Molecular Dynamics Study of Interface Structure in Composites Comprising Surface‐Modified SiO2 Nanoparticles and a Polyimide Matrix

The method of atomistic molecular dynamics simulations is used to investigate the static properties of the organic–inorganic interface in a polymer nanocomposite consisting of polyimide and silica nanoparticles with modified surface. Alkylsilane chains are used as the surface modifiers. The surface density and chains length of the modifier are the main parameters of the simulations. For simplicity, the model of the composite has been constructed as a polymer layer sandwiched between two solid surfaces. Our results show that one can change the properties of the interface between the polymer matrix and the inorganic filler by choosing the molecular weight and surface density of the modifier.

     

Parotid perfusion in nasopharyngeal carcinoma patients in early-to-intermediate stage after low-dose intensity-modulated radiotherapy: Evaluated by fat-saturated dynamic contrast-enhanced magnetic resonance imaging

PurposeTo investigate parotid perfusion in early-to-intermediate stage after parotid-sparing radiation dose using fat-saturated DCE-MRI, and to verify whether the perfusion alteration was related to radiation dose and the PSV.Methods and MaterialsThirty-two parotid glands from 16 consecutive patients with pathologically proven nasopharyngeal carcinoma treated by IMRT were examined. The parotid glands received a radiation dose of 28.9 ± 3.9 Gy with a PSV of 43.1% ± 13.9%. Perfusion parameters were calculated using time-shifted Brix model from fat-saturated DCE-MRI data before (pre-RT) and in early-to-intermediate stage after (post-RT) IMRT. Paired t-test was used to evaluate perfusion changes, while Pearson's correlation test was used to examine perfusion dependency on radiation dose and PSV. For multiple comparisons Bonferroni correction was applied.ResultsSuccessful fat saturation was achieved in 29 of 32 parotid glands. Compared with pre-RT, the post-RT parotid glands showed significantly higher A, peak enhancement, and wash-in slope, plus a lower K_el, suggesting a mixed effect of increased vascular permeability and acinar loss. Linear regression showed that peak enhancement was positively associated with radiation dose in post-RT parotid glands. K_el and slope were negatively associated with PSV, while time-to-peak was positively associated with PSV significantly.ConclusionsOur results suggest that time-shifted Brix model is feasible for quantifying parotid perfusion using DCE-MRI. The perfusion alterations in early-to-intermediate stage after IMRT might be related to a mixed effect of increased vascular permeability and acinar loss with dose and PSV dependencies.     

Tetrahydrofuran Activation Assisted Synthesis of Nanosized Lithium Niobate and Lithium Tantalate

Black solid precursors obtained from reactions between MCl₅ (M = Nb, Ta) and alkyllithiums, n‐butyllithium (ⁿBuLi) and ethyllithium (EtLi), in tetrahydrofuran (THF) were heat treated under vacuum at 673–973 K to form nano‐sized particles (20–100 nm in diameter) of lithium niobate (LiNbO₃) and lithium tantalate (LiTaO₃). Stoichiometry of the reactants is critical and affects the phases of the products. Based on the volatile byproducts detected, a reaction pathway involving the activation of THF by alkyllithiums is proposed to be important for the formation of LiNbO₃ and LiTaO₃ precursors.     

A study of the relationship between competitiveness and technological innovation capability based on DEA models

Researchers and managers have been searching for appropriate methods to explore the relationship between technological innovation capability and competitiveness in recent years. This study attempts to find a systematic quantitative methodology to tackle this problem. In a recent survey covering 182 industrial innovative firms in China, the traditional data envelopment analysis (DEA) model was employed to analyze the data collected. The research results show that only 16% of the enterprises operate on the best-practice frontier and there are some inconsistencies between organizational innovation capability and competitiveness in many enterprises. Decreasing returns to scale were found among about 70% of the inefficient enterprises and increasing returns to scale were found among the remaining 30% of the inefficient enterprises. Thus the internal innovation harmonizing process in these enterprises is considerably inefficient. Based on the restricted ranges of the input/output factors, a multi-objective DEA projection model has also been developed in this study to provide a benchmark for auditing competitiveness. Research results further indicate that there is still much room for enterprises to improve competitiveness in situations of confining score ranges of technological innovation capability and competitiveness.     

Improvements in ion-trap chemical-ionization performance.

Ion-trap chemical-ionization performance has been improved by application of a modified scan function for the rejection of the undesired electron-ionization-like (EI-like) ions formed at the beginning of the reaction ionization period. The net effect of this software modification to the automatic reaction control is to produce chemical ionization (CI) spectra that are no longer adulterated with concentration-dependent EI-like ions. Under such improved conditions, CI spectra from an ion trap can now be directly compared with CI spectra produced on conventional quadrupole and magnet-scanning instruments.     

Morphology and temperature responsiveness–swelling relationship of poly(N‐isopropylamide–chitosan) copolymers and their application to drug release

Poly [N‐isopropylacrylamide (NIPAAm)–chitosan] crosslinked copolymer particles were synthesized by soapless emulsion copolymerization of NIPAAm and chitosan. An anionic initiator [ammonium persulfate (APS)] and a cationic initiator [2,2′‐azobis(2‐methylpropionamidine)dihydrochloride (AIBA)] were used to initiate the reaction of copolymerization. The chitosan–NIPAAm copolymer synthesized by using APS as the initiator showed a homogeneous morphology and exhibited the characteristic of a lower critical solution temperature (LCST). The copolymer synthesized by using AIBA as an initiator showed a core–shell morphology, and the characteristic of LCST was insignificant. The LCST of the chitosan–NIPAAm copolymer depended on the morphology of the copolymer particles. In addition, the chitosan–NIPAAm copolymer particles were processed to form copolymer disks. Then, the effect of various variables such as the chitosan/NIPAAm weight ratio, the concentration of crosslinking agent, and the pH values on the swelling ratio of chitosan–NIPAAm copolymer disks were investigated. Furthermore, caffeine was used as the model drug to study the characteristics of drug loading of the chitosan–NIPAAm copolymer disks. Variables such as the chitosan/NIPAAm weight ratio and the concentration of the crosslinking agent significantly influenced the behavior of caffeine loading. Two factors (pore size and swelling ratio) affected the behavior of caffeine release from the chitosan–NIPAAm copolymer disks. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 3029–3037, 2004     

One Alkenylphenol and Steroids from the Aquatic Plant Monochoria Vaginalis

Two new compounds have been isolated from the whole plant of Monochoria vaginalis and characterized as: (10Z)‐1‐(2,6‐dihydroxyphenyl)octadec‐10‐en‐1‐one ( 1 ) (20R, 24R)‐campest‐5‐ene‐3β, 4β‐diol ( 2 ) together with nine known ones. The structures of these compounds were elucidated on the basis of spectral data and chemical evidence.