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Atom Sums are optimized additive values for the chemical elements which may be used to predict thermochemical values of inorganic solids. Since they are based on the elements of the Periodic Table they are a complete set of parameters, subject only to the availability of reference thermochemical data. In the present publication, optimized data is presented for ambient formula unit volumes, enthalpies, entropies and heat capacities for both inorganic hydrates and anhydrates. These data complement previously published Atom Sum parameters for formation reaction entropies and for formation reaction Gibbs energies as well as complementing earlier data for undifferentiated inorganic solids.

In the initial two publications in this series we established predictive additive Atom Sum thermochemical quantities for inorganic solids for each of the chemical elements. With the chemical elements being a finite set, these data cover the whole of the domain of inorganic solids so far as reference data is currently available.We here introduce a dataset augmented in hydrates, and divide our analysis between the hydrates and anhydrates. The Atom Sum terms are better directed independently to these disparate inorganic groups thus providing improved estimates of the corresponding predicted thermochemical quantities. In this paper we provide both updated formation reaction entropies and previously unpublished Gibbs energies.

The Kachchh Basin is a peri-cratonic rift basin in western India, exposing a vast range of diverse geologic features representing the past 200 million years spanning from the Jurassic Period to the recent. The Basin represents highly rugged terrain in the form of the hilly ranges and pediment surfaces, while the flat terrain in the north is expressed by the low-lying Rann and Banni plains (mudflats, marshes, and grassland). This basin has preserved several classical terrestrial analog sites to study planetary science. Several potential localities in the basin provide opportunities to explore as Martian analogs. In the present study, we have proposed five analog sites from the Kachchh basin that has preserved classical geomorphic feature (volcanic and impact craters) as well as minerals (primary phyllosilicates, secondary hydrous sulfates, precipitated iron minerals, evaporite, and liquid brines like perchlorates) that tell the tale of the geological activity taken place on the Mars. The cultural and ecological aspects of the proposed sites and their hinterland are also discussed for the tourist attractions. All the proposed sites have ample geoheritage potential and need strong attention for conservation. Further, the establishment of geoparks and development of geotourism in the proposed area will enhance the Earth and Planetary Sciences scenario apart from boosting of local economy, including helping activities, research funding, and employment opportunities for locals that will play a significant role in the economic development of the region. To achieve such an ambitious program and accomplish the Sustainable Development Goals, these locations should be conserved and extended for geotourism. [ABSTRACT FROM AUTHOR]

The physical properties of organic solids are altered when hydrated (and, more generally, when solvated) and this is of particular significance for pharmaceuticals in application; for instance, the solubility of a hydrate is less than that of its parent. The effective volumes of waters of crystallization for non‐ionic pharmaceuticals (where the 'effective' volume is the difference per water molecule between the hydrate volume and the volume of the anhydrous parent) are here examined. This investigation contrasts with our earlier study of effective volumes of waters of crystallization for ionic materials where the coulombic forces are paramount. Volumetric properties are significant since they correlate strongly with many thermodynamic properties. Twenty‐nine hydrate/parent systems have been identified, and their volumetric properties are reported and analysed (apart from aspartame and ephedrine for which the structural data are inconsistent). Among these systems, the data for paracetamol are extensive and it is possible to differentiate among the volumetric properties of its three polymorphs and to quantify the effect of temperature on their volumes. The effective volumes in both ionic and non‐ionic systems are similar, with a median effective volume of 22.8 Å3 for the non‐ionic systems compared with 24.2 Å3 for the ionic systems, and both are smaller than the molecular volume of 30 Å3 of ambient liquid water – which appears to be an upper limit to the effective volumes of waters of crystallization under ambient conditions. These results will be supportive in checking and confirmation of hydrated crystal structures and in assessing their thermodynamic properties. [ABSTRACT FROM AUTHOR]

Two new crystal forms of tasimelteon TSM-I and TSM-II were reported here. Crystallization of crude in methanol or mixture solvent results in anhydrate crystal form (TSM-I) and hemihydrate crystal form (TSM-II) respectively. To the best of our knowledge, it is the first report about crystalline form of tasimelteon. The two crystal forms were exhaustively characterized by Scanning Electron Microscopy, Fourier Transform Infrared Spectroscopy, Raman Spectra, Differential Scanning Calorimetry, Thermogravimetric Analysis, Solid State NMR Spectroscopy and Powder X-ray diffraction and Single Crystal X-ray Diffraction. Furthermore, the pharmacokinetic behavior of TSM-I and TSM-II in rats were measured. We found that though TSM-II is considerably more soluble than TSM-I under water (pH = 7.0) and pH 1.2 buffer conditions, the bioavailability of TSM-Ivia oral administration was better compared to that of TSM-II., (Copyright © 2018 Elsevier B.V. All rights reserved.)