نتایج جستجو برای: molecular surface potential

تعداد نتایج: 2157171  

Journal: :iranian journal of pharmaceutical research 0
s honary h orafai

the arithmetic mean roughness, ra, values were determined by scanning electron microscopic technique of different core models (furazolidone, nitrofurantoin and acetyl salicylic acid), coated by hpmc film forming solution containing 10 wt% of various molecular weight pegs. the results showed that both plasticizer molecular weight and core surface free energy could have a significant influence on...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت مدرس - دانشکده علوم پایه 1390

در این تحقیق اتصال پپتیدی نانولوله به صفحات گرافن مورد بررسی قرار گرفته است. از میان جنبه های مختلف قابل بررسی برای این ساختارها، مطالعات ساختاری، مطالعات مربوط به انرژی تشکیل پیوند، مطالعاتnmr) )neuclear magnetic resonance و nuclear quadrupole resonance (nqr)و molecular electrostatic potential (mep)، مطالعات مربوط به شکاف انرژی (band gap)هریک از این هیبریدهای نانولوله - گرافن و همچنین بررسی ان...

Background & Aim: Molecular imaging enables us to non-invasively visualize tissue microstructures and lesion characterization, allowing accurate diagnosis of diseases at early stages. A successful molecular imaging requires a nontoxic contrast agent with high sensitivity. Nowadays, a wide range of nanoparticles have been developed as contrast agents for medical imaging modalities. Here, we revi...

Journal: :The Journal of chemical physics 2014
Rasmus A X Persson Nikolaos K Voulgarakis Jhih-Wei Chu

Fluctuating hydrodynamics (FHD) is a general framework of mesoscopic modeling and simulation based on conservational laws and constitutive equations of linear and nonlinear responses. However, explicit representation of electrical forces in FHD has yet to appear. In this work, we devised an Ansatz for the dynamics of dipole moment densities that is linked with the Poisson equation of the electr...

2013
Svenja M. Janke Michele Pavanello Geert-Jan Kroes Daniel Auerbach Alec M. Wodtke Alexander Kandratsenka S. M. Janke

By Svenja M. Janke1∗, Michele Pavanello, Geert-Jan Kroes, Daniel Auerbach, Alec M. Wodtke, and Alexander Kandratsenka ,∗ 1 Institute for Physical Chemistry, Georg-August University of Göttingen, Tammannstr. 6, 37077, Germany 2 Rutgers University, Warren St. 73, Newark, NJ, 07102, USA 3 Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, 2300, The Netherlands 4 Max-Planck-In...

Journal: :international journal of environmental research 2013
a. de santiago-martín i. valverde-asenjo j.r. quintana c. gonzález-huecas a.l. lafuente

the potential risk of metal accumulation in periurban agricultural areas is a matter for concern.the climate characteristics and carbonate content of calcareous agricultural mediterranean soils typical inthese areas favour metal accumulation at the surface level; however there is also a risk of potential metalmobility. our study focuses on the soil properties affecting metal mobility in these s...

Journal: :biomacromolecular journal 0
elham mozaffari department of chemistry, gorgan branch, islamic azad university, gorgan, iran elham tazikeh-lemeski department of chemistry-gorgon branch-islamic ad university-gorgan-iran ali akbar saboury institute of biochemistry and biophysics, university of tehran, tehran, iran

human serum albumin (hsa) is the most abundant protein in the blood plasma. drug binding to hsa is crucial to study the absorption, distribution, metabolism, efficiency and bioavailability of drug molecules. in this study, isothermal titration calorimetry and molecular dynamics simulation of hsa and its complex with indometacin (im) were performed to investigate thermodynamics parameters and th...

As cancer is the top killer diseases in the world, the scientists and researchers have been searching the new drugs and remedy methods. Most of the anticancer drugs are organic compounds which were approved by the FDA while metallodrugs are very rare. In the present time, some palladium and rhodium complexes are going to use as anticancer molecules. The palladium (II) complex has higher antican...

2006
M. Scott Shell Pablo G. Debenedetti Athanassios Z. Panagiotopoulos

We apply conformal solution theory and extend to mixtures a recently derived equation of state for glass-forming liquids. The equation of state is based on the statistical properties of the multidimensional potential energy surface as a function of a macroscopic system’s degrees of freedom (energy landscape), and allows the calculation of an ideal glass transition locus, along which the configu...

As cancer is the top killer diseases in the world, the scientists and researchers have been searching the new drugs and remedy methods. Most of the anticancer drugs are organic compounds which were approved by the FDA while metallodrugs are very rare. In the present time, some palladium and rhodium complexes are going to use as anticancer molecules. The palladium (II) complex has higher antican...

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