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When a liquid is rapidly cooled below its melting point without inducing crystallization, its dynamics slow down significantly without noticeable structural changes. Elucidating the origin of this slowdown has been a long-standing challenge. Here, we report a theoretical investigation into the mechanism of the dynamic slowdown in supercooled water, a ubiquitous yet extraordinary substance characterized by various anomalous properties arising from local density fluctuations. Using molecular dynamics simulations, we found that the jump dynamics, which are elementary structural change processes, deviate from Poisson statistics with decreasing temperature. This deviation is attributed to slow variables competing with the jump motions, i.e., dynamic disorder. The present analysis of the dynamic disorder showed that the primary slow variable is the displacement of the fourth nearest oxygen atom of a jumping molecule, which occurs in an environment created by the fluctuations of molecules outside the first hydration shell. As the temperature decreases, the jump dynamics become slow and intermittent. These intermittent dynamics are attributed to the prolonged trapping of jumping molecules within extended and stable low-density domains. As the temperature continues to decrease, the number of slow variables increases due to the increased cooperative motions. Consequently, the jump dynamics proceed in a higher-dimensional space consisting of multiple slow variables, becoming slower and more intermittent. It is then conceivable that with further decreasing temperature, the slowing and intermittency of the jump dynamics intensify, eventually culminating in a glass transition. [ABSTRACT FROM AUTHOR]

Advances in cryobiology techniques commonly target either the cooling or the warming cycle, while little thought has been given to ≪repair≫ protocols applicable during cold storage. In particular, crystallization is the dominant threat to cryopreserved samples but proceeds from small nuclei that are innocuous if further growth is forestalled. To this end, we propose a laser editing technique that locally heats individual crystals above their melting point by a focused nanosecond pulse, followed by amorphization during rapid resolidification. As a reference, we first apply the approach to ice crystals in cryoprotected solution and use Raman confocal mapping to study the deactivation of crystalline order. Then, we examine dimethyl sulfoxide trihydrate crystals that can germinate at low temperatures in maximally freeze concentrated regions, as commonly produced by equilibrium cooling protocols. We show how to uniquely identify this phase from Raman spectra and evidence retarded growth of laser-edited crystals during warming. [ABSTRACT FROM AUTHOR]

Nanoconfined water plays an important role in broad fields of science and engineering. Classical molecular dynamics (MD) simulations have been widely used to investigate water phases under nanoconfinement. The key ingredient of MD is the force field. In this study, we systematically investigated the performance of a recently introduced family of globally optimal water models, OPC and OPC3, and TIP4P/2005 in describing nanoconfined two-dimensional (2D) water ice. Our studies show that the melting points of the monolayer square ice (MSI) of all three water models are higher than the melting points of the corresponding bulk ice Ih. Under the same conditions, the melting points of MSI of OPC and TIP4P/2005 are the same and are ∼90 K lower than that of the OPC3 water model. In addition, we show that OPC and TIP4P/2005 water models are able to form a bilayer AA-stacked structure and a trilayer AAA-stacked structure, which are not the cases for the OPC3 model. Considering the available experimental data and first-principles simulations, we consider the OPC water model as a potential water model for 2D water ice MD studies. [ABSTRACT FROM AUTHOR]

Lithium foils were demonstrated to absorb surrogate protium for tritium-powered betavoltaics. 20 μ m thick lithium foils were hole-punched from a ribbon of electrodeposited lithium on copper foil. The lithium foils were loaded with hydrogen in a custom Sievert apparatus where the pressure drop showed full hydriding at a hydrogen pressure of 2 bar and at all loading temperatures above the lithium melting point at 190, 200, 225, 250, and 300. Lithium hydride formation was confirmed with Raman spectroscopy after hydrogen loading. The kinetics of experimental hydride formation was compared to the diffusion-limited Mintz–Bloch model. While the Mintz–Bloch model showed good fit with the experimental loadings, the model overpredicted the loading kinetics starting at 250 °C and at higher temperatures. The overprediction was either caused by lithium hydride outgassing due to some reduction with some residual lithium hydroxide created from brief air exposure when sealing the lithium in the reactor or a transition from diffusion-limited hydride growth to surface or metal–hydride interface-limited hydride growth. [ABSTRACT FROM AUTHOR]

A model has been developed to predict the response of an eddy current flow meter (ECFM) to the passage of a non-conductive inclusion moving in a cylindrical tube filled with a liquid metal. The model can be solved analytically for small inclusion diameters and moderate AC frequencies of the excitation signal. This condition is expressed as v b S ω ≪ 1 , where v b is the dimensionless inclusion volume and S ω is a function of the ratio between the characteristic length of the system and the penetration depth of the magnetic field. The magnetic induction equation for this problem has also been solved numerically. A very good agreement between the analytical model and numerical solutions has been found for v b S ω ≪ 1. Two experimental setups have been designed. First, the ECFM model has been validated by comparing the response due to the passage of traveling beads of known diameters in a low melting point alloy. In a second experiment, the diameters of ascending argon bubbles have been estimated with the ECFM model. The numerical model predicts the gas volume with very good accuracy in the range of bubble diameters studied, between 1.5 and 6 mm, while the analytical model only deviates significantly from the experimental data when v b S ω ≳ 0.1. Moreover, we establish that the ECFM can also measure the radial deviation of the bubble trajectory, and the results are consistent with the theoretical limit for isolated bubbles between the regimes of oscillating/zigzag motion of ellipsoidal bubbles and non-oscillating motion of spherical bubbles. Another observation is that the dependence of the ECFM response on the shape of the bubble is negligible; indeed, the ECFM response is well approximated by a linear relation with the bubble volume as is assumed in the analytical model. Finally, an estimation of the terminal rising velocity of bubbles was also carried out. [ABSTRACT FROM AUTHOR]

Alchemical free energy calculations via molecular dynamics have been applied to obtain thermodynamic properties related to solid–liquid equilibrium conditions, such as melting points. In recent years, the pseudo-supercritical path (PSCP) method has proved to be an important approach to melting point prediction due to its flexibility and applicability. In the present work, we propose improvements to the PSCP alchemical cycle to make it more compact and efficient through a concerted evaluation of different potential energies. The multistate Bennett acceptance ratio (MBAR) estimator was applied at all stages of the new cycle to provide greater accuracy and uniformity, which is essential concerning uncertainty calculations. In particular, for the multistate expansion stage from solid to liquid, we employed the MBAR estimator with a reduced energy function that allows affine transformations of coordinates. Free energy and mean derivative profiles were calculated at different cycle stages for argon, triazole, propenal, and the ionic liquid 1-ethyl-3-methyl-imidazolium hexafluorophosphate. Comparisons showed a better performance of the proposed method than the original PSCP cycle for systems with higher complexity, especially the ionic liquid. A detailed study of the expansion stage revealed that remapping the centers of mass of the molecules or ions is preferable to remapping the coordinates of each atom, yielding better overlap between adjacent states and improving the accuracy of the methodology. [ABSTRACT FROM AUTHOR]

Recent studies have provided conclusive evidence for the existence of a liquid–liquid critical point in numerical models of water. Such a scenario implies the competition between two local molecular arrangements of different densities: a high-density liquid (HDL) and a low-density liquid (LDL). Within this context, the development of accurate structural indicators to properly characterize the two interconverting local structures is demanded. In a previous study, we introduced a reliable energy-based structural descriptor that properly discriminates water molecules into tetrahedrally arranged molecules (T molecules) and distorted molecules (D molecules). The latter constitute defects in terms of hydrogen bond (HB) coordination and have been shown to represent a minority component, even at high temperatures above the melting point. In addition, the D molecules tend to form high-quality HBs with three T molecules and to be surrounded by T and D molecules at further distances. Thus, it became evident that, while the LDL state might consist of a virtually pure T state, the HDL state would comprise mixed molecular arrangements including the D molecules. Such a need to abandon the single-molecule description requires the investigation of the degree of structural information to be incorporated in order to build an appropriate multi-molecule indicator. Hence, in this work, we shall study the effect of the local structural constraints on the water molecules in order to discriminate the different molecular arrangements into two disjoint classes. This will enable us to build a multi-molecule structural indicator for water whose performance will then be investigated within the water's supercooled regime. [ABSTRACT FROM AUTHOR]

The propensity of water to remain in a metastable liquid state at temperatures below its equilibrium melting point holds significant potential for cryopreserving biological material such as tissues and organs. The benefits conferred are a direct result of progressively reducing metabolic expenditure due to colder temperatures while simultaneously avoiding the irreversible damage caused by the crystallization of ice. Unfortunately, the freezing of water in bulk systems of clinical relevance is dominated by random heterogeneous nucleation initiated by uncharacterized trace impurities, and the marked unpredictability of this behavior has prevented the implementation of supercooling outside of controlled laboratory settings and in volumes larger than a few milliliters. Here, we develop a statistical model that jointly captures both the inherent stochastic nature of nucleation using conventional Poisson statistics as well as the random variability of heterogeneous nucleation catalysis through bivariate extreme value statistics. Individually, these two classes of models cannot account for both the time-dependent nature of nucleation and the sample-to-sample variability associated with heterogeneous catalysis, and traditional extreme value models have only considered variations of the characteristic nucleation temperature. We conduct a series of constant cooling rate and isothermal nucleation experiments with physiological saline solutions and leverage the statistical model to evaluate the natural variability of kinetic and thermodynamic nucleation parameters. By quantifying freezing probability as a function of temperature, supercooled duration, and system volume while accounting for nucleation site variability, this study also provides a basis for the rational design of stable supercooled biopreservation protocols. [ABSTRACT FROM AUTHOR]

The dynamics of a liquid and its coupling to a solute are crucial for a better understanding of chemical processes in the liquid phase. In isotropic and homogeneous solutions, the time-correlation function of a solute is expected to vanish over time due to the translational and diffusive motions of the solvent. The three-pulse photon echo peak shift (3PEPS) is a third-order nonlinear spectroscopy technique that records the time-correlation function of a solute molecule in a solution, including an offset (inhomogeneity). In this work, we utilized a diffractive optics-based 3PEPS apparatus to fully resolve the dynamics in liquids from femtoseconds to nanoseconds while varying the temperature in the range of 80–298 K and the probe solute molecules. Our observations reveal dynamics slower than the dielectric relaxation of n-alcohols, even at room temperature, consisting of a ∼0.5 ns time constant that persists below the melting points and a static component (offset) on a nanosecond timescale. Based on the experiments, we suggest that locally formed glass-like clusters in liquids can be responsible for the slow dynamics. Our results may provide new insights into the dynamics of liquids and related phenomena such as liquid-glass and liquid-liquid phase transitions. [ABSTRACT FROM AUTHOR]

We perform numerical and experimental studies on the melting process of thin films initiated by a small hole in the continuum regime. The presence of a nontrivial capillary surface, namely the liquid/air interface, leads to a few counterintuitive results: (1) The melting point is elevated if the film surface is partially wettable, even with a small contact angle. (2) For a film that is finite in size, melting may prefer to start from the outer boundary rather than a hole inside. (3) More complex melting scenarios may arise, including morphology transitions and the "de facto" melting point being a range instead of a single value. These are verified by experiments on melting alkane films between silica and air. This work continues a series of investigations on the capillary aspects of melting. Both our model and analysis approach can be easily generalized to other systems. [ABSTRACT FROM AUTHOR]

Luminescence thermometry is the most versatile remote temperature sensing technique and can be employed from living cells to large surfaces and from cryogenic temperatures to the melting points of metals. Ongoing research aims to optimize the sensitivity of the ratio between the emission intensity from two coupled excited states. However, this approach is inherently limited to temperature-dependent processes involving only the excited states. Here, we develop a novel measurement technique, called luminescence intensity ratio squared (LIR2) for the Yb3+/Er3+ pair, that combines the temperature sensitivity of ground- and excited-state populations. We use Y3Al5O12:Er3+,Yb3+ nanoparticles as a promising model system with both visible and infrared emissions. To apply our method, we record two luminescence spectra at different excitation wavelengths and determine the LIR2 using one emission in each of the two spectra. The LIR2 testing with Y3Al5O12 nanoparticles showed a sensitivity increase of 70% in the visible region and an impressive 230% increase in the NIR region compared to the conventional LIR method. This enhances the measurement precision by a factor of 1.5–2.5. The LIR2 based on the visible upconversion emission is particularly useful for measurements of high temperatures, while the LIR2 based on the downshifted ∼1.5 μm emission may revolutionize temperature measurements of biological samples in the range of physiological temperatures. [ABSTRACT FROM AUTHOR]

The melting line of the Weeks–Chandler–Andersen (WCA) system was recently determined accurately and compared to the predictions of four analytical hard-sphere approximations [Attia et al., J. Chem. Phys. 157, 034502 (2022)]. Here, we study an alternative zero-parameter prediction based on the isomorph theory, the input of which are properties at a single reference state point on the melting line. The two central assumptions made are that the harmonic-repulsive potential approximates the WCA potential and that pair collisions are uncorrelated. The new approach gives excellent predictions at high temperatures, while the hard-sphere-theory based predictions are better at lower temperatures. Supplementing the WCA investigation, the face-centered-crystal to fluid coexistence line is determined for a system of harmonic-repulsive particles and compared to the zero-parameter theories. The results indicate that the excellent isomorph-theory predictions for the WCA potential at higher temperatures may be partly due to a cancellation of errors between the two above-mentioned assumptions. [ABSTRACT FROM AUTHOR]

This paper presents experimental results concerning the one-step preparation of cast divanadium nitride and aluminum oxynitride (AlON) by high-temperature synthesis under 5 MPa of N 2 from green mixtures containing vanadium oxide, aluminum, and aluminum nitride. It was shown that the mixtures with a wide range of component ratios are capable to burn with the temperature exceeding the melting point of the final products, divanadium nitride and aluminum oxynitride, that makes it possible to obtain them in the form of a melt with subsequent separation of vanadium nitride (lower ingot) and aluminum oxynitride (upper ingot). The resulting products had no cohesion and were easily separated from each other. Variation in the content of aluminum nitride in the charge markedly affected the synthesis process, phase composition, and microstructure of the target products. The content of excess aluminum nitride in the starting mixture α = 10% was found to be optimum on a yield/composition of the target products. [ABSTRACT FROM AUTHOR]

We have successfully grown single crystals of layered mixed-anion compound Sr 2 ZnCu 2 Se 2 O 2 by a simple melt-growth method. Single crystals of the layered oxychalcogenides Sr 2 ZnCu 2 Se 2 O 2 were grown by melt-solidification of stoichiometric raw materials. Plate-like single crystals were obtained, and the maximum size of crystals was 2.5 × 1.4 mm2. Thermal analysis result indicates simple melting-solidification-like behavior, and the size of crystals increases significantly above the melting point revealed by this measurement. X-ray rocking curve (XRC) measurement results of the single crystal showed no peak splitting, with a narrow full width half maximum of 30 and 97 arcsec in (105) and (00 12) peaks, respectively. The electrical conductivity of single crystals on the a (b) plane was 4.34 × 10−1 S/cm at room temperature. Obtained single crystals were transparent, and the absorption edge was observed around 560 nm in the transmittance measurement. Although layered oxychalcogenide Sr 2 ZnCu 2 Se 2 O 2 has a complex composition and structure, this compound exhibits congruent melting behavior in a sealed environment. This feature enables us to grow single crystals of mixed-anion compounds easily by the melt-growth method. [ABSTRACT FROM AUTHOR]

The activation of thermal batteries requires plentiful heat to melt the ambient solid electrolyte into an ionic conductor with high ionic conductivity for large current discharge. The process necessitates massive heating powder to provide heat, severely reducing the effective specific energy of the thermal battery. To decrease energy consumption, we developed the LiCl–LiBr–KBr–CsBr molten salt with low melting point of 239 °C, fusion enthalpy at 59.08 J/g, specific heat capacity of 0.38 J/K·g and 0.88 J/K·g in the solid and liquid states, correspondingly, which takes 44% less heat to reach the operating temperature (generally 500 °C) compared to the commonly used LiF–LiCl–LiBr electrolyte. These reductions not only enable the battery to discharge across a broad temperature range, but also lessens the quantity of pyrotechnic heating pellets and enhances the thermal battery's overall specific energy and safety. [ABSTRACT FROM AUTHOR]

A novel quinoxaline-based phthalonitrile monomer, namely, 4,4′-(((quinoxaline-2,3-diylbis (oxy))bis (3,1-phenylene))bis (oxy))di-phthalonitrile (QDOP), was successfully synthesized by nucleophilic substitution reaction, which exhibits a low melting point (85°C) and a wide processing window (150°C). The QDOP monomer was cured with 4-aminophenoxy phthalonitrile (APPH) as catalyst by different temperature programs, and the curing process and kinetics were discussed in detail by non-isothermal differential scanning calorimetric (DSC). The QDOP polymer mainly forms triazine, isoindoline and phthalocyanine structure, as revealed by Fourier transform infrared (FTIR) spectroscopy, and its properties improved with the increase of post-curing temperature and curing time. After post-curing at 380°C, the polymer exhibited high storage modulus (3731 MPa), high glass-transition temperature (>400°C), and outstanding thermal stability and thermal oxidation stability. [ABSTRACT FROM AUTHOR]

The quality 2-amino-5-chloropyridinium 4-aminobenzoate (2A5ClP4AB) single crystals were grown in methanol solvent by employing the solvent evaporation technique. The stoichiometry ratio of 2A5ClP4AB was confirmed by microanalysis. The melting point, decomposition, crystalline phase, purity, and specific heat capacity of 2A5ClP4AB crystal were explored by thermogravimetric-differential thermal analyses (TG–DTA), differential scanning calorimetry (DSC), and modulated scanning calorimetry (MDSC) methods. The various dielectric properties of 2A5ClP4AB single crystal concerning temperature and frequency were examined by dielectric measurements. The nonlinear optical (NLO) parameters such as dipole moment, polarizability, first-order hyperpolarizability, and second-order hyperpolarizabilities of the 2A5ClP4AB molecule were computed using density functional theory (DFT) by utilizing the Gaussian 09 program. The figured HOMO–LUMO energies of 2A5ClP4AB demonstrate the occurrence of a charge transfer mechanism, whereas the MESP map illustrates how various molecular interactions took place in it. Hirshfeld surface analyses helped to decode the nature of the interactions and packing structure of the crystals. The above studies were intended to explore the structural, thermal, electrical and NLO properties of 2A5ClP4AB and also to strengthen its effectiveness for optoelectronic and frequency conversion applications. [ABSTRACT FROM AUTHOR]

Polyvinylidene fluoride (PVDF) membranes were created utilizing the non-solvent-induced phase separation (NIPS) approach in this study, then gamma-ray irradiation was applied to form the PVDF-g-PMAM membrane. FTIR and XPS were used to examine the chemical structure of the membrane before and after irradiation. The DSC curves of membranes showed that grafting poly methylacrylamide (PMAM) caused a drop in the melting point of the modified PVDF-g-PMAM membrane. The SEM characterization showed that gamma-ray irradiation did not damage the microstructure of the membrane cross-section, and the distribution of micropores on the membrane surface was more dense and uniform. The insertion of hydrophilic PMAM greatly accelerates the initial contact angle and contact angle decline rate of the PVDF-g-PMAM membrane, illustrating that the membrane's hydrophilicity has been effectively improved. Finally, after testing of permeability and rejection of different membranes, the result demonstrated good anti-fouling performance. [ABSTRACT FROM AUTHOR]

In this study, the UiO-66-NH2@PMAA metal-organic framework was prepared by using a hydrothermal reaction coupled with the gamma-ray irradiation method. The chemical structure of the product was studied using FTIR and XPS before and after irradiation, indicating the efficient development of the grafting reaction. The DSC results revealed a drop in the melting point of UiO-66-NH2@PMAA material, which might be attributed to PMAM grafting. Following that, different MOF materials were suction-filtered onto the surface of the membrane, and the alteration of their contact angle with time was recorded, indicating the enhancement of UiO-66-NH2@PMAA materials' hydrophilicity. The modified MOF material has better dispersibility in aqueous solutions, providing reference significance for its application in related fields. [ABSTRACT FROM AUTHOR]

Synthetic heat transfer fluids are of immense importance for solar thermal application due to its low vapour pressure, low melting point and high heat capacity. Commonly used synthetic heat transfer fluids are biphenyl and diphenyloxide mixture, imidazolium ionic liquid and terphenyl based chemistry. However these fluids are not found effective above 400 °C operating temperatures as they tend to degrade. As per literature inputs polyaromatic based molecules like 1-phenylnaphthalene (1-PNP) and 2-methy-l-phenylnaphthalene have thermal stability above 400 °C. In the present research work a simple, efficient and environmentally benign procedure of Suzuki coupling is employed for the synthesis of these molecules in the presence of ligand free refinery Pd-spent catalyst in water. The catalyst was found to be recyclable up to 3 times without any loss of efficiency. The synthesized polyaromatic based heat transfer fluid molecules in the presence of radical quencher which indicates their potential for high temperature application. Thermal stability of synthesized polyaromatic based heat transferred fluid was enhanced by free radical quencher. So as to apply the fluid for high temperature usage. [ABSTRACT FROM AUTHOR]

In this study we prepared a poly(lactic acid)/ethyl cellulose (PLA/EC) bioplastic blend film by melt pressing after solvent casting and investigated the optical, thermal, and mechanical properties in relation to the structural changes revealed by various microscopies and scattering measurements. Despite the immiscibility of PLA and EC, the blend film exhibited good optical transparency due to the close match in their refractive indices. A second run of differential scanning calorimetry during heating revealed a decrease in the glass transition temperature ( T g PLA ) and melting point ( T m PLA ) of PLA with EC although EC had the higher values. Thermomechanical analysis suggested that these decreases were due to the negative pressure generated due to the suppression of PLA shrinkage below T g EC and above T g PLA during cooling. Furthermore, ductile drawing of the blend film (70/30) at an optimal temperature of 70 °C above T g PLA resulted in a uniform whitening near 100% strain. Delamination at the interface between the PLA matrix and EC domain led to the formation of micrometer-sized oriented voids, which enhanced the refractive index difference in the phase-separated structure, thereby scattering light and achieving the uniform and oriented white blend film. [ABSTRACT FROM AUTHOR]

Zirconium (Zr)-based alloys are widely used as fuel cladding material for light water reactors. Under a loss-of-coolant accident (LOCA) condition, the oxidation of fuel cladding by high-temperature steam induces the degradation of mechanical properties of the cladding and would affect the integrity of fuel rods and/or assemblies, etc., during LOCA. In this study, the distribution of the elements (zirconium, oxygen, tin, iron and chromium) in Zircaloy-4 cladding specimens oxidized in the temperature range of ~ 1350– ~ 1700 K in steam was analyzed along the radial direction of the specimens by using SEM/EPMA, and the cause of element distribution in the specimens was discussed in consideration of the morphology of precipitates in the specimens and hypothesized phase diagrams related to the elements contained in the specimens. The form of the particles precipitated and the comparison between SEM/EPMA results and hypothesized phase diagrams of Zr–Sn–O system suggested that the liquefaction of tin-rich material and/or Zr–(Fe,Cr) compounds occurred during the oxidation test. The results obtained indicate that Zircaloy-4 cladding tubes would start melting at the melting point of tin-oxide and the eutectic point of Zr-(Fe,Cr) compounds, which is much lower than the melting point of Zr, α-Zr(O), or zirconium oxide (ZrO2). [ABSTRACT FROM AUTHOR]

The cold‐sintering process (CSP) uses a transient low‐temperature solvent, such as water or water with dissolved solutes consistent with the ceramic composition, to achieve functionalization at lower temperatures via the dissolution and precipitation principle. Here, during the CSP, the use of molten NaOH as a flux solvent promoted the rearrangement and precipitation of CaYNbMnO7 particles. CaYNbMnO7 ceramics were successfully obtained at 350°C and under a uniaxial pressure of 700 MPa. The ceramic was not a single‐phase structure but consisted of a cubic‐phase structure and a layered perovskite structure. To verify the high‐temperature thermal stability of CaYNbMnO7 ceramic prepared at 350°C, a comparative study was conducted with conventional sintering (CS). Results indicate that the ceramics obtained by CSP and CS have negative temperature coefficient characteristics. The cold‐sintered ceramic has a wider temperature range and better aging stability. (The minimum value of the aging coefficient is ∼2.49%.) Simultaneously, CSP is beneficial for promoting the linearization of the relationship between the logarithm in the resistivity (lnρ) and the reciprocal for the absolute temperature (1000/T) in the ceramic. However, the CSP has little effect on the material constant B and thermal activation energy Ea of the ceramic, providing a basis for the low‐temperature synthesis of high melting point thermosensitive ceramics. [ABSTRACT FROM AUTHOR]

Chemical recycling of polymers to monomers presents a promising solution to the escalating crisis associated with plastic waste. Despite considerable progress made in this field, the primary efforts have been focused on redesigning new monomers to produce readily recyclable polymers. In contrast, limited research into the potential of seemingly "non‐polymerizable" monomers has been conducted. Herein, we propose a paradigm that leverages a "chaperone"‐assisted strategy to establish closed‐loop circularity for a "non‐polymerizable" α, β‐conjugated lactone, 5,6‐dihydro‐2H‐pyran‐2‐one (DPO). The resulting PDPO, a structural analogue of poly(δ‐valerolactone) (PVL), exhibits enhanced thermal properties with a melting point (Tm) of 114 °C and a decomposition temperature (Td,5%) of 305 °C. Notably, owing to the structural similarity between DPO and δ‐VL, the copolymerization generates semi‐crystalline P(DPO‐co‐VL)s irrespective of the DPO incorporation ratio. Intriguingly, the inherent C=C bonds in P(DPO‐co‐VL)s enable their convenient post‐functionalization via Michael‐addition reaction. Lastly, PDPO was demonstrated to be chemically recyclable via ring‐closing metathesis (RCM), representing a significant step towards the pursuit of enabling the closed‐loop circularity of "non‐polymerizable" lactones without altering the ultimate polymer structure. [ABSTRACT FROM AUTHOR]

FeO is an important component in both mantle silicates and core iron alloys. Understanding its melting behavior and physical properties is crucial for exploring the chemistry and physics of our planet. Here we report the melting curve of FeO up to 186 GPa from laser‐heating experiments in a diamond‐anvil cell coupled with synchrotron X‐ray diffraction (XRD) techniques. In‐situ observations of both temperature plateau and changes in XRD patterns were used as primary melting criteria. The ex‐situ examination of a recovered sample shows consistent melting temperatures of FeO with in‐situ determinations. Our melting curve of FeO agrees with existing low‐pressure data within uncertainties and is much lower than earlier experimental results above 100 GPa including those extrapolated by Lindemann's law. Our results indicate that FeO‐rich materials could be present as melts coexisting with surrounding solids in the lowermost mantle, providing plausible explanations to the seismically observed ultra‐low velocity zones. Plain Language Summary: As an endmember of mantle silicates, the melting behavior of FeO is critical to understand the early magma ocean crystallization as well as present mantle signatures. However, the question on the high‐pressure melting curve of FeO remains because of the use of different melting criteria in earlier experiments. In this study, we conducted melting experiments on FeO up to 186 GPa in a laser‐heated diamond‐anvil cell using both in‐situ synchrotron X‐ray diffraction techniques and supplementary ex‐situ analyses of a recovered sample. Our results show that the melting temperature of FeO is 3,440 ± 250 K at 135 GPa, the Earth's core‐mantle boundary (CMB) pressure. The MgO‐FeO‐SiO2 melting phase diagram shows that fractional crystallization of mantle silicate melts would end up with a cotectic ternary minimum containing up to 95 mol% FeO, which would have a similar or slightly lower melting temperature than FeO. Considering the temperature at present‐day CMB, we anticipate that FeO‐rich materials, possible products of late‐stage magma ocean crystallization, would still exist as melts with surrounding solids at the bottom of the mantle. Due to its liquid nature and high density, the existence of FeO‐rich melts above the CMB could provide important insights for explaining the seismologically observed ultra‐low velocity zones. Key Points: The melting curve of FeO was determined up to 186 GPa based on in‐situ observations with supplementary ex‐situ examinationsOur determined melting temperature of FeO is much lower than earlier experimental results above 100 GPaAt the late magma ocean crystallization, the residual FeO‐rich materials could exist as melts in the lowermost mantle and explain ultra‐low velocity zones [ABSTRACT FROM AUTHOR]

There is an essential clinical need to develop rapid process scaffolds to repair bone defects. The current research presented the development of calcium zirconium silicate/polycaprolactone for bone tissue engineering utilising melt extrusion-based 3D printing. Calcium zirconium silicate (CZS) nanoparticles were added to polycaprolactone (PCL) porous scaffolds to enhance their biological and mechanical properties, while the resulting properties were studied extensively. No significant difference was found in the melting point of the samples, while the crystallisation temperature points of the samples containing bioceramic increased from 36.1 to 40.2 °C. Thermal degradation commenced around 350 °C for all materials. According to our results, increasing the CZS content from 0 to 40 wt.% (PC40) in porous scaffolds (porosity about 55–62%) improved the compressive strength from 2.8 to 10.9 MPa. Furthermore, apatite formation ability in SBF solution increased significantly by enhancing the CZS percentage. According to MTT test results, the viability of MG63 cells improved remarkably (~29%) in PC40 compared to pure PCL. These findings suggest that a 3D-printed PCL/CZS composite scaffold can be fabricated successfully and shows great potential as an implantable material for bone tissue engineering applications. [ABSTRACT FROM AUTHOR]

In recent decades, there has been growing interest in the thermal conversion of various alternative fuels, such as biomass and waste-derived fuels. One of the technological solutions for the so-called direct co-combustion of fuels is to create mixtures of various fuels, called mixed secondary fuel. However, mixed secondary fuel has different properties compared to primary fuels. Due to this, by properly selecting the types and proportions of mixtures, it is possible to eliminate their potentially negative impact on both combustion technology and the natural environment. In this paper, we decided to prepare mixed secondary fuel by mixing sunflower husk pellets with RDF (refuse-derived fuel) in a ratio of 1:1 and then analyze the combustion process of the produced fuel in fluidized bed conditions. The results obtained on the basis of the presented research indicate that the mixed secondary fuel eliminated the impact of alkali metal compounds on reducing the melting point of ash and, consequently, on the combustion process of the mixed secondary fuel. An additional benefit is the reduction of emissions of harmful compounds into the atmosphere occurring during the combustion of municipal waste and compliance with the concept of the circular economy. [ABSTRACT FROM AUTHOR]

Network microstructure titanium matrix composites (NMTMCs), featuring Ti6Al4V as the matrix and network-distributed TiB whiskers (TiBw) as reinforcement, exhibit remarkable potential for diverse applications due to their superior physical properties. Due to the difficulty in machining titanium matrix composites, electrical discharge machining (EDM) stands as one of the preferred machining techniques for NMTMCs. Nevertheless, the compromised surface quality and the recast layer significantly impact the performance of the workpiece machined by EDM. Therefore, for the purpose of enhancing the surface quality and restraining the defects of NMTMCs, this study conducted comparative EDM milling experiments between NMTMCs and Ti6Al4V to analyze the effects of discharge capacitance, charging current, and pulse interval on the surface roughness, recast layer thickness, recast layer uniformity, and surface microcrack density of both materials. The results indicated that machining energy significantly influences workpiece surface quality. Furthermore, comparative experiments exploring the influence of network reinforcement on EDM milling revealed that NMTMCs have a higher melting point, leading to an accumulation phenomenon in low-energy machining where the reinforcement could not be completely removed. The residual reinforcement in the recasting layer had an adsorption effect on molten metal affecting the thermal conductivity and uniformity within the recasting layer. Finally, specific guidelines are put forward for optimizing the material's surface roughness, recast layer thickness, and uniformity, along with minimizing microcrack density, which attain a processing effect that features a roughness of Ra 0.9 μm, an average recast layer thickness of 6 μm with a range of 8 μm, and a surface microcrack density of 0.08 μm−1. [ABSTRACT FROM AUTHOR]

Ionic liquids are an extraordinary group of compounds, fully ionic in structure like inorganic salts but with low melting points, that resemble organic molecular solvents. Their chemical, electrochemical, and thermal stability is what draws the attention and enables their use in many applications, including electrochemical power sources. Even though they are no longer considered eco‐friendly because of nonnegligible toxicity and long bioaccumulation, they can still be efficiently recovered, purified, and reused. These attributes can be harvested to enhance the properties of gel polymer electrolytes for the emerging sodium‐ion batteries. The variety of anions and cations for ILs and their influence on the final properties of the compound opens the road to tuning the properties of gel polymer electrolytes. Ionic liquids as plasticizers constitute a major part of gel polymer electrolytes (average of 70 wt%) and hence, they affect the fundamental properties of gel electrolytes like ionic conductivity and electrochemical window. They also improve the safety features of sodium‐ion batteries, which is relevant for their anticipated applications in stationary energy storage and electric vehicles. The presented review paper aims to explain the relationship between the cation and anion in ionic liquid and the properties of gel electrolytes for sodium‐ion batteries. [ABSTRACT FROM AUTHOR]

This document provides technical information about the synthesis and characterization of a pink solid compound. The compound is synthesized using a literature procedure and has a melting point of 189-190 °C. The document includes data from various analytical techniques, such as IR, NMR, and HRMS, which provide information about the compound's structure and composition. The authors acknowledge the assistance of several individuals and provide a link to additional supporting information. [Extracted from the article]

We performed extensive high-throughput density functional theory (DFT) and thermodynamics calculations that led to the prediction of single-phase stability, mechanical properties, and melting points of a series of superhard high-entropy diborides (HEBs). We constructed a three-dimensional phase diagram using a unique combination of the mixing entropy, mixing enthalpy, melting point, and lattice size difference for the set of 56 equiatomic quinary diborides consisting of transition metals (TM = Ti, Zr, Hf, V, Nb, Ta, Mo, and W). The phase diagram allowed us to predict that all 56 quinary diborides are high-entropy materials, with fourteen already experimentally realized. Our calculations show that, for each of the quinary diborides, the driving force of the formation (the entropy term in the Gibbs free energy of mixing) suppresses the resistance of the formation (the enthalpy term) when the temperature is high (but still well below the melting point), suggesting that it is feasible to synthesize 42 new HEBs. Furthermore, all 56 quinary diborides exhibit high hardness, high fracture toughness, and ultrahigh melting points. In particular, we predict a new superhard high-entropy material, TiZrHfVTaB 10 , with a hardness of approximately 41 GPa. [ABSTRACT FROM AUTHOR]

The Al 2 O 3 –ZrO 2 –C material was prepared using tabular alumina aggregates and fines, zirconia-corundum, zirconia-mullite, flake graphite, B 4 C powder, Si powder and different nano-oxides (nano-ZrO 2 , nano-TiO 2 , and nano-Al 2 O 3) as raw materials, the effects of different nano-oxides on the corrosion resistance and microstructure evolution of Al 2 O 3 –ZrO 2 –C material were investigated. The results showed that the high reactivity nano-ZrO 2 , nano-TiO 2 , and nano-Al 2 O 3 particles reacted with CaO to generate high melting point phases of CaZrO 3 , CaTiO 3 , CaO·6Al 2 O 3 (CA 6) at high temperature, which forms a protective layer at the interface between corroded media and samples, inhibiting CaO penetration into the material. Additionally, nano-oxides can fill the pores and increase the density of material, thereby contributing to improving the penetration resistance and corrosion resistance of material. [ABSTRACT FROM AUTHOR]

Increasing the MgO content in vanadium slag is a prerequisite for implementing slag splashing to protect the furnace. The increase in MgO content will inevitably cause changes in the phase structure of vanadium slag, thereby affecting the extraction of vanadium. In this study, the effect of MgO on the crystallization behavior of the spinel phase in vanadium slag was systematically investigated. It was found that the spinel phases in vanadium slag with high MgO content were mainly FeV2O4, Fe2TiO4, MgV2O4 and Mg2TiO4, and the nucleation and growth rates of the above crystals increased significantly with the increase of FeO/SiO2 ratio and MgO content. With the increase of FeO/SiO2 from 1 to 3, the combined crystallization rate of Fe2TiO4, FeV2O4, and Mg2TiO4 increased by two orders of magnitude, and the total spinel crystallization rate of MgV2O4 and spinel also increased by one order of magnitude. The effect of the MgO content on the crystallization of the crystals was not as significant as the FeO/SiO2 ratio. The optimum crystallization temperature of the total spinel in vanadium slag is determined with MgV2O4, which has the highest melting point, and the optimum crystallization temperature interval is 1500–1650 K. During the cooling process of the vanadium slag, MgV2O4 is first crystallized, then Mg2TiO4 and FeV2O4, and finally Fe2TiO4. When the cooling rate is 5 K min−1 and the temperature drops from 1773 K to 1623 K, the average grain size of the spinel gradually increases, and the growth of the spinel in vanadium slag with high MgO content is controlled by the supply. [ABSTRACT FROM AUTHOR]

In the field of lithium-ion batteries, the challenges posed by the low melting point and inadequate wettability of conventional polyolefin separators have increased the focus on ceramic-coated separators. This study introduces a highly efficient and stable boehmite/polydopamine/polyethylene (AlOOH-PDA-PE) separator. It is crafted by covalently attaching functionalized nanosized boehmite (γ-AlOOH) whiskers onto polyethylene (PE) surfaces. The presence of a covalent bond increases the stability at the interface, while amino groups on the surface of the separator enhance the infiltration of the electrolyte and facilitate the diffusion of lithium ions. The PE-PDA-AlOOH separator, when used in lithium-ion batteries, achieves a discharge capacity of 126 mAh g−1 at 5 C and retains 97.1% capacity after 400 cycles, indicating superior cycling stability due to its covalently bonded ceramic surface. Thus, covalent interface modification is a promising strategy to prevent delamination of ceramic coatings in separators. [ABSTRACT FROM AUTHOR]

Chromium (Cr) metal has garnered significant attention in alloy systems owing to its exceptional properties, such as a high melting point, low density, and superior oxidation and corrosion resistance. However, its processing capabilities are hindered by its high ductile–brittle transition temperature (DBTT). Recently, powder bed fusion-laser beam for metals (PBF-LB/M) has emerged as a promising technique, offering the fabrication of net shapes and precise control over crystallographic texture. Nevertheless, research investigating the mechanism underlying crystallographic texture development in pure Cr via PBF-LB/M still needs to be conducted. This study explored the impact of scan speed on relative density and crystallographic texture. At the optimal scan speed, an increase in grain size attributed to epitaxial growth was observed, resulting in the formation of a <100> cubic texture. Consequently, a reduction in high-angle grain boundaries (HAGB) was achieved, suppressing defects such as cracks and enhancing relative density up to 98.1%. Furthermore, with increasing densification, Vickers hardness also exhibited a corresponding increase. These findings underscore the efficacy of PBF-LB/M for processing metals with high DBTT properties. [ABSTRACT FROM AUTHOR]

This article discusses the synthesis of key intermediates for the production of fluoroquinolones, a group of antibiotics. The article compares two existing synthetic routes for these intermediates and highlights their limitations. The authors then propose a new synthetic route that utilizes a cheaper starting material and achieves a higher overall yield. The new route is described in detail, including the experimental procedures and results. The authors acknowledge the financial support they received for this research. [Extracted from the article]

This article discusses the development of an improved and eco-friendly synthesis method for (R)-5,7-difluorochroman-4-ol, a key intermediate in the production of Tegoprazan, a medication used to treat acid-related diseases. The researchers optimized the reaction conditions and achieved a high yield and purity of the desired product using lipase-catalyzed resolution and Mitsunobu inversion. This method shows promise for practical use in the green synthesis of Tegoprazan due to its efficiency and environmental sustainability. The document provides a detailed account of the synthesis process and acknowledges financial support from the CQMU Program for Youth Innovation in Future Medicine. [Extracted from the article]

This article discusses the synthesis of trifluoromethyl-1H-benzo[f]chromenes, compounds with important biological properties and potential applications in various fields. The authors propose the use of Kit-6-NH2@schiff base complex magnetic nanoparticles as a catalyst for the synthesis of these compounds. They optimize the reaction conditions and achieve high yields. The compounds are characterized using various spectroscopic techniques. The authors acknowledge financial support and report no potential conflict of interest. [Extracted from the article]

This article presents research on the synthesis and evaluation of new compounds as potential anticancer agents. The compounds, derived from N-(benzo[d]thiazol-2-yl)-3-amino-but-2-enamide, were synthesized and characterized using various techniques. Molecular modeling and docking studies were conducted to understand their interactions with DNA. The compounds showed significant cytotoxic activity against lung cancer cells, with one compound being particularly effective. The authors acknowledge the support they received from the National Institute for Medical Research Development. [Extracted from the article]

This article discusses the synthesis of novel azo-linked 1,2,4-triazolidine-3-ones (thiones) using a recyclable Fe3O4@SP@vanillin@thioglycolic acid magnetic nanocomposite. The researchers aim to utilize greener methods in their synthetic processes, and nanocatalysts play a crucial role in achieving this goal. The study demonstrates that Fe3O4@SP@vanillin@thioglycolic acid MNC is an effective catalyst for the synthesis of the title compounds, with high yields and short reaction times. The article also investigates the recyclability of the catalyst, finding that it can be re-used multiple times with only a slight decrease in product yield. Overall, the Fe3O4@SP@vanillin@thioglycolic acid MNC catalyst is a new, greener, and re-usable catalyst for synthesizing these novel compounds. The document also provides information on the synthesis and characterization of various compounds, including their melting points, infrared spectra, and nuclear magnetic resonance spectra. The authors acknowledge the Research Council of Rasht Branch, Islamic Azad University, for their support. [Extracted from the article]

Hybrid tin halides with formamidinium cations become a promising candidate for eco‐friendly solar cells, which achieves the best photovoltaic performance among various lead‐free perovskite solar cells (PSCs). Unfortunately, the low quality of perovskite layers and the oxidation of Sn2+ ions degrade the performance of devices, leading to an obviously lower power conversion efficiency (PCE) compare to hybrid lead halides. Additive engineering is a facile strategy for improving the quality of perovskite layers. In this work, the 2‐aminopyrazine (APZ) additive is investigated for depositing FA0.8PEA0.2SnI2.8Br0.2 layers, and corresponding PSCs are examined. It is found that the melting point of APZ additives drops below the annealing temperature of perovskite layers by the intermolecular interaction with formamidinium iodide (FAI). The melt phase at the grain boundaries encourages the diffusion of ions in the annealing process, leading to an improved quality of perovskite layers. And the formation of APZ‐SnI2 complex also inhibits the oxidation of Sn2+ ions. Consequently, the defect density and the recombination are significantly reduced in PSCs, resulting in an increase of PCEs from 11.4% to 13.0% and a simultaneous improvement of device stability. This work demonstrates a strategy for improving tin‐based PSCs based on melt assisted annealing and coordination interaction. [ABSTRACT FROM AUTHOR]

This research introduces an eco‐friendly and innovative technique for efficiently producing p‐tolylmethanol derivatives 4(a–k) using electro‐organic synthesis based on the Grignard reaction. By employing electrochemical methods, this approach offers several advantages, including enhanced reaction efficiency and reduced environmental impact. The process involves the electrochemical generation of the Grignard reagent, followed by its reaction with appropriate substrates to yield the desired p‐tolylmethanol derivatives. Our team optimized various reaction parameters like choice of solvent, electrode material, and reaction conditions to achieve high yields and selectivity. The developed electro‐organic method demonstrated outstanding efficiency and presents a fresh and environmentally conscious approach to synthesizing p‐tolylmethanol derivatives from benzaldehyde 1(a–e) and bromobenzene 2(a–h) via the Grignard reaction, yielding excellent results (85–93%). The resulting compounds were comprehensively characterized using melting point, 1H NMR spectroscopy, and CHN analysis to verify their structures. This electro‐organic approach holds significant potential as a sustainable strategy for synthesizing valuable organic compounds. [ABSTRACT FROM AUTHOR]

In this literature, the synthesis of indeno[1,2‐b]indolone from starting materials of ninhydrin, derivatives of aniline, and dimedone by using copper ferrite anchored to chitosan bearing Schiff base (CuFe2O4@CS‐SB) as a catalyst in water solvent under ultrasound irradiation was described. This catalyst was designed, fabricated, and characterized by the FT‐IR, 1H NMR, XRD, SEM, TGA, mapping scan, EDX, and BET techniques. This prepared acidic, effective heterogeneous catalyst catalyzed green synthesis of indeno‐indolone derivatives in a very short reaction times between 1 and 7 min with excellent yields between 95% and 99%. Also, the FT‐IR, 1H NMR, and melting point analyses are used to identify the synthesis of the indolones as organic products. [ABSTRACT FROM AUTHOR]

In this study, a new heterogeneous nanocatalyst Cu@Zeo-Arg was prepared by functionalizing NaY nanozeolite with arginine and then by immobilizing copper metal ions on its surface. The formation of the synthesized nanocatalyst has been thoroughly investigated and confirmed by various analyses such as TGA, FT-IR, CHN, BET, XRD, SEM, ICP, DLS, and EDS mapping. The prepared nanocatalyst has special advantages such as easy separation, high stability, recyclability, and reusability. Also, the catalyst was recycled and reused for up to seven consecutive runs without a noticeable decrease in activity. The nanocatalyst activity was investigated in synthesizing 2-amino-4H-pyrans. These compounds were synthesized in good to high yields (72–95%) in ethanol as a green solvent at room temperature within 1 h. The structure of the products was identified and confirmed by measuring the melting points and their 1H NMR, 13C NMR, and FT-IR spectral data. [ABSTRACT FROM AUTHOR]

This research work focuses on the potential usefulness of iron ion-exchanged Indian bentonite for one-pot synthesis of 3,4-dihydropyrimidine-2(1H)-thiones. Our goal was to produce mesoporous Fe3+-exchanged Indian clay (Fe3+-ExIC) and its supported forms through a wet impregnation technique. The physicochemical properties of the catalysts, such as XRD, FTIR, TGA, physisorption studies, SEM, and acidity, were investigated. It was found that Fe3+-ExIC catalysts are efficient and reusable acidic heterogeneous catalysts for the synthesis of 3,4-dihydropyrimidine-2(1H)-thiones by refluxing aldehyde, methyl acetoacetate and thiourea with acetonitrile in cyclocondensation. An optimized reaction condition was found for preparing 5-methoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione. A possible mechanism for the synthesis of 3,4-dihydropyrimidine-2(1H)-thiones has been proposed. Melting point, FTIR, and proton NMR were used to identify the products. Adequate catalyst activity was maintained over a period of six cycles, and a reduction in activity was attributed to a decrease in the acidity of the recycled catalyst. [ABSTRACT FROM AUTHOR]

The recent discovery of 1-propanol (CH3CH2CH2OH) in the interstellar medium (ISM) is of tremendous interest since fatty alcohols have been proposed as constituents of proto-cell membranes. Motivated by this discovery, we present the laboratory mid-infrared (MIR) and vacuum ultraviolet (VUV) absorption spectra of 1-propanol ice under astrochemical conditions, mimicking an icy mantle on cold dust in the ISM. Both MIR and VUV spectra were recorded at ultrahigh vacuum of ∼10-9 mbar and at temperatures ranging from 10 K to sublimation. The morphology of the 1-propanol ice deposited at 10 K was amorphous. By warming the ice to temperatures of 140 K and above, with subsequent recording of IR spectra, we observe complete sublimation of 1-propanol molecules from the substrate around 170 K. No amorphous-to-crystalline phase change was observed upon warming to higher temperatures. Additionally, we observe the IR and VUV signatures of 1-propanol ice on the substrate well beyond its melting point (147 K). To the best of our knowledge, this is the first reported observation of a molecular ice staying well beyond its melting point under such conditions. This result shows that the morphology of icy mantles on ISM cold dust grains is more complex than previously thought. Our atomistic molecular dynamics simulations capture the experimental trends and shed light on the microscopic origin of this unusual phase behaviour of 1-propanol. [ABSTRACT FROM AUTHOR]

The importance of polymer-polymer thermoplastic composites is increasing due to ease of recycling. This work investigates the effects of remolding temperature and thermal annealing on the properties of polyethylene (PE) composites containing PA6 and GO/PA6 electrospun nanofibers. Nanocomposite samples were prepared by sandwiching several layers of PA6 or GO/PA6 electrospun mats and PE films in a hot press and subsequently were remolded at varying higher temperatures in a range of 180 to 210°C. Furthermore the remolded samples at 200°C were then annealed at 100°C for 10 h. SEM and DMTA results of the developed samples showed that the application of higher remolding temperatures, close to the melting point of PA6, improves wettability and interfacial strength in the composites. The DSC results of the samples revealed a slight increase in PE crystallinity due to the induced crystallization on the surface of nanofiber mat. It was also observed that an increase in the remolding temperature increases the tensile properties of the composites with the best properties obtained at a remolding temperature of 200°C. Increasing the remolding temperature beyond 200°C decreases the tensile properties of the composites due to melting and geometry degradation of the nanofibers. The results revealed that the annealing of the samples at 100°C for 10 h increases the degree of crystallinity and tensile properties. The highest yield strength, 16.4 MPa, and modulus, 277 MPa, were obtained for the composite containing 10.5 wt% of pure PA6 nanofibers. The elongation and toughness of this composite compared to those of pure matrix were increased by 61% and 83%, respectively. In the remolded and annealed nanocomposites, a crystalline region, as thick as 20 microns, grown on the surface of the nanofiber mat or nanofiber rich region, so called transcrystalline region, was observed by polarized reflected light microscopy. [ABSTRACT FROM AUTHOR]

This work reports the ability of cosolvency and activity coefficient models in the prediction of drugs solubility in methanol + water mixtures by choosing a minimum number of experimental data point. For this purpose, the available solubility datasets of drugs were gathered from papers published from 2012 to 2022 and selected seven number of each dataset as the training data whereas the rest of datapoints were the predictive data. Moreover, the effect number of model's parameters on their accuracies was investigated by training the models with selecting of 12 data points. The results indicated that the accuracy of cosolvency models was better than the activity coefficient models; so that, the simple cosolvency model of Jouyban-Acree which does not require the physicochemical properties of drugs including melting point, fusion enthalpy and also molecular parameters of van der Waals area and volume predicted the drugs solubility with more accuracy (MRDs% of 4.1). [ABSTRACT FROM AUTHOR]

The article discusses the synthesis of thiazole-fused tricyclic quinazolinone alkaloids and their derivatives, focusing on compounds found in traditional Chinese and Indian herbal medicine. The authors describe their synthetic program and the successful synthesis of various thiazole-fused tricyclic quinazolinones. The article provides information on the physical and chemical properties of the synthesized compounds, including melting points, yields, and spectral analysis results. This information can be useful for researchers studying these compounds and their potential applications. [Extracted from the article]