is revealed by the analysis with Friedman's isoconversional method.

Vibrational dynamics of ethosuximide polymorphs. Infrared absorption and inelastic neutron scattering spectroscopy and model calculations.

Commercially available and administered to the patients ethosuximide is a racemic mixture of two enantiomers, each of them exist in different conformations. The presence of the species mentioned are proven by the title experimental methods aided by DFT model calculations. Results of the latter are matched against spectroscopic data by the clustering window analysis.

Comparative study of electrooptic, dielectric, and structural properties of two glassforming antiferroelectric mixtures with a high tilt angle.

Vitrification of the antiferroelectric smectic-C_{A}^{*} phase is reported for the orthoconic mixture W-1000 and its new derivative W-356. The crystallization is not observed even upon slow cooling and the cold crystallization on subsequent heating is also absent. Molecular dynamics in the smectic phases of both mixtures is investigated down to 173 K and the fragility parameters are determined from the temperature behavior of the α-process.

On relaxation and vibrational dynamics in the thermodynamic states of a chiral smectogenic glass-former.

This article shows the full characteristics (, the phase situation as well as the relaxation and vibrational dynamics) of the ()-4'-(1-methyloctyloxycarbonyl)biphenyl-4-yl 4-[5-(2,2,3,3,4,4,4-heptafluorobutoxy)pentyl-1-oxy]-benzoate chiral liquid crystal. Besides two enantiotropic chiral smectic phases (SmC* and ), the compound under study also forms the hexatic smectic phase and two crystal phases (Cr1 and Cr2). The XRD patterns imply a similar structure of both crystal phases.

Description of Release Process of Doxorubicin from Modified Carbon Nanotubes.

The article discusses the release process of doxorubicin hydrochloride (DOX) from multi-wall carbon nanotubes (MWCNTs). The studies described a probable mechanism of release and actions between the surface of functionalized MWCNTs and anticancer drugs. The surface of carbon nanotubes (CNTs) has been modified via treatment in nitric acid to optimize the adsorption and release process.

Investigation of crystallization kinetics and its relationship with molecular dynamics for chiral fluorinated glassforming smectogen 3F5HPhH6.

The phase transitions, crystallization kinetics and molecular dynamics of ()-4'-(1-methylheptylcarbonyl)biphenyl-4-yl 4-[5-(2,2,3,3,4,4,4-heptafluorobutoxy)pent-1-oxy] benzoate (3F5HPhH6) are investigated by differential scanning calorimetry, polarizing optical microscopy and broadband dielectric spectroscopy. The vitrification of the antiferroelectric hexatic phase is observed for cooling rates ≥5 K min and the fragility index determined from dielectric data is ≈ 90. Two regimes of non-isothermal cold crystallization are distinguished using the Kissinger and Augis-Bennett methods in the heating rate ranges of 1-5 K min (larger activation energy) and 8-20 K min (lower activation energy).

Biological Performances of Plasmonic Biohybrids Based on Phyto-Silver/Silver Chloride Nanoparticles.

Silver/silver chloride nanoparticles (Ag/AgClNPs), with a mean size of 48.2 ± 9.5 nm and a zeta potential value of -31.

Effect of high pressure on relaxation dynamics and crystallization kinetics of chiral liquid crystal in its smectic phase.

The impact of high pressure on molecular dynamics and the crystallization process in the smectic phase with antiferroelectric properties of partially fluorinated liquid crystal (S)-4'-(1-methyloctyloxycarbonyl)biphenyl-4-yl-4-[7-(2,2,3,3,4,4,4-heptafluorobutoxy)heptyl-1-oxy]-benzoate (3F7HPhH7) was studied by broadband dielectric spectroscopy (BDS). By analyzing dielectric spectra measured under isobaric and isothermal conditions, the changes of the activation volume vs. temperature and the activation enthalpy vs.

On the relaxation dynamics of a double glass-forming antiferroelectric liquid crystal.

The relaxation dynamics in the thermodynamic states of the glass-forming antiferroelectric liquid crystal (S)-4'-(1-methyloctyloxycarbonyl) biphenyl-4-yl 4-[7-(2,2,3,3,4,4,4-heptafluorobutoxy) heptyl-1-oxy]-benzoate (3F7HPhH7) was studied by broadband dielectric spectroscopy (BDS). Two glass transitions were found at T = 259 K and T = 239 K, which were associated with the freezing of anti-phase motions and reorientation around the long molecular axis in the antiferroelectric SmC* phase, respectively. The low temperature α2-relaxation process shows a Vogel-Fulcher-Tammann (VFT)-type temperature dependence of its structural relaxation time τ(T).

Free volume in the smectic-E phase of 4-hexyl-4' isothiocyanatobiphenyl studied by positron annihilation spectroscopy.

Positron annihilation lifetime spectroscopy has been used to study 4-hexyl-4'-isothiocyanatobiphenyl. Changes of the orthopositronium lifetime parameters with temperature have been observed for the supercooled smectic-E phase. The measurements confirm that positronium is created and annihilates in a layer of a lower electron density containing alkyl chains of molecules.

Vibrational Dynamics of Carbamazepine: Studies Based on Two-Dimensional Correlation Spectroscopy and X-ray Diffraction.

Fourier transform infrared spectroscopy as well as X-ray diffraction (XRD) were employed to thoroughly study phase transitions taking place during heating-cooling-heating cycle of carbamazepine (CBZ), a well known and commonly used antiepileptic drug. Both techniques revealed cold crystallization taking place during second heating. Moreover, XRD studies for the first time proved the coexistence of CBZ (form I) and iminostilbene (product of the degradation of CBZ) after a heating-cooling cycle.

Interplay between Crystallization and Glass Transition in Nematic Liquid Crystal 2,7-Bis(4-pentylphenyl)-9,9-diethyl-9 H-fluorene.

This article presents the crystallization behavior and molecular dynamics of the supercooled nematic state of the newly synthesized liquid crystal 2,7-bis(4-pentylphenyl)-9,9-diethyl-9 H-fluorene (5P-EtFLEt-P5) studied by means of broadband dielectric spectroscopy (BDS). 5P-EtFLEt-P5 is a fragile glass-forming system with a high fragility parameter ( m ≈ 121). The study compares the isothermal melt- and cold-crystallization processes at several selected temperatures T in the vicinity of the glass-transition temperature T (1.

Dynamics of Dimethylbutanols in Plastic Crystalline Phases by Field Cycling H NMR Relaxometry.

2,2-Dimethylbutan-1-ol (2,2-DM-1-B), 3,3-dimethylbutan-1-ol (3,3-DM-1-B), and 3,3-dimethylbutan-2-ol (3,3-DM-2-B) show a rich solid-state polymorphism, which includes one or more plastic crystalline phases (also referred to as orientationally disordered crystalline (ODIC) phases) and glass of the liquid or ODIC phases. In this work, the dynamics of the three isomeric alcohols was investigated in the liquid and plastic crystalline phases by fast field cycling H NMR relaxometry in the temperature range between 213 and 303 K. The analysis of the nuclear magnetic relaxation dispersion curves (i.

Glass Transition Dynamics and Crystallization Kinetics in the Smectic Liquid Crystal 4-n-Butyloxybenzylidene-4'-n'-octylaniline (BBOA).

The molecular dynamics of 4-n-butyloxybenzylidene-4'-n'-octylaniline (BBOA, abbreviated also as 4O.8) was studied by broadband dielectric spectroscopy (BDS) for samples that were exposed to various thermal treatments. Phase transitions between liquid crystalline phases (N, SmA, SmB, and SmB) were evidenced by abrupt changes in the temperature dependence of the dielectric permittivity spectra and dielectric relaxation times.

Dynamics of the Chiral Liquid Crystal 4'-Butyl-4-(S)-(2-methylbutoxy)azoxybenzene in the Isotropic, Cholesteric, and Solid Phases: A Fast Field-Cycling NMR Relaxometry Study.

(1)H NMR relaxometry was applied to investigate dynamic processes in the isotropic liquid, cholesteric, and crystalline phases of the chiral mesogen 4'-butyl-4-(S)-(2-methylbutoxy)azoxybenzene (4ABO5*). To this aim, (1)H longitudinal relaxation rates were measured as a function of temperature (between 257 and 319 K) and Larmor frequency (from 10 kHz to 35 MHz by a fast field-cycling relaxometer and at 400 MHz by an NMR spectrometer). The NMR relaxation dispersion (NMRD) curves so obtained were analyzed in terms of models suitable for the description of dynamic processes in the different phases, thus quantitatively determining values of characteristic motional parameters.

Positronium formation and annihilation in liquid crystalline smectic-E phase revisited.

The results of the positron lifetime measurements of the quenched smectic-E (Sm-E) phase of 4-butyl-4'-isothiocyano-1,1'-biphenyl (4TCB) are revisited. The sites of positronium formation and annihilation, according to the model with nanosegregated layered structure of the Sm-E phase and molten state of alkyl chains of molecules, are identified in the sublayer containing alkyl chains of molecules. The possibility of vitrification of the Sm-E phase for 4TCB consisting in freezing of the alkyl chain motions is considered as a cause of the thermally activated creation of sites where o-Ps is formed and annihilates in the quenched Sm-E phase.

Tuning of Charge Transfer Assisted Phase Transition and Slow Magnetic Relaxation Functionalities in {Fe(9-x)Co(x)[W(CN)8]6} (x = 0-9) Molecular Solid Solution.

Precisely controlled stoichiometric mixtures of Co(2+) and Fe(2+) metal ions were combined with the [W(V)(CN)8](3-) metalloligand in a methanolic solution to produce a series of trimetallic cyanido-bridged {Fe(9-x)Co(x)[W(CN)8]6(MeOH)24}·12MeOH (x = 0, 1, ...

Optical Activity and Dehydration-Driven Switching of Magnetic Properties in Enantiopure Cyanido-Bridged Co(II)3W(V)2 Trigonal Bipyramids.

The unique enantiopure {[Λ-Co(II)((R)-mpm)2]3[W(V)(CN)8]2}·9H2O [(R)-1] and {[Δ-Co(II)((S)-mpm)2]3[W(V)(CN)8]2}·9H2O [(S)-1], where mpm = α-methylpyridinemethanol, magnetic spongelike materials, crystallizing in the chiral P21 space group, are constructed of cyanido-bridged {Co3W2} trigonal bipyramids with three cis-[Co(II)(mpm)2(μ-NC)2] moieties in equatorial sites and two [W(V)(CN)8](3-) units in apical positions. The arrangement of {Co3W2} clusters in the crystal lattice is controlled by interactions with crystallization H2O molecules, resulting in two independent hydrogen-bonding systems: the first weaving along open channels in the a direction (weakly bonded H2O) and the second closed in the cages formed by the surrounding [W(CN)8](3-) and mpm fragments (strongly bonded H2O). The strong optical activity of (R)- and (S)-1 together with continuous chirality measure (CCM) analysis confirms the chirality transfer from enantiopure (R)- and (S)-mpm to [Co(mpm)2(μ-NC)2] units, a cyanido-bridged skeleton, and to the whole crystal lattice.

Phase Behavior and Dynamics of the Liquid Crystal 4'-butyl-4-(2-methylbutoxy)azoxybenzene (4ABO5*).

The results of dielectric relaxation spectroscopy and polarizing microscope observation of the 4'-butyl-4-(2-methylbutoxy)azoxybenzene (abbreviated as 4ABO5*) are presented. Numerical analysis of the dielectric spectra results points to complex dynamics of 4ABO5* molecules in isotropic, cholesteric, and crystalline phases. Two well-separated maxima on the imaginary part of dielectric permittivity and the third low frequency relaxation process, hidden in the conductivity region, were detected and described in cholesteric and crystalline phases.

Charge transfer phase transition with reversed thermal hysteresis loop in the mixed-valence Fe9[W(CN)8]6·xMeOH cluster.

A bimetallic pentadecanuclear cyanido-bridged {Fe9[W(CN)8]6 (MeOH)24}·xMeOH cluster of an Fe(II/III)-W(IV/V) mixed valence nature, reveals a reversible single-crystal-to-single-crystal transformation, concomitant with metal-to-metal charge transfer between Fe and W ions. The dominance of (HS)Fe(II)-NC-W(V) units at a high temperature, and (HS)Fe(III)-NC-W(IV) units at a low temperature, leads to an unprecedented reversed thermal hysteresis loop in magnetic measurements.