the thermodynamic functions such as enthalpy (h), gibbs free energy (g) and entropy (s) of serineand threonine amino acids were theoretically studied at different condition (solvents andtemperatures) by using gussian o3, software. first, the structural optimization of isolated serine andthreonine were done in the gas phase by using the hartree-fock (hf) level of theory with 3-21g, 6-31g and 6-3...

Hydrogen bonding of DPPE with water that surrounded of membrane, plays an important role in permeability ofmembrane that we were presented this matter with analysis of bond angles and torsion angles before and after ofadded water molecules.Interaction with water molecules causes some changes in the geometry of DPPE which were explained bythe contribution of zwitterionic form of DPPE molecule, a...

Abstract Funding Acknowledgements Type of funding sources: None. Background Ultra-high-power short-duration (UHPSD) ablation with the novel QDOT™ catheter allows to maintain a target temperature by automatically adjusting flow and power during 4-second application 90 Watt. However, optimal contact-force for sufficient lesion generation is yet be determined. Methods This study comprised 41 patie...

The Brazilian food industry and government reached a consensus on progressively reducing the content of industrial trans fatty acids (TFA) in products due to its health effects. French fries are popular among young people this study evaluates four brands frozen pre-fried marketed Brazil from main fast-food chains regarding their acid profile total fat content. chain was 14-21g/100 g, with TFA 0...

في الدراسة الحالية، تم استخدام طريقة مباشرة لإنشاء سلسلة جديدة من معقدات نقل الشحنة المواد الكيميائية ذات حصيلة جيدة، حيث إنتاج مركبات لمعقدات خلال مفاعلة كينونات مختلفة كلا على حدة مع -N فنيل -3,4- سيلينا داي ازو بنزو فينون امين مذيب الأسيتونيتريل بنسبة 1: 1 مول وباستخدام تقنيات التحليل المعروفة مثل الأشعة فوق البنفسجية ، والأشعة تحت الحمراء و1H, 13C-NMR تحديد جميع المواقع الفعالة للمركبات الن...

Wstęp Typową strategią leczenia raka jajnika jest operacja chirurgiczna oraz podawana po niej chemioterapia wykorzystująca leki cytostatyczne, w tym cisplatynę. Niestety u większości pacjentek dochodzi do nawrotu choroby, którego głównym powodem wykształcanie przez komórki nowotworowe oporności na Z tego względu intensywnie poszukuje się nowych rozwiązań terapeutycznych, m.in. terapii skojarzon...

in this paper we have focused on the dielectric constant effect between various solvents with theoretical modelin the biochemical process. thereby, aaa, uuu, aag and uuc triplex sequences have been optimized inwater, methanol, ethanol and dmso with proposed scrf model of theory. the solvation of biomolecules isimportant in molecular biology since numerous processes involve to interacting a prot...

The interaction of the spike (S) glycoprotein SARS-CoV-2 with angiotensin-converting enzyme 2 (ACE2) correlates increased virus transmissibility and disease severity in humans. Two strategies may be considered for preventive or treatment purposes: blockage ACE2 receptors shielding receptor-binding domains (RBD) Sprotein COVID-19, as well S2 cleavage site that is used by furin host cells late ph...

In the last decade, progress has been made in G-quadruplex (G4) ligands development, but for most compounds, ligand binding mode is speculative or based on low resolution methods, with its discovery structure-based approaches. Herein, we report synthesis of small (MW < 400 Da) heterocycle containing different aromatic scaffolds, such as phenyl, quinoline, naphthalene, phenanthroline and acri...

Güneş ışığının etkisini azaltan özel boyalarda kullanılan serin pigmentler genellikle perilenler yardımıyla üretilir. Beyaz boyalar güneş ışığını geniş bir yelpazede yansıtırken, siyah ve diğer koyu renkler spektrumu absorbe ettikleri için uygulandıkları malzemelerin ısınmasına etki ederler. “Serin pigmentler” (boyalar) olarak adlandırılan moleküller, renkli olmalarına rağmen ışınlarının NIR bö...