نتایج جستجو برای: cpmas nmr
تعداد نتایج: 58833 فیلتر نتایج به سال:
We report a novel self-assembling system of amphiphilic oligopeptides composed of alternating hydrophobic and ionizable amino-acid residues. Three types of peptides, AD12, AE12 and AK12, were prepared as building blocks for this model system. These peptides formed helical conformations in low-concentration solutions, but these peptides adopted b-sheet structures and precipitated in highly conce...
in this study, the drug atenolol on c60 fullerene were the drug and its derivatives were optimized fullerene. nbo and nmr for complex computations required in the hf/6-31g (d) and b3lyp/6-31g (d) quantum chemistry method was used. mechanical quantum calculations in theory level of b3lyp/6-31g were performed on structure of atenolol and nano fullerene atenolol with different positions of linking...
0146-6380/$ see front matter 2008 Elsevier Ltd doi:10.1016/j.orggeochem.2008.06.006 * Corresponding author. Tel.: +1 423 439 6917; fa E-mail address: [email protected] (Y.L. Jiang). A new and convenient fluorescence spectroscopic method has been developed for the separation and determination of perylene in fossil wood recovered from a late Miocene to early Pliocene Gray Fossil Site in Tennessee, ...
as drug delivery systems nanoparticulan widely investigated because of many advantages such as smaller size,controlled drug release potential targeting ability, enhancement of therapeutic efficacy and reduction oftoxicity. so, carbon nanotubes have recently received considerable attention as alternative drug delivery carrierin this study we investigate interaction of tamoxifen with open-end of ...
the interaction of dppa which is an important component in cellular membrane with molecules of water asmedia, cause some changes in geometry of dppa .in this study we focused our attention on comparing thismolecule with related hydrated complexes employing different basis sets at hartree-fock levels of theory. thetheoretical nmr shielding tensor of some imported atoms were also reported.
پروتئین ها ماکرومولکول های فعال بیولوژی هستند که اعمال مهم در ارگانیسم ها را انجام می دهند. مسئله تاخوردگی پروتئین ها یک فرآیند ضروری در ارگانیسم ها می باشد که می تواند به کمک فتوایزومریزاسیون برگشت پذیر کروموفور (یک سوئیچ مولکولی) متصل به پپتید بررسی گردد. در این تحقیق، زنجیره پپتیدی ala–cys–ala–thr–cys–asp–gly–phe (اسیدهای آمینه 141-134 از پروتئین تیوردوکسین ردوکتاز باکتری اشریشیا کلی) پس ا...
to investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes b16n16 was optimized with hybrid density functional theory (b3lyp) using the epr-ii basis set, then cu, cu+, cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...
in this research, we studied the structure, properties and nmr parameters of interaction f2 gas with pristine and 3c-doped (8, 0) zigzag models of boron phosphide nanotubes (bpnts). in order to reach these aims, we considered four different configurations for adsorption of f2gas on the outer and inner surfaces of bpnts. the structures of all models were optimized by using density functional the...
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