Correlation of Critical Micelle Concentration of Sodium Alkyl Benzenesulfonates with MolecularDescriptors

The hydrophobic-hydrophilic segment geometries of 36 sodium alkyl benzenesulfonates were fully optimized and calculated by abinitio RHF/6-31G（d）, quantum chemical data such as the charge density, the energy of molecular orbital and the dipole moment were obtained. Based on two topological descriptors and one quantum chemical descriptor, a significant quantitative structure-property relationship （QSPR） model for the critical micelle concentration （Cmc） of sodium alkyl benzenesulfonate surfactants was obtained by using the multiple linear regression technique. The good correlation coefficient of Re （0. 980） and cross-validation correlation coefficient Rcv^2 （0. 974） indicate the excellent capability and stability of the regression equation developed. In addition, linear relationships between logarithm of Cmc and the dipole moment of surfaetant hydrophobic hydrophilic segments for each homologous series have also been established with high correlation coefficient.

Preparation of Dithienylethene with Amino Groups, and Photochromic Behavior in Langmuir-Blodgett Film of the Amphiphilicdithienylethene

We successfully synthesized dithienylethene with amino groups. Then, we successfully prepared Langmuir-Blodgett (LB) films of the dithienylethene having ammonium cation group when dodecyl benzene sulfonic acid was employed as an anionic counter ion. From X-ray diffraction profiles, however, it was demonstrated that they did not form well-defined layered structure;X-ray diffraction peaks were much broadened. Photochromic behavior was confirmed in the LB films. Unfortunately, the LB films were not so stable;photochromic reaction was observed only several times in the LB films.

2D-QSAR Studies on Triazolone Compounds Containing Benzenesulfonic Amide

The geometry structures of 6 triazolone compounds containing benzenesulfonic amide were fully optimized with DFT （Density Functional Theory） method at the B3LYP/6-31G level, and the structural and electronic parameters of the compounds were calculated. The hydrophobic and topological parameters of the title compounds were calculated by HyperChem software. The mono- and bi-parametric models between the parameters and biological activity of the compounds were analyzed by Multiple Linear Regression method based on Hansch-Fujita model. The results show that the activities of the title compounds were increased with higher hydrophobic property logP and molecular volume V, lower molecular energy ETOTAL and electronegative of benzene ring Qph.

Clinical pharmaceutical analysis of combined therapy with amlodipine benzenesulfonate and atorvastatin calcium for elderly patients with hypertension and dyslipidemia

Background Hypertension combined with dyslipidemia is the main cause of cerebrovascular and cardiovascular accidents in elderly patients,and actively controlling blood pressure and lipid levels is the best way to reduce the risk of cardiovascular accidents and death.This study focused on the clinical pharmaceutical analysis of combined therapy with amlodipine benzenesulfonate and atorvastatin calcium for elderly patients with hypertension and dyslipidemia.Methods A total of 292 elderly patients with hypertension and dyslipidemia from August 2022 to February 2023 were selected and grouped according to random number table method,and evenly assigned to control group(n=146)and observation group(n=146).Control group was treated with amlodipine besylate,and observation group was treated with combined therapy with amlodipine benzenesulfonate and atorvastatin calcium.The effects and adverse reactions of the two groups were compared,and the changes of blood pressure and lipid indexes before and after treatment were also compared.Results The total effective rate of observation group was higher than that of control group,the difference was significant(P<0.05).There was no significant difference in the incidence of adverse reactions between the two groups(P>0.05).No significant differences were found in systolic blood pressure,diastolic blood pressure,total cholesterol and triglyceride between the two groups before treatment(P>0.05).While after treatment,the level of systolic blood pressure,diastolic blood pressure,total cholesterol and triglyceride in the observation group were lower than those in the control group(P<0.05).Conclusions The combination therapy with amlodipine benzenesulfonate and atorvastatin calcium is effective and safe,improving blood pressure and lipid levels in patients with hypertension and dyslipidemia,and can be widely applied to elderly patients with hypertension and dyslipidemia.[S Chin J Cardiol 2024;25(1):38-43].

Photoinduced intramolecular charge transfer of sodium 4-(N,N-dimethylamino)benzenesulfonate

A new dual fluorescent N,N-dimethylaniline derivative, sodium 4-(N,N-dimethylamino)-benzenesulfonate (SDMAS), is reported. In SDMAS, the electron acceptor is linked to the phenyl ring via a sulfur atom at the para-position of the electron donor. It was found that SDMAS emits dual fluorescence only in highly polar solvent water but not in organic solvents such as formamide, methanol and acetonitrile. In organic solvents only a single-band emission at ca.360 nm was observed in the short wavelength region. The dual fluorescence of SDMAS in water was found at 365 and 475 nm, respectively. Introduction of organic solvent such as ethanol, acetonitrile, and 1,4-dioxane into aqueous solution of SDMAS leads to blue-shift and quenching of the long-wavelength emission. Measurements of steady-state and picosecond time-resolved fluorescence indicate that the long wavelength fluorescence is emitted from a charge transfer (CT) state that is populated from the locally excited (LE) state, with the latter giving off

Adsorption behavior of benzenesulfonic acid by novel weakly basic anion exchange resins

Two novel weakly basic anion exchange resins（SZ-1 and SZ-2） were prepared via the reaction of macroporous chloromethylated polystyrene-divinylbenzene（Cl-PS-DVB） beads with dicyclohexylamine and piperidine, respectively. The physicochemical structures of the resulting resins were characterized using Fourier Transform Infrared Spectroscopy and pore size distribution analysis. The adsorption behavior of SZ-1 and SZ-2 for benzenesulfonic acid（BA） was evaluated, and the common commercial weakly basic anion exchanger D301 was also employed for comparison purpose. Adsorption isotherms and influence of solution p H, temperature and coexisting competitive inorganic salts（Na2SO4and Na Cl） on adsorption behavior were investigated and the optimum desorption agent was obtained.Adsorption isotherms of BA were found to be well represented by the Langmuir model.Thermodynamic parameters involving ΔH, ΔG and ΔS were also calculated and the results indicate that adsorption is an exothermic and spontaneous process. Enhanced selectivity of BA sorption over sulfate on the two novel resins was observed by comparison with the commercial anion exchanger D301. The fact that the tested resins loaded with BA can be efficiently regenerated by Na Cl solution indicates the reversible sorption process. From a mechanistic viewpoint, this observation clearly suggests that electrostatic interaction is the predominant adsorption mechanism. Furthermore, results of column tests show that SZ-1possesses a better adsorption property than D301, which reinforces the feasibility of SZ-1for potential industrial application.

Facet-induced coordination competition for highly ordered CsPbBr_(3) nanoplatelets with strong polarized emission

Controllable anisotropic growth of perovskite nanocrystals(NCs)is challenging since it is difficult to separate the nucleation and growth processes.Here,a two-step nucleation strategy is proposed to control the binding interaction between surface ligands and NCs,resulting in facet-induced coordination competition.Oleic acid as surface activated ligand leads to the formation of defective lead bromine octahedron,and the binding interaction between 4-dodecylbenzenesulfonic acid and lead atoms promotes the formation of two kinds of binding interactions.Based on this strategy,the anisotropic growth of CsPbBr_(3) nanoplatelet(NPLs)with adjusted length from 11.4 to 24 nm,and the evolution of NPLs from stacked to tongue-shaped have been realized.Elemental line scan reveals the sulfur atoms mainly distribute at the edge of NPLs.Furthermore,binding energy calculation and experimental results illustrate the coordination competition of different binding interaction on specific facets induces the anisotropic growth of NPLs.Importantly,strong emission anisotropy of highly ordered NPLs with polarization ratio up to 0.58 is illustrated.This work not only deepens our understanding of the controllable synthesis of perovskite NCs,but also provides a reference for the regulation of light emitting diode and soler cells.