3 sonuçlar
Arama Sonuçları
Listeleniyor 1 - 3 / 3
Öğe Docking and molecular dynamics calculations of some previously studied and newly designed ligands to catalytic core domain of HIV-1 integrase and an investigation to effects of conformational changes of protein on docking results(Türkiye Kimya Derneği, 2017-01-09) Ercan, SelamiNowadays, AIDS still remains as a worldwide pandemic and continues to cause many deaths which arise from HIV-1 virus. For nearly 35 years, drugs that target various steps of virus life cycle have been developed. HIV-1 integrase constitutes one of these steps which is essential for virus life cycle. Computer-aided drug design is being used in many drug development and drug improvement studies as also used in development of the first HIV-1 integrase inhibitor Raltegravir. In this study, 3 ligands which are already used as HIV-1 integrase inhibitors and 4 newly designed ligands were docked to catalytic core domain of HIV-1 integrase. Each ligand docked to three different conformations of protein. Prepared complexes (21 items) were carried out by 50 ns MD simulations and results were analyzed. Finally, the binding free energies of ligands were calculated. It was determined that designed ligands L01 and L03 gave favorable results. The questions about the ligands which have low docking scores in a conformation of protein could give better scores in another conformation of protein and if the MD simulations carry the different oriented and different localized ligands in same position at the end of simulation were answered.Öğe Tabakalı hibrit kompozit malzemelerin yorulma davranışlarının analizi(Tüm Bilim İnsanları ve Akademisyenler Derneği, 2019-09-30) Topkaya, Tolga; Solmaz, Murat Yavuz; İmak, AnılEndüstride geniş kullanım alanına sahip tabakalı kompozit malzemeler, kullanıldıkları alanlara bağlı olarak tekrarlı yüklere maruz kalabilmektedirler. Bu nedenle malzemelerin tekrarlı yüklere karşı dayanımı önemli bir parametredir. İzotropik malzemelerden farklı olarak kompozit malzemelerin yorulma davranışlarının tespiti daha zordur. Bunun sebebi kompozit malzemelerin tasarımı sırasında ele alınan parametrelerin sayısının fazlalığıdır. Gerçekleştirilen bu çalışmada tabakalı hibrit kompozit malzemelerin yorulma davranışları deneysel olarak incelenmiştir. Çalışmada karbon ve cam olmak üzere üç farklı hibrit numune elle yatırma yöntemi ile epoksi reçine kullanılarak üretilmiştir. Elyafların reçine ile birleştirilmesinin ardından kompozit levhalara hidrolik sıcak pres uygulanmıştır. Yorulma deneylerinin yapılabilmesi için gerekli olan numuneler ASTM standartlarına uygun şekilde boyutlandırılmıştır. Deneyler sırasında gerilme oranı 0.1 ve frekans 10 Hz seçilmiştir. Deney sonucunda elde edilen sonuçlar karşılaştırmalı olarak grafikler halinde sunulmuştur.Öğe Extraction of lanthanum and cerium from a bastnasite ore by direct acidic leaching(TMMOB Maden Mühendisleri Odası, 2020-06-01) Özsaraç, Şafak; Kurşunoğlu, Sait; Hussaini, Shokrullah; Gökçen, Hasan Serkan; Kaya, Muammer; Altıner, Mahmut; Top, SonerThe extraction of lanthanum (La) and cerium (Ce) from a bastnasite ore by direct acidic leaching was investigated. The effects of acid concentration and leaching temperature on the extraction of La and Ce from the ore were tested. Using nitric (NHO3 ), more than 85% of the La and Ce were simultaneously extracted into leach solution whereas the La and Ce dissolutions were determined as less than 85% by using sulfuric acid (H2 SO4 ). The La dissolution exceeded 90% by using hydrochloric acid (HCl); however, the Ce dissolution remained below 85% under the following conditions: solid-to-liquid ratio of 20% (w/v), the acid concentration of 20%, leaching temperature of 25 °C and leaching time of 1 h. The result revealed that HNO3 could be used as a solvent for the maximum simultaneous extraction of the La and Ce from the bastnasite ore. The leaching temperature had no crucial effect on the dissolution of La and Ce when HNO3 or HCl solutions were preferred as a solvating agent. However, the leaching temperature had a slight positive effect on the dissolutions of La and Ce when H2 SO4 was used as a solvent.
