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排序方式: 共有1780条查询结果,搜索用时 15 毫秒
1.
Leonor Contreras Ignacio Villarroel Camila Torres Roberto Rozas 《Molecules (Basel, Switzerland)》2021,26(6)
Doxorubicin (DOX), a recognized anticancer drug, forms stable associations with carbon nanotubes (CNTs). CNTs when properly functionalized have the ability to anchor directly in cancerous tumors where the release of the drug occurs thanks to the tumor slightly acidic pH. Herein, we study the armchair and zigzag CNTs with Stone–Wales (SW) defects to rank their ability to encapsulate DOX by determining the DOX-CNT binding free energies using the MM/PBSA and MM/GBSA methods implemented in AMBER16. We investigate also the chiral CNTs with haeckelite defects. Each haeckelite defect consists of a pair of square and octagonal rings. The armchair and zigzag CNT with SW defects and chiral nanotubes with haeckelite defects predict DOX-CNT interactions that depend on the length of the nanotube, the number of present defects and nitrogen doping. Chiral nanotubes having two haeckelite defects reveal a clear dependence on the nitrogen content with DOX-CNT interaction forces decreasing in the order 0N > 4N > 8N. These results contribute to a further understanding of drug-nanotube interactions and to the design of new drug delivery systems based on CNTs. 相似文献
2.
Vinod Kumar Pragya Das R.P. Singh S. Muralithar R.K. Bhowmik 《The European Physical Journal A - Hadrons and Nuclei》2003,17(2):153-157
The fusion evaporation reaction 122Sn(14N, 4n)132La was used to populate the high-spin states of 132La at the beam energy of 60 MeV. A new band consisting of mostly E2 transitions has been discovered. This band has the interesting links to the ground state 2- and the isomeric state 6-. A new transition of energy 351 keV connecting the low-spin states of the positive-parity band based on the πh
11/2 ⊗ νh
11/2 particle configuration, has been found. This has played a very important role in resolving the existing ambiguities and inconsistencies
in the spin assignment of the band head.
Received: 12 August 2002 / Accepted: 18 March 2003 / Published online: 7 May 2003 相似文献
3.
Ibrahim Erol 《Journal of polymer science. Part A, Polymer chemistry》2004,42(13):3157-3169
A new type of methacrylate monomer, [2‐oxo‐2‐(4‐acetyl) phenyl amino] ethylene methacrylate (APEMA), was synthesized. The oxime, 2,4‐dinitrophenylhydrazone, and thiosemicarbazone derivatives of poly{[2‐oxo‐2‐(4‐acetyl) phenyl amino] ethylene methacrylate} [poly(APEMA)] were prepared with hydroxylamine hydrochloride, 2,4‐dinitrophenylhydrazine, and thiosemicarbazone hydrochloride, respectively. The radical homopolymerization of APEMA was performed at 65 °C in a 1,4‐dioxane solution with benzoyl peroxide as an initiator. The monomer and its homopolymer were characterized with Fourier transform infrared and NMR techniques. The thermal stabilities of poly(APEMA) and its derivatives were investigated with thermogravimetric analysis and differential scanning calorimetry. The ultraviolet stability of the polymers were compared. The solubility and inherent viscosity of the polymers were also determined. The number‐average and weight‐average molecular weights and polydispersity index of the polymers were determined with gel permeation chromatography. The antibacterial and antifungal effects of the monomer and the polymer and its derivatives were also investigated on various bacteria and fungi. The activation energies of the thermal degradation of the polymers were calculated with the Ozawa method. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3157–3169, 2004 相似文献
4.
B. Sun Yu. A. Litvinov P. M. Walker K. Beckert P. Beller F. Bosch D. Boutin C. Brandau L. Chen C. Dimopoulou H. Geissel R. Knöbel C. Kozhuharov J. Kurcewicz S. A. Litvinov M. Mazzocco J. Meng C. Nociforo F. Nolden W. R. Plass C. Scheidenberger M. Steck H. Weick M. Winkler 《The European Physical Journal A - Hadrons and Nuclei》2007,31(3):393-394
A new long-lived isomeric state in the near proton dripline nucleus 125Ce has been identified with Schottky mass spectrometry at GSI. The excitation energy E
* = 103(12)keV and the decay time of 193(1)s have been obtained from a single stored fully ionized 125m
Ce58+ ion. The data implies an E3 transition and a 1/2+ assignment for the spin of the isomer. 相似文献
5.
D. Kast A. Jungclaus K.P. Lieb M. Górska G. de Angelis P.G. Bizzeti A. Dewald C. Fahlander H. Grawe R. Peusquens M. De Poli H. Tiesler 《The European Physical Journal A - Hadrons and Nuclei》1998,3(2):115-128
In the neutron deficient isotopes 104,105In lifetimes of high spin states in the range from 0.5 ps to 600 ps have been measured in a coincidence recoil distance Doppler
shift (RDDS) experiment. By combining the Doppler shift attenuation (DSA) and RDDS methods at few μm flight distances, the
problem of delayed feeding has been avoided and very short lifetimes in the range 0.5–0.8 ps have been determined. Shell model
calculations with strong restrictions for the neutron orbitals reveal good agreement with experimental level energies and
still fair agreement for most measured B(M1) and B(E2) values.
Received: 30 June 1998 相似文献
6.
Summary Multiconfigurational second order perturbation theory (CASSCF/CASPT2) has been used to investigate the dependence of computed valence excitation energies and transition moments on the basis sets. Pyrazine has been selected as the test molecule. Atomic normal orbital (ANO) type basis sets are used throughout. Contractions of the structure (4s3p1d/2s) are found to be an optimal compromise between the quality and the size of the calculations and are capable of yielding results virtually identical to more extended basis sets. 相似文献
7.
Dávid Szegvári Romána Zelkó Péter Horváth András Gergely 《Journal of inclusion phenomena and macrocyclic chemistry》2007,57(1-4):169-172
Enantioselective solubility of rac-norgestrel was found in the presence of γ-cyclodextrin or hydroxypropyl-γ-cyclodextrin.
In both cases the efficacious enantiomer was dissolved in greater extent. Calculating the molar absorptivity and molar ellipticity
spectra of the γ- and hydroxypropyl-γ-cyclodextrin aqueous complexes, a simple and rapid direct circular dichroism (CD) spectrometric
method was obtained for the determination of the enantiomer ratio in aqueous solutions. 相似文献
8.
Leyla Özdemir Güldem Ürer 《Journal of Quantitative Spectroscopy & Radiative Transfer》2007,103(2):281-301
Multiconfiguration Hartree-Fock calculations with Breit-Pauli relativistic corrections are reported for electric dipole transition (E1) energies, wavelengths, weighted oscillator strengths and transition probabilities between all of the 1s2, 1sns and 1snp (2?n?9) states for He-like silicon. The results are found to compare very well with available other results except Δn=0 due to differences in the calculated excitation energies. 相似文献
9.
B.E. Rhoades 《Journal of Mathematical Analysis and Applications》2003,277(1):375-378
We modify some of the conditions of the theorem to make it more applicable. 相似文献
10.
M. Sugawara H. Kusakari T. Murakami T. Kohno 《The European Physical Journal A - Hadrons and Nuclei》1998,1(3):237-239
A new rotational band has been observed in 167Lu by 152Sm (19F,4n)reaction at the HI-13 tandem accelerator of CIAE in Beijing. The high spin transition energies of the new band are almost
identical to the triaxial superdeformed bands recently discovered in 163Lu and 165Lu. This new band is predicted as a triaxial superdeformed band by total routhian surface calculations.
Received: 6 October 1997 相似文献