Vibration–rotation variational calculations: precise results on HCN up to 25 000 cm−1

Variation calculations of the vibration–rotation energy levels of many isotopomers of HCN are reported, for J=0, 1, and 2, extending up to approximately 8 quanta of each of the stretching vibrations and 14 quanta of the bending mode. The force field, which is represented as a polynomial expansion in Morse coordinates for the bond stretches and even powers of the angle bend, has been refined by least squares to fit simultaneously all observed data on the Σ and Π state vibrational energies, and the Σ state rotational constants, for both HCN and DCN. The observed vibrational energies are fitted to roughly ±0.5 cm−1, and the rotational constants to roughly ±0.0001 cm−1. The force field has been used to predict the vibration rotation spectra of many isotopomers of HCN up to 25 000 cm−1. The results are consistent with the axis‐switching assignments of some weak overtone bands reported recently by Jonas, Yang, and Wodtke, and they also fit and provide the assignment for recent observations by Romanini and Lehmann of very weak absorption bands above 20 000 cm−1.

Improved and optimal dual circular 32-QAM for MB-OFDM

Quadrature Phase Shift Keying (QPSK) and Dual Carrier Modulation (DCM) are currently used as the modulation schemes for Multiband Orthogonal Frequency Division Multiplexing (MB-OFDM) in the ECMA-368 defined Ultra-Wideband (UWB) radio platform. ECMA-368 has been chosen as the physical radio platform for many systems including Wireless USB (W-USB), Bluetooth 3.0 and Wireless HDMI; hence ECMA-368 is an important issue to consumer electronics and the users’ experience of these products. To enable the transport of high-rate USB, ECMA-368 offers up to 480 Mb/s instantaneous bit rate to the Medium Access Control (MAC) layer, but depending on radio channel conditions dropped packets unfortunately result in a lower throughput. This paper presents improvement on a high data rate modulation scheme that fits within the configuration of the current standard increasing system throughput by achieving 600 Mb/s (reliable to 3.2 meters) thus maintaining the high rate USB throughput even with a moderate level of dropped packets. The modulation system is termed improved and optimal Dual Circular 32-QAM (DC 32-QAM). The system performance for improved and optimal DC 32-QAM modulation is presented and compared with previous DC 32- QAM, 16-QAM and DCM.

Dual carrier modulation soft demapper

An Orthogonal Frequency Division Multiplexing (OFDM) communication system with a transmitter and a receiver. The transmitter is arranged to transmit channel estimation sequences on each of a plurality of band groups, or bands, and to transmit data on each of the band groups or bands. The receiver is arranged to receive the channel estimation sequences for each band group or band to calculate channel state information from each of the channel estimation sequences transmitted on that band group or band and to form an average channel state information. The receiver receives the transmitted data, transforms the received data into the frequency domain, equalizes the received data using the channel state information, demaps the equalized data to re-construct the received data as soft bits and modifies the soft bits using the averaged channel state information.

Fixed point dual carrier modulation performance for wireless USB

Dual Carrier Modulation (DCM) is currently used as the higher data rate modulation scheme for Multiband Orthogonal Frequency Division Multiplexing (MB-OFDM) in the ECMA-368 defined Ultra-Wideband (UWB) radio platform. ECMA-368 has been chosen as the physical radio platform for many systems including Wireless USB (W-USB), Bluetooth 3.0 and Wireless HDMI; hence ECMA-368 is an important issue to consumer electronics and the user’s experience of these products. In this paper, Log Likelihood Ratio (LLR) demapping method is used for the DCM demaper implemented in fixed point model. Channel State Information (CSI) aided scheme coupled with the band hopping information is used as the further technique to improve the DCM demapping performance. The receiver performance for the fixed point DCM is simulated in realistic multi-path environments.

Simultaneous observations of reconnection pulses at Cluster and their effects on the cusp aurora seen at Chinese Yellow River Station

While the Cluster spacecraft were located near the high-latitude magnetopause, between 10:10 and 10:40 UT on 16 January 2004, three typical flux transfer event (FTE) signatures were observed. During this interval, simultaneous and conjugated all-sky camera measurements, recorded at Yellow River Station, Svalbard, are available at 630.0 and 557.7nm that show poleward-moving auroral forms (PMAFs), consistent with magnetic reconnection at dayside magnetopause. Simultaneous FTEs seen at the magnetopause mainly move northward, but having duskward (eastward) and tailward velocity components, roughly consistent with the observed direction of motion of the PMAFs in all-sky images. Between the PMAFs meridional keograms, extracted from the all-sky images, show intervals of lower intensity aurora which migrate equatorward just before the PMAFs intensify. This is strong evidence for an equatorward eroding and poleward moving open-closed boundary (OCB) associated with a variable magnetopause reconnection rate under variable IMF conditions. From the durations of the PMAFs we infer that the evolution time of FTEs is 5-11 minutes from its origin on magnetopause to its addition to the polar cap.

Macrophage antioxidant protection within atherosclerotic plaques

Macrophage cells within inflammatory lesions are exposed to a wide range of degrading and cytotoxic molecules including reactive oxygen species. Unlike neutrophils, macrophages do not normally die in this environment but continue to generate oxidants, phagocytose cellular remains, and release a range of cytoactive agents which modulate the immune response. It is this potential of the macrophage cell to survive in an oxidative environment that allows the growth and complexity of advanced atherosclerotic plaques. This review will examine the oxidants encountered by macrophages within an atherosclerotic plaque and describe some of the potential antioxidant mechanisms which enable macrophages to function within inflammatory lesions. Ascorbate, alpha-tocopherol, and glutathione appear to be central to the protection of macrophages yet additional antioxidant mechanisms appear to be involved. gamma-Interferon causes macrophages to generate 7,8dihydroneopterin/neopterin and 3-hydroxyanthranilic acid both of which have antioxidant properties. Manganese superoxide dismutase is also upregulated in macrophages. The evidence that these antioxidants provide further protection, so allowing the macrophage cells to survive within sites of chronic inflammation such as atherosclerotic plaques, will be described.

Coxsackievirus B3-associated myocardial pathology and viral load reduced by recombinant soluble human decay-accelerating factor in mice

Coxsackievirus B3 (CVB3) infection can result in myocarditis, which in turn may lead to a protracted immune response and subsequent dilated cardiomyopathy. Human decay-accelerating factor (DAF), a binding receptor for CVB3, was synthesized as a soluble IgG1-Fc fusion protein (DAF-Fc). In vitro, DAF-Fc was able to inhibit complement activity and block infection by CVB3, although blockade of infection varied widely among strains of CVB3. To determine the effects of DAF-Fc in vivo, 40 adolescent A/J mice were infected with a myopathic strain of CVB3 and given DAF-Fc treatment 3 days before infection, during infection, or 3 days after infection; the mice were compared with virus alone and sham-infected animals. Sections of heart, spleen, kidney, pancreas, and liver were stained with hematoxylin and eosin and submitted to in situ hybridization for both positive-strand and negative-strand viral RNA to determine the extent of myocarditis and viral infection, respectively. Salient histopathologic features, including myocardial lesion area, cell death, calcification and inflammatory cell infiltration, pancreatitis, and hepatitis were scored without knowledge of the experimental groups. DAF-Fc treatment of mice either preceding or concurrent with CVB3 infection resulted in a significant decrease in myocardial lesion area and cell death and a reduction in the presence of viral RNA. All DAF-Fc treatment groups had reduced infectious CVB3 recoverable from the heart after infection. DAF-Fc may be a novel therapeutic agent for active myocarditis and acute dilated cardiomyopathy if given early in the infectious period, although more studies are needed to determine its mechanism and efficacy.

A rheological and SAXS study of the lamellar order in a side-on liquid crystalline block copolymer

We study the structure and shear flow behavior of a side-on liquid crystalline triblock copolymer, named PBA-b-PA444-b-PBA (PBA is poly(butyl acrylate) and PA444 is a poly(acrylate) with a nematic liquid crystal side-on mesogen), in the self-assembled lamellar phase and in the disordered phase. Simultaneous oscillatory shear and small-angle X-ray scattering experiments show that shearing PBA-b-PA444-b-PBA at high frequency and strain amplitudes leads to the alignment of the lamellae with normals perpendicular to the shear direction and to the velocity gradient direction, i.e., in the perpendicular orientation. The order-to-disorder transition temperature (T-ODT) is independent of the applied strain, in contrast to results reported in the literature for coil-coil diblock copolymers, which show an increase in T-ODT with shear rate. It is possible that in our system, T-ODT does not depend on the applied strain because the fluctuations are weaker than those present in coil-coil diblock copolymer systems.

A SAXS study of the structure of gels formed by mixtures of polyoxyalkylene triblock copolymers

Small-angle X-ray scattering was used to characterise aqueous micellar gels of triblock copolymers E137S18E137, E82S9E82, E76S5E76, E62P39E62, and of two mixtures: E137S18E137 and E62P39E62 (Mix 1) and ES2S9E82 and E62P39E62 (Mix 2), each 50/50 wt%. E = oxyethylene, CH2CH2O; S = oxyphenylethylene, OCH2CH(C6H5); and P = oxypropylene, OCH2CH(CH3)- Within the concentration and temperature ranges investigated (30-40 wt% copolymer, 20-80 degrees C), spherical micelles of copolymers E137S18E137, E82S9ES2 and E62P39E62 packed into bodycentred cubic (BCC) structures. Gels of E76S5E76 were stable only at high concentrations and low temperatures, and a 70 wt/o copolymer solution at T = 30 degrees C formed a hexagonal gel consistent with cylindrical micelles. It is likely that the mixed copolymers would form two distributions of micelles, and more complex structures were expected. However, gels of Mix 2 had well-ordered BCC structures, while the less ordered gels of Mix 1 were also best characterised as BCC. (c) 2006 Society of Chemical Industry.

A DFT study of propylene polymerization using neutral salicyladiminato nickel(II) and palladium(II) as catalysts

Propylene polymerization using salicyladiminato metal catalalysts has been studied using density functional theory at the B3LYP/LANL2DZ level. In particular, the effects on the reaction mechanisms of changing the metal from Pd(II) to Ni(II) have been investigated. While the reaction mechanisms involving the salicyladiminato Ni(II) catalyst have been found to be similar to those established previously for the salicyladiminato Pd(II) catalyst, the nickel catalyst was found to differentiate the trans-O intermediate from the trans-.N intermediate with an energy difference of 46.63 U mol(-1) significantly more than the palladium catalyst for which the energy difference was calculated as 35.82 kJ mol(-1). The energy difference between the trans-O configuration and the trans-N configuration is decreased significantly when combining a molecule of propylene with the catalyst. For the Ni catalyst, the trans-O isomer is more stable than the trans-N isomer to a greater extent than for Pd, so that the insertion of propylene from 20 is relatively less favoured for Ni than for Pd. It is predicted that the mechanism of isomerization from 20 to 2N through a rotational transition state TS2O2N is more appropriate for the Ni catalyst system. The palladium system shows a larger preference for pi-coordination than its nickel counterpart, although the latter possesses a lower reaction barrier. It was found that the occupation of the trans-O position in the asymmetric salicyladiminato catalyst is also more favored by the alkene as it is by the alkyl so that insertion of the alkene may always start from a particular configuration so that specific products are obtained. (c) 2005 Elsevier B.V. All rights reserved.

Block copolymers of ethylene oxide and phenyl glycidyl ether: micellization, gelation, and drug solubilization

Three triblock copolymers of ethylene oxide and phenyl glycidyl ether, type E(m)G(n)E(m), where G = OCH2-CH(CH2OC6H5) and E = OCH2CH2, were synthesized and characterized by gel-permeation chromatography, matrix-assisted laser desorption ionization time-of-flight mass spectrometry, and NMR spectroscopy. Their association properties in aqueous solution were investigated by surface tensiometry and light scattering, yielding values of the critical micelle concentration (cmc), the hydrodynamic radius, and the association number. Gel boundaries in concentrated micellar solution were investigated by tube inversion, and for one copolymer, the temperature and frequency dependence of the dynamic moduli served to confirm and extend the phase diagram and to highlight gel properties. Small-angle X-ray scattering was used to investigate gel structure. The overall aim of the work was to define a block copolymer micellar system with better solubilization capacity for poorly soluble aromatic drugs than had been achieved so far by use of block copoly(oxyalkylene)s. Judged by the solubilization of griseofulvin in aqueous solutions of the E(m)G(n)E(m) copolymers, this aim was achieved.

Ventilation rates in schools

Research shows that poor indoor air quality in school buildings can cause a reduction in the students' performance assessed by short term computer based tests; whereas good air quality in classrooms can enhance children's concentration and also teachers' productivity. Investigation of air quality in classrooms helps us to characterise pollutant levels and implement corrective measures. Outdoor pollution, ventilation equipment, furnishings, and human activities affect indoor air quality. In school classrooms the occupancy density is high (1.8 to 2.4 m(2)/person) compared to offices (10 m(2) /person). Ventilation systems expend energy and there is a trend to save energy by reducing ventilation rates. We need to establish the minimum acceptable level of fresh air required for the health of the occupants. This paper describes a project which will aim to investigate the effect of indoor air quality and ventilation rates on pupils' performance and health using psychological tests. The aim is to recommend suitable ventilation rates for classrooms and examine the suitability of the air quality guidelines for classrooms.

A method of weighting indicators in building energy efficiency assessment

This paper identifies the indicators of energy efficiency assessment in residential building in China through a wide literature review. Indicators are derived from three main sources: 1) The existing building assessment methods; 2)The existing Chinese standards and technology codes in building energy efficiency; 3)Academia research. As a result, we proposed an indicator list by refining the indicators in the above sources. Identified indicators are weighted by the group analytic hierarchy process (AHP) method. Group AHP method is implemented following key steps: Step 1: Experienced experts are selected to form a group; Step 2: A survey is implemented to collect the individual judgments on the importance of indicators in the group; Step 3: Members’ judgments are synthesized to the group judgments; Step 4: Indicators are weighted by AHP on the group judgments; Step 5: Investigation of consistency estimation shows that the consistency of the judgment matrix is accepted. We believe that the weighted indicators in this paper will provide important references to building energy efficiency assessment.