In this paper, adsorption of lactic acid (LA) on the outer surface, inside and in the edge of Si-doped Single Walled Carbon Nanotubes (SWCNTs) with different chirality has been investigated. The results showed that the adsorption of lactic acid onto the outer surface of Si-doped carbon nanotubes is thermodynamically favored. More details will be discussed by Dr. A. N. Chermahini and his group on page 250–260 in this issue.

Chiral crystallites of calcium carbonate can be formed in agarose gel with d-Asp as the additive.

Adsorption of lactic acid (LA) on the outer surface, inside, and at the edge of Si-doped single-walled carbon nanotubes (CNTs) with different chiralities has been investigated using dispersion-corrected hybrid density functional theory. The results show that the adsorption of LA on the outer surface of Si-doped CNTs is thermodynamically favored.

XRD spectrum of Mn₃O₄ (end product) isolated from thermal decomposition of Mn(II) complex.

UV absorber of 2-(3'-benzoyl-2'-hydroxy-5'-tert-butylphenyl)benzotriazole shower better UV-C absorption ability than that of commercial Tinuvin-PS

Here, for the first time, the CORAL software is used to model quantitative structure–property relationship of adsorption coefficients of chemicals on carbon nanotubes. A new method is reported for the optimization of Monte Carlo parameters in the modeling procedure. By using this method, two predictive models are obtained, which not only give satisfactory statistics for the test set but also preserves the statistical quality of subtraining and validation sets.

A new method was developed to synthesize benzothiazepine and thiazepine derivatives starting from a five-membered heterocycle. Also, their biological activities were studied. The synthesized compounds show good antioxidant and antihypertensive activity.

Urea-2,2-dihydroperoxypropane as a noble and solid gem-dihydroperoxide derivative was used to transform various aromatic aldehydes to their corresponding benzoate derivatives in the presence of HBr under mild conditions at room temperature in high yields and short reaction times.

We use quantitative structure–activity relationship (QSAR) model and molecular docking to characterize the interaction of inhibitors with angiotensin-I-converting enzyme (ACE). The model is simple, accurate, and robust. Structure-based molecular docking studies reveal the hydrogen bond is an important force for the binding affinity. This work is useful in understanding the interaction mechanisms of inhibitors with ACE, as well as designing new ACE inhibitors.

In this work, a new series of thiourea derivatives were obtained by the reaction of 4-(4-flourophenoxy)aniline with different isothiocyanates. The compounds 3, 7, 8, 9, 10, 12, 13, 15, and 17 showed excellent activity compared to reference drugs on MCF-7 and SKBR3 cell lines. Especially, compound 3 did not show any cytotoxic effect on the normal breast cell line.

Hexahydroquinolines are synthesized via one-pot, four-component condensation of 1,3-cyclic diketones, aromatic aldehydes, malononitrile, and ammonium acetate in the presence of sulfamic acid-functionalized nano-titanium dioxide as a novel type of heterogeneous nanocatalyst. The reaction condition is optimized using the response surface method (Box–Behnken design [BBD]). The nanocatalyst can be recovered easily by centrifugation and reused for at least seven consecutive runs.

An experimental investigation aimed at studying kinetics of tar evolution during coal pyrolysis was reported. Pyrolysis tests were conducted on a specially designed laboratory-scale apparatus which allowed continuous monitoring and recording the tar yield. The fitting result illustrates that the established hybrid dynamic model was effective for the prediction of tar yield. Furthermore, shrinking core model, multi-particle's first order reaction and Anti-Jander diffusion equation were respectively built to elucidate the macro releasing mechanisms of coal tar.

[Zn-Al] layered double hydroxides were synthesized by the coprecipitation method at constant pH. The different synthesis parameters, including the aging time, the initial concentration of the cationic solution, the synthesis pH, the molar cationic ratio Zn/Al, and the nature of the alkali, were varied. The obtained products were characterized by different techniques and the optimal synthesis conditions were determined.