Reversible insulator–metal transition (IMT) and structure phase change in vanadium dioxide (VO2) remain vital and challenging with complex polymorphs. It is always essential to understand the polymorphs that coexist in desired VO2 materials and...
Anti-solvent crystallization of carbapenem CS-023 was performed at 25 °C. The following results were obtained: (1) A solvate crystal, Form A (5/2 Ethanol·1/2 H2O), was recovered from 80 v/v% ethanol solution; (2) Form A transformed to Form...
The formation of high-melting-point Cu6Sn5 interconnections is crucial to overcome the collapse of Sn-based micro-bumps and to produce reliable intermetallic interconnections in three-dimensional (3D) packages. However, because of multiple reflows in...
The properties of semicrystalline polymeric materials depend remarkably on their structures, especially for those exhibiting a polymorphic behavior. This offers an efficient way to tailor their properties through crystal engineering. For control of t...
The implications of various pH solutions in the gastrointestinal fluid system as solvent-mediated phase transitions on concurrent polymorphism transformation, notably metastable polymorphic forms of Efavirenz (EFV), has never been investigated. The i...
This detailed study reveals the relation between structural evolution and the mechanical response of
Pyrazinamide may exist in at least four known polymorphic forms, which were obtained experimentally. One of these polymorphs, (α), shows outstanding mechanical properties, demonstrating a significant anisotropic plasticity in a three-point bend...
We used powder X-ray diffraction (XRD) and ac impedance spectroscopy to investigate the polymorphic phase transitions undergone by the MH2PO4 (M = Cs, K, Rb) proton conductor series upon heating. High-pressure methods used in conjunction with energy...
BaTiO3-based piezoelectric ceramics have attracted considerable attention in recent years due to their tunable phase structures and good piezoelectric properties. In this work, the (1 − x)BaTiO3−xCaSnO3 (0.00 ≤ x ≤ 0.16, abbreviated as BT−xCS) solid...
Typically, protein crystals inherit the polymorphic form selected by nuclei arising in the solution. However, a transition of a polymorphic form may also occur at a later crystal growth stage. Unfortunately, due to the molecular-scale processes invol...
The results obtained from a study of the thermal transformations of polymorphic long-chain normal paraffins (n-C32H66 and n-C36H74) are presented here. The research was performed using a power-compensated Differential Scanning Calorimeter (DSC). Both...
A new polymorph of anhydrous β-cyclodextrin (polymorph III) was obtained and characterized for the first time using powder X-ray diffraction, infrared spectroscopy, and thermal analysis. The solution enthalpy and time of dissolution in water wer...
Two polymorphic forms of a conformationally flexible molecule, 5-[(Diphenylphosphoryl)methyl]-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, were obtained by crystallization and characterized by X-ray diffraction analysis and differential...
The thermal parameters of the phase transitions and transport properties of tetra-n-butylammonium (TBA) perchlorate (n-C4H9)4NClO4 (TBAClO4) were investigated. TBAClO4 has a polymorphous transition at 330 K and melts at 487 K. The structure of the hi...
Conformational and polymorphic states in the nitro-derivative of o-hydroxy acetophenone have been studied by experimental and theoretical methods. The potential energy curves for the rotation of the nitro group and isomerization of the hydroxyl group...
A review of the literature on polymorphic transformations by milling on pharmaceutical materials was carried out. The available information on 18 pharmaceutical materials was compiled. In particular, when data are available, the starting and final cr...
Isosymmetric phase transitions driven by subtle hydrogen-bond rearrangements remain challenging for periodic density functional theory (DFT), particularly when energy differences between polymorphs are small. Resorcinol represents an interesting case...
In this study, 2,6-dimethoxybenzoic acid (2,6MeOBA) was used as a model substance to investigate the use of additives to control the polymorphic outcome of crystallization. 2,6MeOBA exists as three polymorphs. Two of the 2,6MeOBA polymorphs, I and II...
In this work, to systematically investigate the evolution characteristics of electrical properties in polymorphic piezoceramics, the Ba(Ti0.92Zr0.08)O3 ceramics are selected as a paradigm that possesses all the general phase structures above room tem...
Sulfamic acid (SA) is extensively utilised in industry as a component in the production of flameproof materials, a catalyst for swift and highly efficient synthesis, in dye and pigment manufacturing processes, or as herbicide. Under ambient condition...
LiCoPO4 (LCP) exists in three different structural modifications: LCP-Pnma (olivine structure), LCP-Pn21a (KNiPO4 structure type), and LCP-Cmcm (Na2CrO4 structure type). The synthesis of the LCP-Cmcm polymorph has been reported via high pressure/temp...
Fat polymorphism plays a critical role in the structural and functional properties of fat-based food products. However, research on the polymorphism of monoglyceride oleogels remains limited. Previous work demonstrated the impact of composition and p...
We present results on polymorphism and perfection, as observed in the spontaneous crystallization of freely jointed polymers of hard spheres, obtained in an unprecedentedly long Monte Carlo (MC) simulation on a system of 54 chains of 1000 monomers. S...
It is shown that the presence of hundreds of ppm of water in 1,3-dimethylurea (DMU) powder led to the large depression of the transition temperature between the two enantiotropically related polymorphic forms of DMU (Form II → Form I) from 58 &d...
Understanding pressure-induced isosymmetric phase transitions in molecular crystals requires consideration of both structural and thermodynamic factors, particularly in hydrogen-bonded systems. In this work, periodic density functional theory (DFT) c...
To meet the expectations of European consumers, who prioritize agro-environmental factors and local resources, the substitution of fats (palm, coconut, shea) and achieving a balanced fatty acid profile in spreadable fats are gaining more attention. T...
We present a comprehensive structural and thermomechanical investigation of N-salicylideneaniline, a Schiff base derivative that exhibits remarkable thermosalient phase transition behavior. By combining variable-temperature X-ray powder diffraction (...
In this work, the melt crystallization behavior and the solid phase transition of isotactic polybutene (PB) were studied in the polybutene/high-density polyethylene (PB/PE) blends covering the whole composition range. For the dynamic cooling crystall...
In order to elucidate the effect of modification of the hinge region on structural polymorphism associated with conformational transitions, structural studies of hinge-modified oligopeptidase B from Serratia proteamaculans (SpOpBmod) in the crystalli...
The present study was aimed at revealing the influence of the mechanical stress induced by water molecule adsorption on the composition of crystalline phases in the ZrO2 + 3 mol% Y2O3-nanoparticles. Three basic methods were used to determine the phas...
We used synchrotron X-ray diffraction (XRD) and ac-impedance spectroscopy (AIS) to uncover the structural and chemical modifications undergone by RbH2PO4 (RDP) at intermediate temperatures (150 °C < T < 300 °C) and investigate their rel...
Axitinib (AXTN) is an oral tyrosine kinase inhibitor for the treatment of early to advanced renal cell carcinoma. In this work, solvates of AXTN were prepared in five solvents and subjected to desolvation treatment. The crystal form A of AXTN can for...
Exploring the phonon characteristics of novel group-IV binary XC (X = Si, Ge, Sn) carbides and their polymorphs has recently gained considerable scientific/technological interest as promising alternatives to Si for high-temperature, high-power, optoe...
The growth of acetaminophen polymorphic crystals and the solution-mediated phase transition from trihydrate to form II in agarose gel were investigated. The form II crystals grown in gels, presumably because of the agarose content, dissolved less rap...
In this work, detailed information on the phase-transition thermodynamics of the analgesic and antipyretic drug phenazone, also known as antipyrine, is reported. It was found that the compound forms two polymorphs. Fusion thermodynamics of both forms...
Crystals of 1,6-hexanedioic acid (I) undergo a temperature-dependent reversible phase transition from monoclinic P21/c at a temperature higher than the critical temperature (Tc) 130 K to another monoclinic P21/c at temperature lower than Tc. The phas...
NMR spectroscopic literature data are used, in a wide temperature-pressure range (180–350 K and 0.1–400 MPa), to study the water polymorphism and the validity of the liquid–liquid transition (LLT) hypothesis. We have considered the self-diffusion coe...
This work presents a new polymorphic, reusable, and comprehensive mathematical model for COVID-19 epidemic transition cycle dynamics. This model has the following characteristics: (1) The core SEIR model includes asymptomatic and symptomatic infectio...
As part of crystal growth experiments on transition metal oxidotellurates using chemical vapor transport reactions or hydrothermal conditions, single crystals of NiIITeVIO4 and CuIITeIV2O5 were obtained for the first time in the form of new modificat...
Epithelial–mesenchymal transition (EMT), a key event in cancer metastasis, allows polarized epithelial cells to assume mesenchymal morphologies, enhancing invasiveness and migration, and can be induced by reactive oxygen species (ROS). Val16A (Ala) S...
We report the mechanism and scope of “preferential enrichment”, which is an unusual symmetry-breaking enantiomeric resolution phenomenon that is initiated by the solvent-assisted solid-to-solid transformation of a metastable polymorphic form into a t...
Corneal dystrophies (CDs) are a diverse group of inherited disorders with a heterogeneous genetic background. Here, we report the identification of a novel ZNF143 heterozygous missense mutation in three individuals of the same family with clinical an...
Binder remnants in historical mortars represent a record of the connection between the raw materials that enter the kiln, the process parameters, and the end product of the calcination. Raman microspectroscopy combines high structural sensitivity wit...
High-entropy alloys (HEAs) as a new class of alloy have been at the cutting edge of advanced metallic materials research in the last decade. With unique chemical and topological structures at the atomic level, HEAs own a combination of extraordinary...
The existence of sol–gel transitions is one of the most manifest properties of molecular gels. These transitions reflect their nature since they correspond to the association or dissociation of low weight molecules through non-covalent interact...
Different materials, based on an L-rich polylactide (PLA) as matrix, acetyl tri-n-butyl citrate (ATBC) as plasticizer, and mesoporous Mobile Crystalline Material.41 (MCM-41) particles as nucleating agent, were attained by melt extrusion. These materi...
In this study, nano-sized individual Tb2O3 particles synthesized by the laser ablation method were extensively characterized and assessed as suitable precursors for the fabrication of transparent magneto-optical ceramics without requiring the introdu...
Unexpected high risk of synchronous/metachronous hepatocellular carcinoma (HCC) and transitional cell carcinoma (TCC) co-occurrence has been discovered previously. Here, we searched for genetic variation contributing to the co-occurrence of this doub...
Isosymmetric structural phase transition (IPT, type 0), in which there are no changes in the occupation of Wyckoff positions, the number of atoms in the unit cell, and the space group symmetry, is relatively uncommon. Chlorothiazide, a diuretic agent...
In this study, the isothermal crystallization process of poly(l-lactide) (PLLA) has been investigated using in situ XRD, differential scanning calorimetry (DSC), and polarized optical microscopy (POM). Linear and nonlinear extrapolation methods have...
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