A New Anthraquinone from Clinopodium polycephalum Glyceroyl-1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracene Carboxylate

ClnOPodiumpoIycePhalum(VantjCYWhetHsuancalled'DuanXielin'inChineseisusedinfolkmedicineforthetreatInentofhaemorrhagiadisease.lInordertofmdtheactivecomPounds,studiesonthechedricalconstituentsofthewholeplan,collectedatHuoShanofAnhuiprovince,werecarriedout.Fromthealcoholicextracts,wehaveisolatedanewanthraquinone,Glyceroyl-l,6,8-trihydroxy-3-methyl-9)lO-dioxo-2-anthrcenecarboxylateI(Figurel).Iwasobtainedasredneedles,mP:ll9-l2l"C.TheHR-MSdareaffordedthefor-mulaasCl9Hl6O9(Found388.O791;…     

Acoustooptic extension of the frequency tunability of CW CO2 lasers: New FIR lasers emissions from CH3OH and13CH3OH

We have increased the frequency tunability of our CW waveguide CO₂ lasers by means of an acoustooptic amplitude modulator, operating at the fixed frequency of 90 MHz. The up-shifted, or down-shifted, laser optical sideband can be generated independently by adjusting the orientation of the modulator. The efficiency is larger than 50%. The frequency tunability of the CO₂ laser around each laser line is thus increased by 180 MHz. To demonstrate the possibilities of this method, a source composed of the above modulator and of a CW, 300 MHz tunable waveguide CO₂ laser has been used for the search of new large offset FIR laser lines from optically pumped CH₃OH and¹³CH₃OH molecules. As a result 15 and 10 new large offset laser lines were discovered respectively. New assignments of some laser lines are also proposed. We have also measured the Stark effect, the offset, and the polarization of other already known lines. In particular a Stark effect frequency tuning of about 1 GHz is demonstrated for a laser line at 208.399 m.     

Optoacoustic Laser Stark spectroscopy and FIR laser action on CH3Br using a waveguide CO2 laser

The optoacoustic spectrum of CH₃Br around 10 m band lines of a tunable cw waveguide CO₂ laser is investigated. Several new infrared absorptions are observed and most of the correspond ing molecular transitions are assigned. Far infra red laser action is reported by pumping with the same CO₂ laser: pump offsets are given using the Transferred Lambs dip (TLD) technique. A new FIR laser emission is obtained and assigned. An optoacoustic Laser Stark spectroscopy technique is used to investigate off resonance infrared tran sitions.     

Toroid type high-pressure device: history and prospects

The Toroid type high-pressure device and its predecessor, the Chechevitsa (lentil) type high-pressure device, are known to be used efficiently for the synthesis of new materials in recent decades. It was through the Chechevitsa device the first ultradense modification of silica, ‘stishovite’, was obtained. Both devices were essential for the industrial production of superhard materials in the USSR and other socialist countries. In 1980s, almost half of the world synthetic diamond and c-BN products were manufactured by these devices. However, the application of the Toroid device for examining the structure and physical properties of highly compressed substances has been considerably less appreciated. Meanwhile, the device has some unique features that have made possible 35-years of an extensive investigation of physical properties of substances at pressures up to 150 kbar, including electron transport and thermodynamic properties, elastic characteristics, viscosity, thermo-conductivity and other physical properties. Also, the device has been widely employed for structural X-ray and neutron diffraction studies of many materials. But it is not until recently that the convenience of the Toroid device for physical studies has been fully recognized. Through this recognition, the Toroid type device is today becoming increasingly popular among the researchers in the field of high pressures around the world.     

Electrical Conduction Mechanisms of MxPS3, M1−xM'xPS3 and their Intercalation Compounds

Abstract

In the M_xPS₃ and M_1?xM'_xPS₃ systems, the P₂S₆ cluster contributes to the poor electrical conductivity for the compounds in which the energy level of the metal 3d orbital is deeper than those of the P, S 3p orbitals. For the compounds in which metal 3d orbital is closed to P and S 3p orbitals and has mixed valency, the induced mixed valency of P₂S₆, cluster and/or hopping mechanism contribute to the electrical conductivity. In the organic electron donor intercalation into M_xPS₃ and M_1?xM'_xPS₃ compounds, the new intercalation reaction is discovered, in which formation of tris-complexes of metal ions with guest molecules occurs in the host interlayer.     

Investigating undergraduate mathematics learners’ cognitive engagement with recorded lecture videos

The use of recorded lecture videos (RLVs) in mathematics instruction continues to advance. Prior research at the post-secondary level has indicated a tendency for RLV use in mathematics to be negatively correlated with academic performance, although it is unclear whether this is because regular users are generally weaker mathematics students or because RLV use is somehow depressing student learning. Through the lens of cognitive engagement, a quasi-experimental pre- and post-test design study was conducted to investigate the latter possibility.

Cognitive engagement was operationalized using the Revised Two-Factor Study Process Questionnaire (R-SPQ-2F), which measures learning approaches on two major scales: surface and deep. In two mathematics courses at two universities, in Australia and the UK, participants were administered the questionnaire near the course start and finish. Overall findings were similar in both contexts: a reduction in live lecture attendance coupled with a dependence on RLVs was associated with an increase in surface approaches to learning.

This study has important implications for future pedagogical development and adds to the sense of urgency regarding research into best practices using RLVs in mathematics.     

HZ associated production with decay in the Alternative Left-Right Model at CEPC and future linear colliders

In this study, Higgs and Z boson associated production with subsequent decay is attempted in the framework of alternative left-right model, which is motivated by superstring-inspired E_6 model at CEPC and future linear colliders. We systematically analyze each decay channel of Higgs with theoretical constraints and latest experimental methods. Due to the mixing of scalars in the Higgs sector, charged Higgs bosons can play an essential role in the phenomenological analysis of this process. Even though the predictions of this model for the signal strengths of this process are close to the standard model expectations, it can be distinct under high luminosity.     

MOVIPAC: Vibrational spectroscopy with a robust meta‐program for massively parallel standard and inverse calculations

We present the software package MO VI PAC for calculations of vibrational spectra, namely infrared, Raman, and Raman Optical Activity (ROA) spectra, in a massively parallelized fashion. MO VI PAC unites the latest versions of the programs SNF and AKIRA alongside with a range of helpful add‐ons to analyze and interpret the data obtained in the calculations. With its efficient parallelization and meta‐program design, MO VI PAC focuses in particular on the calculation of vibrational spectra of very large molecules containing on the order of a hundred atoms. For this purpose, it also offers different subsystem approaches such as Mode‐ and Intensity‐Tracking to selectively calculate specific features of the full spectrum. Furthermore, an approximation to the entire spectrum can be obtained using the Cartesian Tensor Transfer Method. We illustrate these capabilities using the example of a large π‐helix consisting of 20 (S)‐alanine residues. In particular, we investigate the ROA spectrum of this structure and compare it to the spectra of α‐ and 3₁₀‐helical analogs. © 2012 Wiley Periodicals, Inc.     

U.S. EPA Regulatory Perspectives on the Use of QSAR for New and Existing Chemical Evaluations

Abstract

As testing is not required, ecotoxicity or fate data are available for ≈ 5% of the approximately 2,300 new chemicals/year (26,000 + total) submitted to the US-EPA. The EPA's Office of Pollution Prevention and Toxics (OPPT) regulatory program was forced to develop and rely upon QSARs to estimate the ecotoxicity and fate of most of the new chemicals evaluated for hazard and risk assessment. QSAR methods routinely result in ecotoxicity estimations of acute and chronic toxicity to fish, aquatic invertebrates, and algae, and in fate estimations of physical/chemical properties, degradation, and bioconcentration. The EPA's Toxic Substances Control Act (TSCA) Inventory of existing chemicals currently lists over 72,000 chemicals. Most existing chemicals also appear to have little or no ecotoxicity or fate data available and the OPPT new chemical QSAR methods now provide predictions and cross-checks of test data for the regulation of existing chemicals. Examples include the Toxics Release Inventory (TRI), the Design for the Environment (DfE), and the OECD/SIDS/HPV Programs. QSAR screening of the TSCA Inventory has prioritized thousands of existing chemicals for possible regulatory testing of: 1) persistent bioaccumulative chemicals, and 2) the high ecotoxicity of specific discrete organic chemicals.