The Effect of Secoisolariciresinol on 3T3-L1 Adipocytes and the Relationship between Molecular Structure and Activity

2009 ◽  
Vol 73 (1) ◽  
pp. 35-39 ◽  
Author(s):  
Shiori TOMINAGA ◽  
Takuya SUGAHARA ◽  
Sogo NISHIMOTO ◽  
Manami YAMAWAKI ◽  
Yuki NAKASHIMA ◽  
...  
Keyword(s):  
Molecular Structure ◽  
The Relationship ◽  
Structure And Activity

The Effect of Donor Molecular Structure on Power Conversion Efficiency of Small-Molecule-Based Organic Solar Cells

2019 ◽  
Vol 16 (3) ◽  
pp. 236-243 ◽  
Author(s):  
Hui Zhang ◽  
Yibing Ma ◽  
Youyi Sun ◽  
Jialei Liu ◽  
Yaqing Liu ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solar Cells ◽  
Power Conversion Efficiency ◽  
Conversion Efficiency ◽  
Small Molecule ◽  
Organic Solar Cells ◽  
Molecular Design ◽  
Power Conversion ◽  
The Relationship

In this review, small-molecule donors for application in organic solar cells reported in the last three years are highlighted. Especially, the effect of donor molecular structure on power conversion efficiency of organic solar cells is reported in detail. Furthermore, the mechanism is proposed and discussed for explaining the relationship between structure and power conversion efficiency. These results and discussions draw some rules for rational donor molecular design, which is very important for further improving the power conversion efficiency of organic solar cells based on the small-molecule donor.

Search for active candidates in a range of flavonoids regarding SARS-CoV-2 by the method of molecular docking

2021 ◽  
pp. 22-35
Author(s):  
Stanislav V. Pechinskii ◽  
Eduard T. Oganesyan ◽  
Anna G. Kuregyan
Keyword(s):  
Molecular Docking ◽  
Antiviral Activity ◽  
Cost Effective ◽  
Structural Features ◽  
Biologically Active ◽  
Active Structures ◽  
Main Protease ◽  
Targeted Screening ◽  
The Relationship ◽  
Structure And Activity

Molecular docking is a convenient and cost-effective tool for targeted screening of biologically active structures. This method makes it possible to reveal the relationship between structure and activity, as well as to search for new active compounds. Due to the fact that the antiviral activity of flavonoids and their derivatives has been shown experimentally and clinically, the study of their antiviral activity against SARS-CoV-2 is a promising study. In an in silico experiment, the possibility of binding 20 flavonoid ligands and the main protease SARS-CoV-2 was studied. The structural features of flavone and flavanone derivatives have been determined, which determine their ability to block the main protease of the SARS-CoV-2 virus. Structures of eight new candidates that bind the main protease SARS-CoV-2, which have the prospect of synthesis and further pharmacological research, have been proposed.

scholarly journals Forecasting the properties of linear block-copoliurethanes based on oligoesters of regular structure

2021 ◽  
pp. 4-10
Author(s):  
V.N. Anisimov ◽  
◽  
V.V. Anisimov
Keyword(s):  
Molecular Structure ◽  
Regular Structure ◽  
High Strength ◽  
Operating Conditions ◽  
Properties Of Materials ◽  
Reasonable Choice ◽  
The Relationship ◽  
Tribotechnical Characteristics ◽  
Quality Indexes ◽  
Linear Block

We showed that the development of recommendations for a reasonable choice of linear block copolyurethanes that would be optimal for given operating conditions is still intuitive and does not consider the features of the molecular structure and the nature of initial components. We suggested a new scientifically grounded approach to the creation of linear block-copolyurethanes with increased wear resistance in relation to strength, deformation, thermophysical and tribotechnical characteristics. To simplify analysis of the properties of the studied materials, a mathematical model was developed, which describes the relationship between all considered properties of materials and their structure. We proposed to assess the relationship between structure and properties of the investigated materials by using quality indexes. Maximum values of quality indexes, depending on the operating conditions, correspond to different contents of hard blocks (Pc), and, consequently, to different molecular structure of the studied polyurethanes. Thus, it is reasonable to use block-copolyurethanes based on OBGA500 with a maximum content of hard blocks (Рс>60%) for operating conditions where it is necessary to provide high strength characteristics. Polyurethanes synthesized with the formation of clusters of hard blocks in the range of 45–55% are recommended for the use as wear-resistant materials.

A COMPARISON OF TOPICAL AND SUBCUTANEOUS METHODS OF ADMINISTRATION OF SIXTEEN OESTROGENS

1963 ◽  
Vol 26 (3) ◽  
pp. 317-329 ◽  
Author(s):  
C. F. MORGAN
Keyword(s):  
Molecular Structure ◽  
Molecular Weight ◽  
Melting Point ◽  
Uterine Weight ◽  
Rank Orders ◽  
Target Organs ◽  
Structure And Activity ◽  
Response Variables

SUMMARY This study showed that the application of hormones directly on the surface of the skin will result in uterine and vaginal weight stimulation, at times equal to and sometimes more effective than effects obtained by s.c. injection of the same hormones in the same concentration and over the same length of time. This effect was apparent, using sixteen different oestrogens. It was also shown that the uterine weight response is more sensitive and discriminatory in detecting differences between the potencies of oestrogens than is the vaginal weight response. The rank orders by both response variables, whether by topical or s.c. administration, were similar. It was shown statistically that the differences in potency of the sixteen oestrogens tested in this study are related more to certain molecular structure than to difference in solubility, molecular weight, or melting point. It was postulated that the potency of the oestrogens was related to their molecular structure and activity within the target organs.

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