Molecular design of ambipolar redox-active molecules II: closed-shell systems

This mini-review highlights key structural features that should be taken into account when creating ambipolar redox-active closed-shell metal-free molecules. This type of compound is strongly required for the fabrication of all-organic ‘poleless’ batteries and semiconductors. The suggested strategies aimed at stabilization of both oxidized (cationic) and reduced (anionic) redox-states are based on the comprehensive analysis of the most successful structures taken from the recent publications.     

A gold-based nanobeacon probe for fluorescence sensing of organophosphorus pesticides

A nanomaterials-based novel molecular beacon has attracted growing attentions in fluorescent assays as many nanomaterials possess excellent quenching efficiency. In this work, a gold-based nanobeacon probe was established to detect organophosphorus pesticides for the first time. The constructed gold-based nanobeacon acted as a signal indicator and could display the decreasing of the intensity in the presence of targets, which competitively bound to single strand DNA. To achieve a high sensitive probe, some parameters including solution pH, temperature and reaction time were investigated and optimized. The gold-based nanobeacon probe assay was proved to be rapid and sensitive to achieve a detection limit of 0.035 μM for isocarbophos, 0.134 μM for profenofos, 0.384 μM for phorate and 2.35 μM for omethoate, respectively. The prepared nanobeacon effectively reduced the background and improved the detection sensitivity and selectivity. The probe is stable, easy to operate and does not need sophisticated instruments. These features makes the probe feasible for screening trace organophosphorus pesticides in real samples.     

First principles investigations of Fe,Co, Ni in model honeycomb carbon networks

The behaviors of ferromagnetic transition metals of the first period: Fe, Co and Ni are examined within density functional theory calculations in two dimensional carbon extended networks using model structure LiC₆. Around geometry optimized structures, the energy-volume equations of states considering non magnetic and spin polarized configurations established ferromagnetic ground states with magnetizations –reduced with respect to the metals’– of 2 μ_B for FeC₆ and 1 μ_B for CoC₆ while no magnetic solution could be identified for NiC₆. In the D_6h point group of the P6/mmm space group l_m decomposition of the d states results with increasing energy into doublet state E_1g with d(x²-y²) and d(xy); singlet state A_1g d(z²) and doublet state E_2g d(xz) and d(yz) lying on E_F and responsible of the onset of magnetic moments. This was mirrored via molecular orbital approach with a construct of Fe embedded between two extended carbon networks thus validating the model structure proposed for TC₆ compounds. The 100% polarization in one spin channel allows proposing potential uses in spintronics applications.     

双层桥梁耦合系统的强迫振动

本文研究作为双层桥模型的梁方程耦合系统，利用Ｌｅｒａｙ－Ｓｃｈａｕｄｅｒ不动点定理，得到了一个关于这种系统的解的存在性定理，它类似于ＭｃＫｅｎｎａ和Ｗａｌｔｅｒ文２中关于吊桥方程的一个定理。     

The Cooperative Molecular Field Effect

Two‐dimensional arrangements of molecules can show remarkable cooperative electronic effects. Such effects can serve to achieve direct electronic sensing of chemical and physical processes via electrostatic effects, i.e., without transfer of charge or matter between the locus of sensing and that of detection.     

Photonic crystal beam splitters

In this work, the beam splitter with two input ports and two output ports in two-dimensional photonic crystals is studied through the finite-difference time-domain method. The beam splitter consists of two orthogonally cross line defects. The diameter of the two diagonal air holes at the intersection of the two line defects was modified. The input light can be identically divided into the two output ports. The beam splitters can be applied in the photonic crystal Mach-Zehnder interferometers or photonic crystal optical switches.     

Germanium growth on Br-terminated Si(1 0 0)

The consequences of Ge deposition on Br-terminated Si(1 0 0) were studied with scanning tunneling microscopy at ambient temperature after annealing at 650 K. One monolayer of Br was sufficient to prevent the formation of Ge huts beyond the critical thickness of 3 ML. This is possible because Br acts as a surfactant whose presence lowered the diffusivity of Ge adatoms. Hindered mobility was manifest at low coverage through the formation of short Ge chains. Further deposition resulted in the extension and connection of the Ge chains and gave rise to the buildup of incomplete layers. The deposition of 7 ML of Ge resulted in a rough surface characterized by irregularly shaped clusters. A short 800 K anneal desorbed the Br and allowed Ge atoms to reorganize into the more energetically favorable “hut” structures produced by conventional Ge overlayer growth on Si(1 0 0).     

Charge transport in a polypeptide chain

Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance, and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations and successfully explains such action at a distance. Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002     

Algebraic methods in quantum mechanics: from molecules to polymers

We present a brief review of algebraic techniques developed and applied in molecular spectroscopy in the last five years. We also outline perspectives for new applications of the Lie algebraic method in the first decade of the new century. Received 21 November 2001     

A biogenetically patterned enantiospecific synthesis of allopupukeanones

The first enantiospecific synthesis of allopupukeanones has been accomplished starting from 6-methylcarvone. A biogenetically patterned rearrangement of a pupukeanane to allopupukeanane was employed as the key step.