In the title compounds, 2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-1,3-thiazole, C(11)H(11)ClN(2)O(2)S, (I), and 4-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-1,3-thiazole, C(12)H(12)ClNO(2)S, (II), the dihedral angles between the thiazole moiety and the chloroaryl group are 51.61 (10) and 8.44 (14), respectively. This difference is a consequence of intermolecular hydrogen bonds forcing the stabilization of a twisted rotamer in (I). Substitution of the amino function by a methyl group precludes these contacts, giving a flat rotamer in (II).
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http://dx.doi.org/10.1107/s0108270102000598 | DOI Listing |
Int J Pharm
December 2024
Sciences Center of Imperatriz, Federal University of Maranhão - UFMA, 65900-410, Imperatriz, MA, Brazil. Electronic address:
This study reports the synthesis and the experimental-theoretical characterization of a new coamorphous system consisting of ethionamide (ETH) and mandelic acid (MND) as a coformer. The solid dispersion was synthesized using the slow solvent evaporation method in an ethanolic medium. The structural, vibrational, and thermal properties of the system were characterized.
View Article and Find Full Text PDFSci Adv
January 2025
Department of Mechanical Engineering, College of Design and Engineering, National University of Singapore, Singapore 117575, Singapore.
Magneto-responsiveness in living organisms, exemplified by migratory birds navigating vast distances, offers inspiration for soft robots and human-computer interfaces. However, achieving both high magneto-responsiveness and resilient mechanical properties in synthetic materials has been challenging. Here, we develop magneto-iono-elastomers (MINEs), combining exceptional magnetization [2.
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December 2024
School of Management, Zhengzhou Business University, Gongyi 451200, China.
Because of the existence of moisture in indoor air, it is still a serious challenge to capture formaldehyde indoors with the metal-organic material Fe-HHTP-MOF. To explore the relationship between the structure and performance of Fe-HHTP-MOF in dry and humid air, molecular dynamics simulation was used to study the adsorption amount of Fe-HHTP-MOF for formaldehyde and water under different temperatures and adsorption pressures, as well as the adsorption amount of Fe-HHTP-MOF for formaldehyde in the presence of both water and formaldehyde, and the differences in adsorption of formaldehyde and water by Fe-HHTP-MOF were compared and analyzed when water coexisted. The results show that under single-component isothermal adsorption, the hydrogen bond energy formed by Fe-HHTP-MOF adsorbing HO molecules is much greater than the van der Waals energy formed by adsorbing HCHO molecules.
View Article and Find Full Text PDFACS Cent Sci
December 2024
Department of Pharmaceutics, Wuya College of Innovation, Shenyang Pharmaceutical University, Shenyang, 110016, China.
Prodrug-based nanoassemblies are promising platforms for cancer therapy. Prodrugs typically consist of three main components: drug modules, intelligent response modules, and modification modules. However, the available modification modules are usually hydrophobic aliphatic side chains, which affect the activation efficiency of the prodrugs.
View Article and Find Full Text PDFInt J Pharm
December 2024
School of Pharmaceutical Sciences, Nanjing Tech University, Nanjing 211816, China. Electronic address:
The coamorphous formulations have attracted increasing interest due to enhanced solubility and bioavailability, together with synergistic pharmacological effects. In this study, a ternary coamorphous system of polyphenols was successfully prepared, wherein baicalein (Bai) and resveratrol (Res) were constructed into a single-phase coamorphous system mediated by piperine (Pip). FTIR and ss C NMR spectra together with quantum chemical calculation and molecular dynamics simulation suggested Pip as a molecular bridge connected Bai and Res molecules through π-π stacking and hydrogen bonding interactions.
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