نتایج جستجو برای: Molecular structure
تعداد نتایج: 2088129 فیلتر نتایج به سال:
nowadays, the development of anti cancer drugs is an important subject in pharmacology. bisphosphonates (b.p) are a great choice for design and production of the types of drugs which not only could perform as anti cancer agents but also could inhibit the function of acetyl cholinesterase (ache). ache hydrolyzes the acetylcholine (which is a neurotransmitter in nervous system) using the oh in i...
in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...
as recent advancements in biology shows, the molecular machines specially proteins, rna and complex molecules play the main role of the so called cell functionality. it means a very big part of the system biology is concerned with the interactions of such molecular components. drug industries and research institutes are trying hard to better understand the concepts underlying these interactions...
asymmetric membranes are widely used in many industrial membrane separation processes. the major advantage of membrane filtration over the conventional process is its ability to remove a wider spectrum of particles without using any chemicals. hollow fiber configuration offer many advantages over flat-sheet or tubular membranes. the spinning process of hollow fiber may look simple, yet it is te...
the molecular geometry of complex of adenine with 8 water molecules was calculated with hartree-fock (hf). the standard 6-31g(d) basis set has been employed. the existence of c-h…o hydrogen bonds between the water molecules and the hydrophobic part of nucleobase is stablished. we optimized structures and computed interaction energies of all complexes of adenine with water molecules step by step...
this study was carried out to determine the protein and carbohydrate molecular structure of sorghum cultivars using fourier transform infrared spectroscopy (ftir) with multivariate molecular spectroscopy analyses. sorghum cultivars included: 1- kimia, 2- sepideh, 3- m2 and 4- m8. protein and carbohydrate molecular functional groups studied included: peak area and height amide i, amide ii, α-hel...
مطالعه دینامیک مولکولی پایداری و ساختاری دو فاز جامد آسپیرین و خواص محلول آن در حلال های آب و متانول
دینامیک مولکولی (md) یک نوع شبیه سازی کامپیوتری میباشد که در آن اتم ها و مولکول ها اجازه مییابند برای یک گام زمانی تحت قوانین شناخته شده ی فیزیک برهمکنش داشته باشند و تصویری از حرکت اتم ها را به دست می دهد . از این روش برای مطالعهی بسیاری از سیستم های فیزیکی استفاده میشود. در این پایان نامه از این روش برای شبیهسازی دو فاز حالت جامد آسپیرین? دارویی که امروزه موارد مصرف زیادی برای آن شناخته ...
the 2-(methylamino) pyridine, l, reacts with cucl in thf to give hexameric copper (i) complex, [cucl(l)]6. the molecular structure has been determined by using single-crystal x-ray diffraction method. the complex crustallizes in the monoclinic space group p21/n with four molecules per unit cell. the unit cell dimensions are a = 8.3495 (15), b = 15.622 (6), and c = 17.030(4) å with b= 98.55 (2)°...
background: the phylogenetic location of chinese spirometra sparganum isolates remains unclear. the aim of this study was to explore the phylogenetic location of the spirometra sparganum isolates from china. methods: the 28s ribosomal dna (rdna) d1 sequences of 14 spirometra sparganum isolates collected from thirteen locations in china were analyzed by using neighbor-joining (nj), maximum parsi...
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