Density-matrix renormalization-group study of low-lying excitations of polyacene within a Pariser-Parr-Pople model

We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.

Evolution of high-pressure mafic granulites and pelitic gneisses from NE Madagascar: Tectonic implications

The occurrence of high-pressure mafic-ultramafic bodies within major shear zones is one of the indicators of paleo-subduction. In mafic granulites of the Andriamena complex (north-eastern Madagascar) we document unusual textures including garnet-clinopyroxene-quartz coronas that formed after the breakdown of orthopyroxene-plagioclase-ilmenite. Textural evidence and isochemical phase diagram calculations in the Na2O-CaO-K2O-FeO-MgO-Al2O3-SiO2-H2O-TiO2 system indicate a pressure-temperature (P-T) evolution from an isothermal (780 degrees C) pressure up to c. 24 kbar to decompression and cooling. Such a P-T trajectory is typically attained in a subduction zone setting where a gabbroic/ultramafic complex is subducted and later exhumed to the present crustal level during oceanic closure and final continental collision. The present results suggest that the presence of such deeply subducted rocks of the Andriamena complex is related to formation of the Betsimisaraka suture. LA-ICPMS U-Pb zircon dating of pelitic gneisses from the Betsimisaraka suture yields low Th/U ratios and protolith ages ranging from 2535 to 2625 Ma. A granitic gneiss from the Alaotra complex yields a zircon crystallization age of ca. 818 Ma and Th/U ratios vary from 1.08 to 2.09. K-Ar dating of muscovite and biotite from biotite-kyanite-sillimanite gneiss and garnet-biotite gneiss yields age of 486 +/- 9 Ma and 459 +/- 9 Ma respectively. We have estimated regional crustal thicknesses in NE Madagascar using a flexural inversion technique, which indicates the presence of an anomalously thick crust (c. 43 km) beneath the Antananarivo block. This result is consistent with the present concept that subduction beneath the Antananarivo block resulted in a more competent and thicker crust. The textural data, thermodynamic model, and geophysical evidence together provide a new insight to the subduction history, crustal thickening and evolution of the high-pressure Andriamena complex and its link to the terminal formation of the Betsimisaraka suture in north-eastern Madagascar. (C) 2015 Elsevier B.V. All rights reserved.

Efecto de dos niveles de urea en bloques de melaza sobre la ganancia de peso en borregos criollos

En el presente estudio se compararon dos niveles de urea (5 y 10%) adicionada a los bloques de melaza, sobre la ganancia de peso en borregos criollos. Un total de 12 borregos fueron asignados aleatoriamente en tres grupos, utilizando un arreglo en Diseño Completamente al Azar. Las raciones experimentales se basaron en una dieta básica de forraje de pasto colonial (Panicum maximun), para los tres grupos, suplementando ad-libitum a los grupos 2 y 3 con bloques de melaza con un 5 y 10% de urea respectivamente. Se encontraron diferencias estadísticas entre tratamientos (P<0.01) para la variable ganancia media diaria de peso. Para los grupos 2 y 3 se observaron consumos de 470 y 375 gramos de bloques de melaza con ganancia diaria de peso de 65 y 32 gramos respectivamente, el grupo 1 observó pérdidas de peso (30 gr/animal/día). El grupo 2 obtuvo ganancias económicas de $ 2.09 dólares por animal durante los 77 días que duró el ensayo en el Centro Experimental "Santa Rosa” (PNP). Se concluye que los niveles de urea (5 y 10%) adicionada a los bloques de melaza constituyen una alternativa alimenticia para rumiantes, que puede ser usada en nuestro país.

芍药属两物种染色体结构变异杂合性研究

芍药属由大约35个灌木和多年生草本种组成，分为三个组：牡丹组(Sect. Moutan)、北美芍药组(Sect. Onaepia)和芍药组(Sect. Paeonia)。四川牡丹(Paeonia decomposita Handel-Mazzetti)和块根芍药(P. intermedia Meyer)分别隶属于牡丹组和芍药组。在该属的所有种中，染色体基数均为 x = 5，最短的五号染色体是端部着丝粒染色体，很容易辨认。 本论文研究了块根芍药三个居群22个个体和四川牡丹两个居群13个个体的减数分裂。减数分裂异常广泛发生，以至于发现所有被研究的个体都有数量不等的桥、断片和单价体。结果表明在中期I，块根芍药第一个居群平均每个小孢子母细胞有2.17个棒状二价体和2.7个环形二价体，第二个居群平均每个细胞有2.04个棒状二价体和2.86个环形二价体，第三个居群平均每个细胞有2.21个棒状二价体和2.71个环形二价体。而在四川牡丹中，第一个居群平均每个小孢子母细胞有2.09个棒状二价体和2.81个环形二价体，第二个居群平均每个细胞有1.85个棒状二价体和3.08个环形二价体。 块根芍药第一个居群的平均减数分裂染色体构型是2n = 10 = 0.25 I + 4.87 II，第二个居群是2n = 10 = 0.20 I + 4.90 II，第三个居群是2n = 10 = 0.17 I + 4.92 II，在该种的平均构型是2n = 10 = 0.21 I + 4.89 II。四川牡丹第一个居群的平均减数分裂染色体构型是2n = 10 = 0.21 I + 4.90 II，第二个居群是2n = 10 = 0.14 I + 4.93 II，在该种的平均构型是2n = 10 = 0.20 I + 4.90 II。在块根芍药中，不同个体的配对系数变化范围在69.5%和81.07%之间，在四川牡丹中在72.97%和81.37%之间。 在后期I和末期I，出现了染色体桥、断片、落后染色体、不等分离等异常现象。最明显的减数分裂异常是后期I桥/断片。尽管在不同的居群中桥/断片异常出现的频率有所变化(块根芍药居群一是26.03%，居群二是11.67%，居群三是13.39%;四川牡丹居群一是7.59%，居群二是9%)，但是这种异常出现在所有个体中(块根芍药平均为18.67%，四川牡丹平均为7.69%)。结果表明，所有的个体都是染色体臂内倒位结构杂合体，广泛存在于野生自然居群中，可能存在某些选择优势。而且，桥的出现频率和断片的大小在个体之间是变化的，这因此表明在这两个种中存在不同的倒位。然而，这两个种在野生居群中是如何维持染色体结构杂合的，其维持机制还有待于进一步阐明，还需要更进一步的证据。 该研究还揭示了块根芍药和四川牡丹这两个种具有共同的第五号染色体减数分裂异常：与长臂相比，短臂在遗传距离和物理距离之间存在巨大的背离。短臂的遗传距离，通过交叉频率计算出来，约是长臂的三十分之一（块根芍药）。然而，物理距离用臂的比率表示，大约是长臂的三分之一，物理距离是遗传距离的十倍。 在四川牡丹红心桥居群和其它居群之间，臂比存在微小的差异，而且在芍药属不同的种内也发现了存在差异。在四川牡丹中，环形二价体(两个臂形成交叉)和棒状二价体(仅一个臂形成交叉)的比率是1.94 : 98.06，而在块根芍药中是3.42 : 96.58。在这两个种中，棒状二价体大大多于环形二价体。在第五号染色体的短臂上可能存在某些“搭车效应”，这表明第五号染色体的短臂上存在高度永久杂合，导致短臂高度保守、极为稳定。这与芍药属古老的分布格局、进化历史长可能存在某些联系。四川牡丹第五号染色体的后期I倒位桥出现频率非常低，仅为0.51 - 3.47%，平均为1.43%。而且断片长度是变化的，其变化范围在1.7 - 10.8 µm之间。

降水对我国温带草原土壤呼吸及其组分的脉冲效应

利用动态气室法(Li-Cor 8100)，于2005-2007年生长季对我国北方温带典型草原生态系统的土壤呼吸作用及其影响因子进行了野外动态观测。研究结果表明，温带典型草原生态系统的土壤呼吸及其影响因子存在明显的季节变化和年际变化。土壤呼吸的季节变化主要受土壤温度和土壤水分控制，峰值出现在温度高、水分适中的6、7和8月。在生长季初期和末期，土壤温度和土壤水分较低，土壤呼吸接近于零。土壤呼吸年际变化受到降水分配的影响，植物生长旺季降水充足土壤呼吸较高，2007年的夏季干旱抑制了土壤呼吸。 土壤呼吸与土壤温度呈指数相关，与土壤水分呈二项式关系。与未去除植物的样方相比，去除植物后土壤温度降低，其中2005年达到显著水平(P < 0.01);土壤水分在三年中都显著提高(P < 0.001)。利用土壤呼吸与温度、水分建立的模拟方程表明，异养呼吸约占土壤呼吸的49.19%，根际呼吸占50.81%，两者对土壤呼吸的贡献大致相当，但呈现明显的季节变化，根际呼吸在植物生长旺季的贡献大于异养呼吸。同时，根际呼吸的比例受到降水分布的影响，在干旱时期，根际呼吸的比例远大于异养呼吸，说明在这个干旱半干旱的生态系统中植物更能忍受水分胁迫。 根据土壤呼吸与温度、水分三者的模拟方程分析表明，2005-2007三年的土壤呼吸和异养呼吸均值分别为1.65和1.07 µmol m-2 s-1，分别比实测值1.79和1.30 µmol m-2 s-1减少了8.6和18.04%;如果测定频次改为每周一次，土壤呼吸和异养呼吸则分别减少了10.51和13.76%。由此说明，降水对土壤呼吸产生的脉冲效应在一个完整的生长季中也存在，异养呼吸下降的比例更高，说明异养呼吸对降水脉冲效应的响应较大。因此，研究土壤呼吸时不能忽略降水的脉冲效应，同时应当考虑不同组分对脉冲效应的差异。 综合三年的研究数据表明，在不同水分条件下土壤呼吸的温度敏感性(Q10) 不一致。在四个土壤水分(<5%，5-10%，10-15%和>15%)范围内，土壤呼吸的Q10值分别为1.58，1.80，2.10和2.06;在土壤水分为5-10%，10-15%和>15%的范围内，异养呼吸的Q10值分别为1.58，1.70和1.66。由此表明，土壤呼吸的温度敏感性在10-15%水分范围内最高。在不同水分条件下，异养呼吸的Q10值都低于包含了根际呼吸的土壤呼吸的Q10值，表明根际呼吸的Q10值高于异养呼吸，根际呼吸对土壤温度的变化更为敏感。从年际变化来看，2005年异养呼吸和土壤呼吸的Q10值并没有显著差异(均为2.05);异养呼吸的Q10值在2006和2007年显著低于土壤呼吸的Q10值(分别为2006年：2.09和1.81;2007年：1.44和1.36);受到夏季干旱的影响，2007年的土壤呼吸和异养呼吸的Q10值与2005和2006年相比显著降低。

Fecundity of the Indian horseshoe crab, Tachypleus gigas (Muller) from Balramgari (Orissa)

In Tachypleus gigas (Muller) the fecundity varied from 1242 to 6565 with a mean of 3758±1962. Maximum fecundity was recorded in T. gigas ranging in carapace length between 161 and 170 mm. The ova diameter was between the range of 1.54 and 2.09 mm with a mean modal value of 1.81 mm. The mean number of ova per mm carapace length, per g body mass and per g ovary mass were 22±12.8, 7±2.0 and 27±3.3 respectively. Linear relationships were obtained between fecundity, carapace length, body mass and ovary mass of T. gigas.

Assessment of the heavy metals among suspended particulates and dissolved phases in Suez Canal water

The concentrations and distribution of particulate and dissolved heavy metals, viz: Cu, Zn, Pb, Cd, Fe and Mn have been determined seasonally during 2003 in water samples collected from the Suez Canal. The presented data clarifies that the metals exhibited clear differences in their distribution between particulate and dissolved forms. The concentration of particulate heavy metals ranged between 0.09-3.13, 0.57-15.02, 0.18-3.87, 0.02-0.73, 2.74-49.62 and 0.15-5.08 µg/L for Cu, Zn, Pb, Cd, Fe and Mn, respectively. In the same respect, these values for dissolved forms were 0.28-4.12, 0.57-9.08, 0.27-2.50, 0.02-1.24, 1.94-42.50 and 0.11-3.65 µg/L. The concentrations of particulate metals viz: Zn, Pb, Cd, Fe and Mn were high was compared to the dissolved forms. Dissolved copper, rather than particulate, showed the highest percentage of total copper. The particulate forms of Pb, Cd, Fe and Mn always had higher concentrations than the dissolved forms during the course of study except in the summer season. The northern part of the Suez Canal at Port Said showed mean concentrations of particulate and dissolved Cu=1.43 and 2.10, Zn=8.61 and 3.17, Pb=1.72 and 1.23, Cd=0.35 and 0.35, Fe= 23.49 and 15.83 and Mn=2.09 and 1.82 µg/L. These high concentrations may be attributed to the greater activities, particularly loading and unloading operations at Port Said harbour s industrial effluents and domestic drainage of Port Said city. In contrast, the Sinai side could be considered as reference site, as it was almost clean, i.e., without harmful outfalls, where Cu=0.16 and 0.56, Zn=2.14 and 0.94, Pb=6.29 and 3.44, Cd=0.055 and 0.088, Fe=6.29 and 3.44 and Mn=0.56 and 0.26 µg/L for particulate and dissolved metals respectively.

全放牧婆罗门牛和BMY牛的超数排卵效果及激素水平比较

为了比较婆罗门牛和BMY牛的雌二醇(E2)、孕酮(P4)水平及胚胎生产潜力,并探讨MOET技术在BMY牛扩繁中的应用前景,采用进口激素(日本产FSH 24~36 mg+美国产PG 35 mg)和国产激素(国产FSH 10~12 mg+国产PG 0.8 mg)对全放牧婆罗门牛和BMY牛进行超排,并于超排前(同期发情第7天)、超排开始、超排第3天、超排发情当天和胚胎回收当天采集血液,采用RIA法分析血浆中的E2和P4水平。结果表明,BMY牛的黄体数和获胚(卵)数、可用胚数分别较婆罗门牛高2.09个和0.95、0.36枚,但差异不显著(P>0.05);BMY牛的排卵率较婆罗门牛高18.46%(P<0.01),而可用胚率则较婆罗门牛低2.55%(P<0.01)。BMY牛在5个处理时段的E2和P4平均值分别较婆罗门牛高0.58 pg/mL(P<0.01)和1.44 ng/mL(P>0.05),在各处理时段的P4水平变化规律几乎与婆罗门牛一致,E2/P4值为婆罗门牛的5.16倍。结果提示,BMY母牛的E2和P4水平高于婆罗门牛,在激素水平和繁殖性能方面表现出一定的杂种优势;E2水平低是婆罗门牛发情微弱和排卵率低的主要原因...

Sorption, degradation and mobility of microcystins in Chinese agriculture soils: Risk assessment for groundwater protection

In the present paper, sorption, persistence, and leaching behavior of three microcystin variants in Chinese agriculture soils were examined. Based on this study, the values of capacity factor and slope for three MCs variants in three soils ranged from 0.69 to 6.00, and 1.01 to 1.54, respectively. The adsorption of MCs in the soils decreased in the following order: RR > Dha(7) LR > LR. Furthermore, for each MC variant in the three soils, the adsorption rate in the soils decreased in the following order: soil A > soil C > soil B. The calculated half-time ranged between 7.9 and 17.8 days for MC-RR, 6.0-17.1 days for MC-LR, and 7.1-10.2 days for MC-Dha(7) LR. Results from leaching experiments demonstrated that recoveries of toxins in leachates ranged from 0-16.7% for RR, 73.2-88.9% for LR, and 8.9-73.1% for Dha 7 LR. The GUS value ranged from 1.48 to 2.06 for RR, 1.82-2.88 for LR, and 1.76-2.09 for Dha(7) LR. Results demonstrated the use of cyanobacterial collections as plant fertilizer is likely to be unsafe in soils. (c) 2006 Elsevier Ltd. All rights reserved.

A small signal equivalent circuit model for resonant tunnelling diode

We report a resonant tunneling diode (RTD) small signal equivalent circuit model consisting of quantum capacitance and quantum inductance. The model is verified through the actual InAs/In0.53Ga0.47As/AlAs RTD fabricated on an InP substrate. Model parameters are extracted by fitting the equivalent circuit model with ac measurement data in three different regions of RTD current-voltage (I-V) characteristics. The electron lifetime, representing the average time that the carriers remain in the quasibound states during the tunneling process, is also calculated to be 2.09 ps.

印刷线路板废弃物的热解与动力学实验研究

分别应用管式炉反应器和热重分析手段对印刷线路板废弃物的热解行为和热解动力学进行了实验研究。在管式炉中，研究不同的热解温度：700～950℃，对产物分布和气体成分分布的影响。实验结果表明：PCB热解气体的主要成分是H2和CO2，气体的热值较低，仅为2.09～5.41MJ/m^3，PCB不适合以气体产物为目标的能源利用方式。应用Friedman方法对PCB的热解动力学进行了研究，求得PCB的热解动力学参数分别是：表观活化能190.92kJ/mol，反应级数5.97，指前因子lnA47.14min^-1。

辽东次生林土壤呼吸及主要组分分离与量化

土壤呼吸是森林生态系统碳循环的重要组成部分，对土壤呼吸的主要组分根系呼吸和土壤微生物呼吸进行分离并量化，对于了解土壤碳释放规律、估算生态系统土壤碳的年际通量以及预测气候变化条件下根系或土壤微生物对土壤碳释放格局的影响具有重要意义。本文采用挖壕法测定辽东山区蒙古栎林、杂木林和胡桃楸林的土壤表面CO2通量，并同步分析土壤水热因子及土壤有机质、N含量、根系生物量、土壤酶活性、土壤微生物生物量等。研究结果表明：（1）辽东山区次生林0-10cm土壤有机质含量为9.29-18.15%，全氮含量为0.43-0.90%，pH值为5.67-6.19；次生林生长季细根生物量平均为152.61- 447.79 g/m2，粗根生物量平均为255.42-507.42 g/m2，根系总量平均为540.93-955.22 g/m2；土壤酶活性季节变化明显，且具垂直分布特征，蒙古栎林的土壤转化酶、淀粉酶和脱氢酶活性最高，胡桃楸林最低，胡桃楸林过氧化氢酶活性相对最大；土壤微生物量碳、氮的季节变化呈明显的单峰曲线并与土壤温度相关，土壤微生物量碳氮之间具显著相关性（P<0.05）。（2）次生林土壤总呼吸、根呼吸和土壤微生物呼吸具明显的日、季变化规律，生长季根呼吸贡献相对较低，胡桃楸林根呼吸贡献率为34.0-34.8%，蒙古栎林为17.9-28.4%，杂木林为14.7-35.3%；土壤微生物呼吸贡献率为66.0-85.3%，高于根呼吸贡献率，说明辽东山区次生林土壤微生物呼吸决定土壤总呼吸的变化趋势。（3）土壤呼吸与地下5cm土壤温度呈指数函数关系，土壤总呼吸的Q10值为1.29-2.30，微生物呼吸的Q10值为1.28-2.09，根呼吸的Q10值为1.29-3.72；土壤总呼吸、微生物呼吸、根呼吸与土壤含水量均无明显相关关系；蒙古栎林根呼吸与细根生物量显著相关，杂木林根呼吸与粗根生物量及根系总生物量显著相关，胡桃楸林根呼吸与根系生物量总量显著相关（P<0.05）；微生物呼吸与淀粉酶、转化酶、脱氢酶、过氧化氢酶均无显著相关性（除胡桃楸林与过氧化氢酶显著相关）；微生物呼吸与土壤微生物量碳、氮均呈显著线性相关关系（P<0.05）。（4）蒙古栎林土壤总呼吸、根呼吸、土壤微生物呼吸年际碳释放量分别为572.78、147.78和425.59 g C m-2a-1，杂木林分别为403.12、108.92、297.51 g C m-2a-1，胡桃楸林分别为519.47、173.75、345.72 g C m-2a-1；生长季和非生长季通过根呼吸释放的碳量均小于分解土壤有机质的微生物呼吸释放的碳量，非生长季次生林土壤碳释放量为39.21-152.04 g C m-2a-1，占全年呼吸总量的10-29%，说明冬季土壤碳释放量不能忽略。

侵蚀泥沙、有机质和全氮富集规律研究

在自然降雨下 ,研究降雨、坡度、耕作和施肥对侵蚀泥沙、有机质和全N富集率的影响 ,分析土壤和泥沙颗粒组成、富集与泥沙有机质和全N富集的关系 ,揭示土壤有机质和全N在泥沙中的富集规律 .结果表明 ,泥沙粘粒的富集导致有机质和全N的富集 ,泥沙粘粒、有机质和全N富集率分别平均为 1.77、2 .0 9和 1.61.土壤侵蚀模数与泥沙有机质和全N富集率呈显著的负相关关系 ,降雨、坡度、施肥和耕作措施对泥沙有机质富集作用的影响是通过减少土壤侵蚀模数来实现的 ,减少土壤侵蚀的措施可增加泥沙有机质和全N的富集 .

土壤中硝化抑制剂DMPP含量的气相色谱测定法

建立了一种检测土壤中吡唑类硝化抑制剂DMPP含量的气相色谱法。DMPP在NaOH溶液中可定量转化为DMP,从5种有机溶剂中选择氯仿作为DMP的萃取剂。本文采用吡啶做为内标物,内标校正因子fDMP和fDMPP分别为1.6775和3.3884。通过DB-1701气相色谱柱,氢火焰离子化检测器(FID)定量检测氯仿溶液萃取相中的DMP。本法添加回收率为97.4%～98.8%;RSD为0.70%～2.09%;土壤中DMPP的检出限为0.4mgkg-1。应用本法测定在潮棕壤中10℃、20℃和30℃时DMPP的降解半衰期分别为大于28d、14d和7d。

Element enrichment and U-series isotopic characteristics of the hydrothermal sulfides at Jade site in the Okinawa Trough

The geochemical and U-series isotopic characteristics of hydrothermal sulfide samples from the Jade site (127A degrees 04.5'E, 27A degrees 15'N, water depth 1300-1450 m) at Jade site in the Okinawa Trough were analyzed. In the hydrothermal sulfide samples bearing sulfate (samples HOK1 and HOK2), the LREEs are relatively enriched. All the hydrothermal sulfide samples except HOK1 belong to Zn-rich hydrothermal sulfide. In comparison with Zn-rich hydrothermal sulfides from other fields, the contents of Zn, Pb, Ag, Cd, Au and Hg are higher, the contents of Fe, Al, Cr, Co, Ni, Sr, Te, Cs, Ti and U lower, and the Pb-210 radioactivity ratios and Pb-210/Pb ratios very low. In the hydrothermal sulfide mainly composed of sphalerite, the correlations between rare elements Hf and U, and Hf and Mn as well as that between dispersive elements Ga and Zn, are strongly positive; also the contents of Au and Ag are related to Fe-sulfide, because the low temperature promotes enrichment of Au and Ag. Meanwhile, the positive correlations between Fe and Bi and between Zn and Cd are not affected by the change of mineral assemblage. Based on the Pb-210/Pb ratios of hydrothermal sulfide samples (3.99x10(-5)-5.42x10(-5)), their U isotopic composition (U-238 content 1.15-2.53 ppm, U-238 activity 1.07-1.87 dpm/g, U-234 activity 1.15-2.09 dpm/g and U-234/U-238 ratio 1.07-1.14) and their Th-232 and Th-230 contents are at base level, and the chronological age of hydrothermal sulfide at Jade site in the Okinawa Trough is between 200 and 2000 yr.