Search

Studies on GaAsBi-based devices have been deeply carried out in recent years, strongly driven by their excellent performance. Despite the growing interest in GaAsBi, the systematic researches on its vibrational and thermodynamic properties are still lacking. Hence, in this work, the structural, vibrational and thermodynamic properties of GaBixAs1-x are studied systematically by performing ab initio calculations. Firstly, the calculation structure constants of GaBixAs1-x are in accordance with other available data in the literature. Next, the results of the vibrational frequencies indicate that the phonon frequencies of GaBixAs1-x undergo a sharp decline when the bismuth concentration x is elevated. Besides the reduction of the phonon densities of states at the specified wave vector, the optical branches of GaBixAs1-x narrow and the attenuation of longitudinal modes is greater than that of transverse modes with the enhancement of the Bi concentration x. Then, the splitting degree $$\left( {\delta \omega } \right)$$ suggests that the ionic strength for GaBixAs1-x is declined when increasing the Bi composition. Finally, the thermodynamic functions of GaBixAs1-x ranging from $$\Delta F$$ , $$\Delta E$$ , $$C_{v}$$ and $$S$$ are predicted. In addition, the calculation values of the Debye temperature for GaBixAs1-x also confirm the change trend of phonon frequencies of the system.

The microstructures and mechanical properties of nanocrystalline Li2SiO3 have been investigated via molecular dynamics calculations. The results indicate that the mean atomic mass densities of nanostructured Li2SiO3 with different mean grain size are slightly lower than that of ordinary crystal Li2SiO3. Interestingly, a significant anti-Hall–Petch effect between yield stress and average grain size is observed in the tensile deformation simulation of the samples. In fact, the curve changes linearly until the strain reaches approximately 0.016–0.018. Next, when the strain is between 0.27 and 0.38, the stress of the sample has a small peak in the plastic flow region. Then, all the samples will begin to fracture at a strain of about 0.39–0.41. Moreover, due to the influence of grain boundary sliding and grain rotation, there are a few dislocations in the samples with the small average grain sizes, highlighting the strong influence of the mechanical properties on the overall tensile deformation of the samples.

Background Red-fleshed papaya is a good material to study the different carotenoids accumulation mechanism in the peel and flesh. Although the peel and flesh of papaya closely integrated into one body, the flesh coloration changing from white to red, while the exocarp coloration changing from green to yellow. In this study, the major carotenoids accumulation and the expression patterns of key carotenoid biosynthesis pathway genes in the process of papaya fruit ripening were studied, and the carotenoid biosynthetic pathways in the yellow peel and red flesh of papaya were investigated. Results The carotenoid composition in papaya flesh and peel were different. The major carotenoids were lutein and β-carotene in the peel, while lycopene in the flesh. The accumulation of carotenoids, including lycopene, β-carotene, and β-cryptoxanthin were considered to cause the orange-red color of papaya cv. ‘Daqing No.10’ flesh. The color of peel changed from green to yellow because of the fast degradation of chlorophyll and the appearance of carotenoids such as lutein and β-carotene. Thirteen genes that encode enzymes in the carotenoid biosynthetic pathway were detected in papaya fruit transcriptome: two phytoene synthase (PSY1, PSY2), two phytoene desaturase (PDS1, PDS2), one ζ-carotene desaturase (ZDS), four lycopene cyclase (CYCB, LCYB1, LCYB2, LCYE), one β-carotene hydroxylase (CHYB), one carotene ε-monooxygenase (LUT1), one violaxanthin de-epoxidase (VDE), and one zeaxanthin epoxidase (ZEP). The results of RNA-Seq and RT-qPCR showed the expression of carotenoid biosynthetic pathway genes was consistent with the change of carotenoid content. Carotenoid biosynthetic pathways in the yellow peel and red flesh of papaya were analysed based on the major carotenoids accumulation and the expression patterns of key carotenoid biosynthesis pathway genes. There was only a β-branch of carotenoid biosynthesis in the flesh of papaya, while there were both α- and β-branch of carotenoid biosynthesis in papaya peel. In the process of papaya fruit ripening, the α-branch was inhibited and the β-branch was enhanced in the peel. Conclusions The differential carotenoid accumulation and biosynthesis pathway genes expression in peel and flesh, lay a foundation for further study and provide further insights to control fruit color and improve fruit quality and appearance. Electronic supplementary material The online version of this article (10.1186/s12864-018-5388-0) contains supplementary material, which is available to authorized users.

An interatomic pair potential has been constructed for the simulation of α-Li4SiO4 (monoclinic phase) and γ-Li4SiO4 (triclinic phase). The potential parameters are fitted by the structure information and elastic constants. Applying this potential, the structures, mechanical properties and the vacancy formation energies are accurately calculated by the molecular static calculation methods. Additionally, a set of molecular dynamics simulations has been performed to investigate the surface energy, melting point and thermal properties such as enthalpy and specific heat capacity for two phases. We predict that the melting point of α-Li4SiO4 and γ-Li4SiO4 are 1500 K and 1300 K, respectively. The radial distribution functions are also analyzed. The present results are consistent with the experimental data and density functional theory calculation, which suggests that the potential we constructed in this work are valid and could give an accurate description to simulate the physical properties for α-Li4SiO4 and γ-Li4SiO4.

The microstructures and mechanical properties of nanocrystalline Li

Molecular dynamics simulations have been performed to investigate the structural and melting properties of single crystal and nanocrystal Li 2 SiO 3 . The simulated results of both lattice parameters and enthalpy as a function of temperature for single crystal are well consistent with the experimental values. The radial distribution functions and mean square displacement are utilized to analyze and characterize the structural evolution and melting behaviors in simulations. The models of nanocrystal Li 2 SiO 3 are constructed by the Voronoi tessellation techniques. We predict that the melting temperature of single crystal Li 2 SiO 3 is 1500 K, in close agreement with experiment. For nanocrystal Li 2 SiO 3 , the results indicate that the melting temperature decreases with the grain size decreasing, and drops to the range of 700–850 K.

Four unprecedented decanuclear heterometallic [Ln2CoII4CoIII4] clusters based on a diethanolamine ligand (H2dea), namely [Eu2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·4CH3OH·2H2O (1), [Gd2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·4CH3OH·2H2O (2), [Tb2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·2CH3OH·4H2O (3) and [Dy2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·2CH3OH·4H2O (4) were synthesized through a facile solution method. Single-crystal X-ray diffraction analyses reveal that complexes 1-4 consist of a [Ln2CoII4CoIII4] core, which is constructed by bridging a quasi-double cuboidal [Ln2CoII2CoIII2] core with two [CoIICoIII] units. Electrospray ionization mass spectrometry (ESI-MS) using methanol solution reveals that complexes 1-4 are stable in the solution, and the clusters undergo three different substitution reactions (Cl- replaced by OH-, OH- replaced by CH3O- and HCOO- replaced by OH-/CH3O-) at the same time in the ionization state. Magnetic susceptibilities reveal ferromagnetic couplings within complexes 3 and 4, and the magnetocaloric effect (MCE) for 2 was also evaluated and the maximum entropy change (-ΔSm) value reaches 16.3 J kg-1 K-1 at about 3 K and 5 T.

We have developed an effective interatomic pair potential for crystalline Li2SiO3. The potential parameters are fitted by the optimized lattice parameters and calculated elastic constants. Based on constructed potential, the physical properties including mechanical properties, phonon dispersion curves, thermodynamic properties such as enthalpy, heat capacity and entropy are obtained by molecular statics (MS) simulation. The simulated results using the constructed potential compare well with the density functional theory (DFT) calculations and the experimental data. It indicates that the pair potentials we constructed in this paper are effective to model the structural, mechanical and thermodynamic properties of crystalline Li2SiO3. Keywords: A. Li2SiO3, B. Molecular statics simulation, B. DFT, D. Pair potential, D. Thermodynamic

The physical properties including the structural, electronic, mechanical, lattice dynamical and thermodynamic properties of α-LiAlO2 are investigated using first-principles calculation. It is found that α-LiAlO2 is an insulator with an indirect gap of 6.319 eV according to band structure and density of states. The elastic constants are obtained and the results indicate that α-LiAlO2 is mechanically stable. The mechanical properties including bulk modulus (B), shear modulus (G), Young’s modulus (E), Poisson’s ratio (υ) are predicted with the value of 147.0 GPa, 105.2 GPa, 254.8 GPa and 0.211, respectively. The phonon dispersion curves and the phonon density of states are also calculated. The calculated phonon frequencies for the Raman-active and the infrared-active modes considering the LO-TO splitting are assigned. The two Raman active frequencies are 407.0 cm−1 of Eg mode and 628.8 cm−1 of A1g mode, and show satisfactory agreement with experiment. The thermodynamic functions such as ΔF, ΔE, CV and S is predicted by using the phonon density of states. These results provide valuable information for further insight into the properties of α-LiAlO2 in atomic scales, which is strategically important in ITER and in molten carbonate fuel cells (MCFC).

Four unprecedented decanuclear heterometallic [Ln2CoII4CoIII4] clusters based on a diethanolamine ligand (H2dea), namely [Eu2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·4CH3OH·2H2O (1), [Gd2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·4CH3OH·2H2O (2), [Tb2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·2CH3OH·4H2O (3) and [Dy2CoII4CoIII4(dea)8(HCOO)4(OH)2(Cl)2(CH3OH)2]Cl2·2CH3OH·4H2O (4) were synthesized through a facile solution method. Single-crystal X-ray diffraction analyses reveal that complexes 1-4 consist of a [Ln2CoII4CoIII4] core, which is constructed by bridging a quasi-double cuboidal [Ln2CoII2CoIII2] core with two [CoIICoIII] units. Electrospray ionization mass spectrometry (ESI-MS) using methanol solution reveals that complexes 1-4 are stable in the solution, and the clusters undergo three different substitution reactions (Cl- replaced by OH-, OH- replaced by CH3O- and HCOO- replaced by OH-/CH3O-) at the same time in the ionization state. Magnetic susceptibilities reveal ferromagnetic couplings within complexes 3 and 4, and the magnetocaloric effect (MCE) for 2 was also evaluated and the maximum entropy change (-ΔSm) value reaches 16.3 J kg-1 K-1 at about 3 K and 5 T.

The structural, electronic, dynamical and thermodynamic properties of γ-LiAlO2 are investigated using density-functional perturbation theory (DFPT). The calculated structural parameters are found to differ by less than 0.5% from the available experimental data. The electronic band structure and DOS indicate that γ-LiAlO2 is an insulator with a direct gap of 4.85 eV. Using the linear response theory, vibrational properties are calculated. The phonon dispersion curves, the Born effective charges, the optical-mode frequencies at Г point and LO-TO splitting are reported for the first time. The Raman and infrared-active phonon modes are further assigned and discussed briefly. Our results indicate that the Born effective charges are −1.74 for O atom and +2.49 for Al atom, which are lower than the formal charges of Al and O atom, and the two giant LO-TO splitting occur in A2 and E modes. Additionally, the thermodynamic functions such as ΔF, ΔE, CV and S are predicted using the phonon density of states. The results are in good agreement with experimental values and other available theoretical results. It is expected that these results will provide useful guidance to help with structural characterization of LiAlO2.

IEC61850 uses the abstract communication service interface (ACSI) and specific communication service mapping (SCSM) definition method. Most of data structure and communication service are mapping to Manufacturing Message Specification (MMS), but MMS has high abstraction, many 61850 ACSI services are mapping to one mms service [6]. At the same time there are many fuzzy definitions even mapping deviation phenomena, different vendors may have inconsistent understanding to the standard, this is harmful to the interoperability. This paper provide analysis and comparison to the 61850 ACSI services mapping to the MMS read, including GetDataValues, GetDataSetValues, GetBRCBValues and so on, and based on these, firstly gives implementation using the mms-ease lite of SISCO Company and detailed explanations of actual telegram. Our research is helpful to eliminate understanding difference and achieve interoperability. System test uses multiple popular software of different company to simulate as server, and the widely used network protocol analyzer software Omicron IEDScout is used to capture packets, the result verifies our implementation satisfy the functionality and interoperability.

The paper briefly investigates the importance of power control of HVDC (high voltage direct current) control system in the HVDC projects and focus on the actual analysis and research on the realization of automatic power control in HVDC transmission. It has the important guiding significance for the implementation of automatic power control in HVDC transmission.

Now dispatch centers needs to do a lot of work configuration and spend a lot of time to debug to communicate with substations. This is not only time-consuming but also error prone, so the alarm information needs to be directly sent. This paper presents the design and implementation of Alarm information directly transfers system, gives the system structure and software architecture of AIDT system used in UHVDC project; getting SOE based on distributed component Ice, realizing the protocol based on finite-state machine. And combined with the actual example, this paper provides a detailed explanation of the message. The program can be running on multiple operating systems including Debian Linux, KyLinux, HPUX and so on. Successful interoperability experiments proved that this system has good consistency, and running a long time in actual project proves the stability and reliability of the system. This system not only satisfies the need of UHVDC, but also has guiding significance on the research of AIDT system in UHVDC project.

The present situation of the UHVDC (ultra high voltage direct current) power transmission project is introduced, based on ±800kV UHVDC power transmission project put into commercial operation, the function design and application of GWS-1 remote equipment are carried out, the communication capability on IEC61850 is supported, the temperature problem of HP rx2660 is resolved, the GWS-1 remote equipment could meet the requirement of the UHVDC power transmission project is approved, and there is guiding significance on the research of RCI of UHVDC power transmission project.

A back propagation artificial neural network model with one hidden layer is established to correlate the liquid- liquid equilibrium data of hydrocarbon-water systems. The model has four inputs and two outputs. The network is systemati- cally trained with 48 data points in the range of 283.15 to 405.37K. Statistical analyses show that the optimised neural net- work model can yield excellent agreement with experimental data(the average absolute deviations equal to 0.037% and 0.0012% for the correlated mole fractions of hydrocarbon in two coexisting liquid phases respectively). The comparison in terms of average absolute deviation between the correlated mole fractions for each binary system and literature results indicates that the artificial neural network model gives far better results. This study also shows that artificial neural network model could be developed for the phase equilibria for a family of hydrocarbon-water binaries.

Bamboo industry wastewater (BIWW) degradation is difficult because of its high organic matter content and low biodegradability. In this study, the Fenton process was coupled to a sequencing batch reactor (SBR) for the treatment of BIWW. The Taguchi method was used to optimize the Fenton process for partial mineralization (TOC removal) and biodegradability (BOD5/COD ratio) enhancement. The optimum dosages at pH 4.0 were determined to be 52.9 mM H2O2 and 7.9 mM Fe(II). At the biological stage, the effect of anoxic–aerobic durations was evaluated. The best resulting operation mode was 4 h for the anoxic phase and 6 h for the aerobic phase. During this operation mode, a global chemical oxygen demand (COD) removal of more than 89% was achieved, along with nearly complete nitrification and decolorization. The effect of the hydraulic retention time (HRT) on SBR performance was also studied. Generally, effluents with HRTs of more than 1.5 d met China’s second grade national discharge standard. Major organic compounds were identified with Gas Chromatography–Mass Spectrometer (GC–MS). Most of the benzene and ester derivatives were completely eliminated following the Fenton–SBR process. However, amide and alkane derivatives were generated mainly as by-products from the different stages of the combined treatment.

A series of pyrido[2,3-d]pyrimidine derivatives were synthesized by the three-component reaction of aromatic aldehyde, malononitrile and 6-amino-4-hydroxy-2-mercaptopyrimidine catalyzed by sodium lauryl sulfate (SDS) in aqueous media. It was interesting that further aromatization took place automatically. This method provides several advantages such as easier work-up, milder reaction conditions and environmental friendly.

Three-dimensional nanocrystalline models of LiAlO2 with the log-normal grain size distribution are constructed with constrained Voronoi tessellation. First, the relaxation procedure of nanostructured LiAlO2 is carried out using molecular dynamics. The results suggest a reduction in the atomic densities after the relaxation process. Next, the tensile deformation and fracture behavior of nanostructured LiAlO2 are studied by using the optimized model. By researching the tensile deformation and fracture behavior of nanostructured LiAlO2 , we find some interesting results: on the one hand, the greater the average grain size of the sample is, the stronger its tensile strength. On the other hand, after the strain reaches approximately 3% of the deformation of the sample, the stress of the sample does not change with the increase of the strain, displaying a plastic flow of the plastic material.

The three-dimensional (3D) nanocrystalline models of lithium silicates with the log-normal grain size distribution are constructed by constrained Voronoi tessellation. During evolution process, the algorithm is improved. We proposed a new algorithm idea by combining Genetic Algorithm (GA) with Least Square (LS) method to make up for the disadvantages of traditional genetic algorithm which may be easily trapped in local optimal solution. In the process of modeling, it is the first time, to the best of our knowledge, that we keep the whole sample showing the charge neutrality by deleting the excess atoms on the polyhedron boundary during the modeling. By using the molecular-dynamics method, the relaxation procedure of nanostructured Li4SiO4 is carried out. The results show that the average mass density of the sample is slightly lower than the experimental data of the perfect crystal after relaxation process. In addition, boundary component proportion (BCP) and density reduction proportion (DRP) of the sample is obtained, respectively. The present results display a significantly reduced BCP but an increased DRP when increasing the mean grain size of the sample.

Chiral P,N-ligands derived from quinoline and with a trans and cis cyclohexane backbone were easily synthesised in four steps from quinoline N-oxide. The enantiopure trans isomer was obtained by the way of chiral resolution of the mixture of trans- and cis-2-(quinolin-2-yl)cyclohexanol with dibenzoyltartaric acid and then subjected to a Mitsunobu reaction and deprotection to give the corresponding cis isomer. The optical pure trans and cis isomer reacted with chlorodiphenylphosphine or PAr2NEt2 to obtain trans and cis P,N-ligands, which were used in asymmetric allylic alkylations with up to 78% ee and 84% ee respectively.

A convenient and efficient process for the synthesis of racemic trans-cyclohexanediamine (V) and its kinetic resolution using tartaric acid is described.

To observe the effectiveness of stiletto needle stimulation combined with massage in the treatment of dysfunction and pain of knee joints in knee osteoarthrosis (KOA) patients.One hundred KOA outpatients and inpatients were randomly and equally divided into treatment and control groups. Patients of the treatment group were treated by using stiletto needle stimulation of 5-10 tender-points (at the medial collateral ligament, internal condyle of femur, medial condyle of femur, etc.) in combination with massage on the bilateral sides of the patella ligament, digital pressing of Liangqiu (ST 34), Xuehai (SP 10), Neixiyan (EX-LE 4), Weizhong (BL 40), etc. Patients of the control group were treated by using massage therapy alone (the same to those mentioned above). Elasticity of the soft tissue[displacement value under 500 g pressure exerted on the tender-point surface; the banana area, i. e. , the absorbed energy of the soft tissue] was measured by using Soft-tissue Tension Detector. Dysfunction scores of the knee-joint (cure:91 -99 points; marked improvement: 75-90 points; improvement: 60- 74 points; invalid: no improvement) were assessed according to Jiang's method, and the therapeutic effect was evaluated in the light of "Criteria for Diagnosis and Therapeutic Effect Assessment of Illnesses or Clinical Conditions of Chinese Medicine" issued in 1994 in China.Comparison between pre- and post-treatment in the same one group showed that the displacement values and scores of pain, joint-movement and malformation, and total scores were increased significantly and the banana area reduced considerably in these two groups after the treatment (P0. 05), and the effects of the treatment group were apparently superior to those of the control group (P0. 05). Of the two 50 cases in the control and treatment groups, 10 (20%) and 33 (66%) had marked improvement, 33 (66%) and 14 (28%) were improved, and 7 (14%) and 3 (6%) invalid, with the effective rates being 86% and 94% , respectively. The markedly effective rate of the treatment group was apparently higher than that of the control group (P0. 05). No significant differences were found between the two groups in the scores of initiative extension range, walking abi-lity and daily life activities (P0.05).Stiletto needle intervention in combination with massage can effectively relieve dysfunction and pain of the knee joint in KOA patients.

To observe the therapeutic effects of Pizhen in treating lumbar disc herniation combined with buttock tender node.From August 2009 to February 2010,83 patients (29 males and 54 females) with lumbar disc herniation combined with buttock tender node were randomly divided into the Pizhen group and acupuncture group. Pizhen group were treated with Pizhen manipulation, inserting needle by vertical prick with quacking inserting and quick withdrawing the needle, no rotating and the depth was through the surface of fascia, two times as a course of treatment; acupuncture group were treated with acupuncture, inserting Ashi-point, retaining the needle 20 min, ten times as a course of treatment. VAS scoring at the end of treatment and B ultrasonic image at 3d after treatment was carried out to observe the therapeutic effects.B ultrasonic image of buttock tender node showed inflammation reaction or ellipse. The width of the inflammation reaction decreased after treatment, but there has no statistical significance (P=0.635). There was no significant difference between two groups (P=0.813).Pizhen manipulation is better than acupuncture. B ultrasonic image gives morphological performance of buttock tender node, the content is inflammatory infiltrates. B ultrasound has certainly significance in diagnosing, treating and evaluating the clinical effect of Pizhen manipulation on treating buttock tender node.

Chiral P,N-ligands with a trans- and cis-cyclohexane backbone are easily synthesized in four steps from quinoline N-oxide and successfully used in an asymmetric allylic alkylation (up to 84% e.e.).

To explore the therapeutic effect of Chinese medicinal massage with nourishing-Shen and activating-blood manipulation in treating women with climacteric syndrome and its influence on endocrinal function.Sixty patients were assigned to two groups, the 40 patients in the treated group were treated by Chinese medicinal massage for 20 min once every other day; the 20 patients in the control group were treated by hormone replacement therapy with Premarin 0.625 g, once daily by oral taking. The therapeutic efficacy was evaluated after two-month treatment by changes of serum levels of estradiol (E2), follicular stimulating hormone (FSH), luteinizing hormone (LH), and Kupperman index before and after treatment.Kupperman index showed that the total symptom score in the treated group was improved from 30.71 +/- 8.43 scores before treatment to 8.21 +/- 5.14 scores after treatment, with a decrement of 22.50 +/- 8.14 scores, which was higher than that in the control group, from 24.32 +/- 5.44 scores to 5.92 +/- 3.58 scores, with a decrement of 18.40 +/- 4.50 scores, the difference between them was statistically significant (t = 2.52, P = 0.014). The serum level of E2 increased in both groups significantly after treatment, from 20.23 +/- 20.78 ng/L to 54.34 +/- 24.26 ng/L in the treated group (t= -2.73, P = 0.006), and from 16.15 +/- 24.40 ng/L to 40.61 +/- 81.54 ng/L in the control group (t = -1.72, P = 0.086), but the difference between groups was statistical insignificant (t= -1.120, P = 0.263). As for levels of FSH and LH, their decrements in the control group (13.16 +/- 11.29 mlU/mL and 10.37 +/- 9.21 mlU/mL) were larger than those in the treated group (4.92 +/- 4.26 mlU/mL and 0.17 +/- 2.42 mlU/mL), respectively (t = - 2.49, P = 0.013; t = - 2.38, P = 0.017).Chinese medicinal massage manipulation could improve the Kupperman index of all the 13 symptoms in women with climacteric syndrome, and increase the E2 level in serum.

We have studied the structural, electronic and dynamic properties of γ- Li4SiO4(lithium orthosilicate) using density functional theory (DFT) with the generalized gradient approximation (GGA). The crystal structure is fully relaxed. The electronic band structure and Density of States (DOS) calculations indicate that γ- Li4SiO4is an insulator with an indirect band gap of 5.19 eV and it has a conduction band with the width of 5.92 eV and two valance bands with the width of 4.45 eV and 0.57 eV, respectively. In the partial DOS, Li and Si electronic densities increase more sharply than O atoms. Comparing with previous works, the phonon dispersion curves without negative frequencies are calculated along high symmetry points. By adding the Born effective charges in the phonon calculation, the LO–TO splittings are also calculated which indicate that γ- Li4SiO4is polar and anisotropic. The optical modes of phonon frequencies at Γ point are assigned as Raman and Infrared-active modes. Additionally, the thermodynamic functions (entropy, internal energy, Helmholtz free energies and constant-volume specific heats) were determined by using the phonon DOS. The calculated results may provide useful guidance of γ- Li4SiO4for future experimental studies in some degree.

We report a prevalence rate of 23.6% human papillomavirus (HPV) infection with oncogenic subtypes and 2.4% cervical intraepithelial neoplasia (CIN) III and cervical cancer (CC) in rural middle-aged women in 2 counties with the highest CC mortality in Shanxi Province, China. We examined the association of risk factors to HPV infection and to CIN III and CC in 8,798 unscreened women aged 35-50 years. Multivariate odds ratios (OR) and 95% confidence intervals (CI) for each endpoint were obtained for risk factors after adjustment for covariates. The OR of oncogenic HPV were: 1.41 (95% CI = 1.25-1.60) and 1.42 (95% CI = 1.24-1.61) for the participant and her husband having multiple sexual partners, respectively; 1.67 (95% CI = 1.37-2.04), 1.15 (95% CI = 1.04-1.26), and 0.82 (95% CI = 0.72-0.94) for ever (vs. never) diagnosed with tuberculosis, cervical inflammation and vaginal trichomoniasis, respectively; while bathing in a public (v. private) facility had an OR of 1.23 (95% CI =1.11-1.35). Seasonal fluctuations in HPV infection, but not CC, appeared in Xiangyuan County, with OR of 1.23 (95% CI = 1.14-1.33) and 1.51 (95% CI = 1.35-1.67) in Spring and Winter compared to Summer, respectively. The OR of CIN III and CC in the HPV positives were: 2.03 (95% CI = 1.63-2.53) for agesor =45 years (vs.40); and 4.01 (95% CI = 1.46-11.0) foror =3 (vs. no) home births. Public health interventions and control strategies for improving the reproductive health of women in these rural populations need to be developed to reduce risk of HPV and subsequent CC.

A new pathway is described to produce a highly optically pure isomer of trans-N1,N2-dimethylcyclohexane-1,2-diamine through four simple steps. Reaction of cyclohexene oxide with aqueous methylamine, followed by cyclisation with Mitsunobu reagent and ring-opening reactions gave rac-trans- N1,N2-dimethylcyclohexane-1,2-diamine, and the enantiomers were obtained via a kinetic resolution using tartaric acid.

To investigate the prevalence of oncogenic type of human papillomavirus (HPV) infection and identify the high risk population for conducting immuno/chemoprevention of cervical cancer.All married women aged 30 to 50 with no history of hysterectomy, pelvic radiation and non-pregnant from certain villages of Xiangyuan and Yangcheng County were invited. This study was conducted through two phases. In phase one, subjects sampled the vaginal secretions using the collectors after signing the informed consent. And physicians sampled exfoliated cells from cervix in the phase two. All the specimens were tested with the Hybrid Capture 2 test. The data was managed and analyzed by VFP and SPSS software.There were 9,683 women participated in this study. Local women welcomed this study and population compliance rate was 75.4%. In tested population, we found 2,666 subjects of HPV DNA positive and HPV prevalence was 27.5%. The rates of different age group were 24.5% (30-34 yrs), 27.4% (35-39 yrs), 28.2% (40-44 yrs), 27.4% (45-50 yrs) respectively and had no significant differences (P = 0.604). The rates were slightly increased with the higher education level and had no differences (P = 0.106). The rate in mountain areas was higher than that in half-mountain areas (P = 0.001).The prevalence of HPV infection is indeed high in this region. Local women and health professionals welcome the activities of cervical cancer screening and prevention. It is an emergent task to improve their sanitary condition and prevent them from cervical cancer in these women. A women health cohort is established successfully among high HPV exposed women in rural China. The extensive biologic specimen repository has been successfully established to simultaneously study the etiology, early detection, and immuno/chemoprevention of cervical cancer.