Molecular Dynamics of Steroidal Rotors Probed by Theoretical, Spectroscopic and Dielectric Methods.

Our study focuses on molecular rotors with fast-moving rotators and their potential applications in the development of new amphidynamic crystals. Steroidal molecular rotors with a dipolar fluorine-substituted phenyl group as the rotator were synthesized and characterized. Three different rotors were investigated with varying numbers of fluorine atoms. A comprehensive analysis was performed using vibrational spectroscopy (Raman, FT-IR), electronic circular dichroism (ECD), and dielectric response to understand the behavior of the investigated model rotors. The results were supported by theoretical calculations using Density Functional Theory (DFT) methods. The angle-dependent polarized Raman spectra confirmed the crystallinity of the samples. Nearly frequency and temperature-independent permittivity suggest low-frequency librational motion of stators. An in-depth analysis of ECD spectra revealed high conformational flexibility in solution, resulting in low ECD effects, while in the solid-state with restricted rotation, significant ECD effects were observed. These findings shed light on the conformational behavior and potential applications of the studied steroidal molecular rotors.

Unfavorable effects of sodium-glucose cotransporter 2 (SGLT2) inhibitors on the skeletal system of nondiabetic rats.

Sodium-glucose cotransporter 2 (SGLT2) inhibitors are a new class of antidiabetic drugs, acting by inhibiting the reabsorption of glucose in the kidneys. They turned out to improve cardiovascular and renal outcomes not only in patients with type 2 diabetes but also in nondiabetic patients. At present, they are more and more widely used in patients without diabetes. Since there were concerns that SGLT2 inhibitors may increase fracture risk in diabetes, the aim of the study was to examine the effect of dapagliflozin and canagliflozin on the musculoskeletal system of nondiabetic, healthy rats. The experiments were carried out on mature female rats, divided into the control rats and rats treated with dapagliflozin (1.4 mg/kg p.o.) or canagliflozin (4.2 mg/kg p.o.) for 4 weeks. Serum bone turnover markers, skeletal muscle strength and mass, bone mass, density, histomorphometric parameters and mechanical properties were determined. Administration of the drugs did not affect the skeletal muscle mass and strength. There was no effect on serum bone turnover markers, and bone mass and composition. However, administration of both drugs resulted in disorders of cancellous bone microarchitecture and worsening of bone mechanical properties. In conclusion, both SGLT2 inhibitors unfavorably affected the skeletal system of healthy rats.

Steroidal Molecular Rotors with 1,4-Diethynylphenylene Rotators: Experimental and Theoretical Investigations Toward Seeking Efficient Properties.

Properly designed molecular rotors with sizable stators and a fast-moving rotator could provide efficient building blocks for amphidynamic crystals. Herein, we report the synthesis of steroidal compounds 1, 2, and 3 and their deuterated analogues 1D, 2D, and 3D envisioned to work as molecular rotors. The obtained compounds were characterized by attenuated total reflection-infrared, Raman, and circular dichroism (CD) spectroscopy measurements. The interpretation of spectra was supported by theoretical calculations using density functional theory methods. The analysis of the most characteristic bands confirmed different molecular dynamics of the rotors investigated. Angle-dependent polarized Raman spectra showed the crystallinity of some samples. Electronic CD (ECD) spectra of compounds 1-3 and their relevant deuterated analogues 1D-3D are identical. The increase of the band intensity with lowering the temperature shows that the equilibrium is shifted to the thermodynamically most stable conformer. ECD spectra simulated at the TDFFT level of theory for compound 3 were compared with experimental results. It was proved that conformer 3a, with a torsion angle of +50°, exhibits the best agreement with the experimental results. Simulated vibrational CD and IR spectra for conformer 3a and its deuterated analogue 3Da also display good agreement with experimental results. In light of our comprehensive investigations, we evidenced that steroidal compounds 1, 2, and 3 can work as molecular rotors.

Vibrational spectroscopic characterization of cyclic and acyclic molecular rotors with 1,4-diethynylphenylene-d4 rotators.

The synthesis and characterization of acyclic and cyclic molecular rotors with 1,4-diethynylphenylene-d4 rotators are described. The ATR-FTIR and Raman spectra of acyclic rotor 3 and cyclic rotor 5E were measured and interpreted. A feature of ATR-FTIR spectrum of rotor 5E is a strong two-component band around 1730cm-1 attributed to symmetric and asymmetric stretching vibration of the carbonyl group, while this is not observed in rotor 3. Raman investigation in the wide temperature range of 350 - 10K was carried out. The splitting of Raman bands in the region of stretching vibration of CC double and triple bonds at 170 and 260K for rotor 5E is observed. The splitting of bands is due to changes in molecular structure.

[Early age at menarche - relationship with socioeconomic status and selected factors connected with health status]. / Wczesny wiek menarche - zwiazek ze statusem spoleczno-ekonomicznym oraz wybranymi czynnikami zwiazanymi ze stanem zdrowia.

INTRODUCTION: Current research from around the world indicates a trend toward younger ages at the first menstruation. At the same time more and more studies point out the negative consequences of early puberty. Early age at menarche is significantly correlated with the risk of metabolic syndrome, breast cancer and female reproductive system cancer, as well as illnesses such asthma and bulimia. The aim of the study was to examine the relationship between age at menarche and socioeconomic status and selected factors connected with biological conditions. MATERIAL AND METHODS: The data were obtained from 671 female university students. Height, weight, waist and hip circumference were measured, and BMI, WHR, WHtR were calculated. A questionnaire form was used to assess the age at menarche, biological conditions and socioeconomic status of the surveyed students. RESULTS: There were no significant differences in the number of the early, average and late maturing students between the socioeconomic groups. The early maturing girls were characterized by higher values of waist circumference, BMI, WHR and WHtR. The prevalence of obesity and abdominal obesity was highest among the early maturing girls. The analysis did not show statistically significant relationships between age at menarche and selected factors connected with biological conditions. CONCLUSION: Early maturation increases the risk of obesity and central adiposity distribution.