Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach

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.     

Investigations of low- and high-spin states of <Superscript>132</Superscript>La

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     

Synthesis,characterization, and biological activity of [2‐oxo‐2‐(4‐acetyl) phenyl amino] ethylene methacrylate and its derivatives

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     

Discovery of a new long-lived isomeric state in 125Ce

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.     

元素在石墨炉内石墨探针表面上的原子化机理研究：Ⅶ.锗的原子化机理

本文应用Ｘ－射线衍射，Ｘ－射线光电子能谱，俄歇电子能谱和其它一些实验，考察石墨炉升温过程中氟化锗，锗酸钠在石墨探针表面上的形态变化，阐明了它们的原子化机理：ＧｅＦ２与Ｎａ２ＧｅＯ３首先分解为ＧｅＯ２，ＧｅＯ２还原为ＧｅＯ，后者在＞２４００Ｋ热分解产生自由态的锗原子，ＧｅＦ２和Ｎａ２ＧｅＯ３的原子化均源于ＧｅＯ（ｇ）的气相分解。原子化的升温过程中，在１４００－２４００Ｋ ＧｅＦ２和Ｎａ２ＧｅＯ３都产     

Lifetime study of high-spin states in 104,105In

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     

WLY100型顺序扫描ICP光谱仪设计方案的一些考虑

本文对国产ＷＬＹ１００型顺序扫描ＩＣＰ光谱仪在设计中对单色仪，高频发生器，扫描机构，测光系统，短紫外光域的测量，恒温，气流控制与软件编制等方案的选择作了详尽的阐述，稳妥的方案使研制工作顺利进行，保证整机一次成功。     

The excited states of pyrazine: A basis set study

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.     

Transition energies, wavelengths, oscillator strengths and transition probabilities between 1s, 1sns and 1snp (2?n?9) states for He-like Silicon

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.     

Lifetime measurement of the ((11/2)−) isomer in 125Cs

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