Prueba avanzada de rendimiento, evaluación de diez lineas promisorias de arroz (Oryza sativa L.) en comparación con tres variedades comerciales bajo condiciones de riego. Malacatoya, Granada

Este experimento fue establecido en la finca las Lajas ubicada en el municipio de Malacatoya, departamento de Granada. La zona del ensayo se encuentra localizada a los 12° 04' 40" de latitud Norte y 86° 01'55" Oeste, a una altura de 30 msnm. El trabajo de campo estuvo comprendido entre el 4 de agosto hasta el 3 de diciembre de 1998. En el ensayo se evaluó: Características fenotípicas y genotípicas de las líneas y variedades de arroz (Oryza sativa L.) y adaptabilidad de trece líneas promisorias de arroz procedentes del CIAT, con tres variedades comerciales procedentes de Colombia, Nicaragua y Taiwán. Estas variedades son Oryzica Llanos-4, INTA N-1 Taichung sen-10 respectivamente. Se utilizó el diseño experimental de Bloques Completos al Azar (B.C.A) con trece tratamientos y seis repeticiones. Se evaluaron quince variables estas son las siguientes: Vigor, altura de planta, habilidad de macollamiento, floración, senescencia, acame, exerción de la panícula, desgrane, aceptabilidad fenotípica, longitud de la panícula, número de granos por panícula, fertilidad de las espiguillas, peso de 1 000 granos, rendimiento en grano y calidad industrial. De acuerdo a los resultados obtenidos en las evaluaciones de los componentes de rendimiento, características agronómicas y calidad industrial se procedió a seleccionar 3 líneas con buen potencial de rendimiento y buenas características agronómicas. Estas líneas son las siguientes: CT-8553-31-MI-MC, CT-8008-16-3 y CT-8008-1S-29-1P con rendimientos de 7 012.5, 6 650 y 6 502 kg/ha respectivamente. Además en la calidad industrial en el rendimiento de pilada (arroz integral) obtuvieron 76, 74.1 y 75.4 por ciento respectivamente. En el índice de pilada (grano entero pulido) presentaron un 82, 83.5 y 82.5 por ciento respectivamente.

Prueba avanzada de rendimiento y evaluación de diez lineas promisorias de arroz (Oryza sativa L.) en comparación con tres variedades comerciales bajo condiciones de secano. Chinandega

El presente trabajo se realizó en el la localidad El Bejuco, municipio El Viejo, departamento Chinandega, con el objetivo de evaluar la adaptabilidad y comportamiento agronómico de diez lineas y tres variedades de arroz en Prueba Avanzada de Rendimiento. Se utilizó el diseño experimental de Bloques Completos al Azar con cuatro repeticiones, el ensayo se estableció en condiciones de secano favorecido, con el método de siembra a chorrillo. Para el siguiente estudio se tomó como parámetro el sistema de Evaluación Estándar del CIAT de Colombia, evaluándose características como floración, altura de planta, acame, exerción, desgrane, senescencia, aceptabilidad fenotípica y la determinación del rendimiento y sus componentes así como la calidad industrial. Los datos cuantitativos se realizaron a través de la prueba de rangos múltiples de Tukey obteniéndose sus respectivas medias. En base a los resultados obtenidos en las evaluaciones de las características agronómicas, para la variable altura todos los cultivares son semienanos, medianamente macolladores, las lineas CT 8008- 16-29-1P, CT 8553-31-MI-MC, CT 9153, P4-127-F3-30, Cuyamel 3820 y CT 5747-24-5 son resistentes al acame. En cuanto a los componentes del rendimiento las mayores longitudes de panícula con 28.6, 27.2 y 25.9 fueron obtenidas por P4-127-F3-30, Taichung sen•10 y CT 8008-16-29-1P; para el número de granos llenos por panículas los mayores valores lo obtuvieron los cultivares INTA N-1, CT 8837-3C-4C-MC, P4-127- F3-30 y Taichung sen-10 con 176, 152 y 151 granos llenos; para peso de 1000 granos los mejores valores lo presentaron los materiales CT 8553-31-MI-MC, Taichung sen-10, CT 8240-1-3-SP y CT 9153 con 28.9, 27.6, 27.5 y 26.9 gramos respectivamente. En rendimiento de grano (Kg/ha) los mejores resultados lo obtuvieron INTA N-1, Taichung sen-10, CT 8240-1-3-5P y CT 8553-31-MI-MC con 4852.6, 4722.0, 4700.1 y 4382.2 kilogramos por hectárea respectivamente.

Evaluación de seis lineas de arroz (Oryza sativa L.), y tres variedades comerciales bajo el sistema de riego, en dos épocas de siembra, en Malacatoya

Con el objetivo de contribuir a aumentar la productividad del cultivo de arroz (Oryza sativa L), mediante la selección de genotipos con alto potencial de rendimiento de grano, que tengan un comportamiento consistente en diferentes ambientes, se evaluaron seis lineas de arroz (Oryza sativa L.) y tres variedades comerciales, bajo el sistema de riego, en dos épocas de siembra, en Malacatoya. Se establecieron dos ensayos de campo, de pruebas avanzadas de rendimiento (PAR). Los experimentos fueron establecidos en terrenos de la hacienda "Las Lajas", municipio de Malacatoya, departamento de Granada, ubicada en los 12° 04' 40" latitud norte y 86° 01 '55" longitud oeste. El primer ensayo se sembró en la época de verano, estableciéndose en Febrero y cosechándose en Junio de 1998. El segundo ensayo se sembró en la época de invierno, estableciéndose en Agosto y cosechándose en Noviembre de 1998. Se utilizó el diseño experimental de Bloques Completos al Azar para analizar los ensayos individuales y el análisis de varianza combinado para analizar la interacción de los genotipos en dos épocas de siembra. Los resultados obtenidos de ambos ensayos evidencian que la línea CT-12249-IP-IP es una línea promisoria, ya que sus componentes de rendimiento son estables tanto en verano como en invierno, destacándose por sus características tales como: aceptabilidad fenotípica y peso de 1,000 semillas, en las cuales ocupó los primeros lugares. La línea CT-12249-1P-lP, es el genotipo que tiene el mejor comportamiento productivo, destacándose por presentar un rendimiento de grano de 5,083 kg/ha en verano, y 7,222 kg/ha en invierno. Asi mismo, la época de siembra tuvo gran influencia en el comportamiento de los genotipos evaluados, ya que en la siembra de invierno los tratamientos mostraron mayor altura, mayor rendimiento de grano y adelanto en los días a flor. En la siembra de invierno, en presencia de altas precipitaciones Y humedad relativa, se determinó una mayor incidencia de enfermedades fungosas, causados por Pyricularía y Helmintosporiosis. En ambos ensayos, todas las líneas evaluadas superaron al testigo Oryzica Llanos.

Cooperative properties of lipid bilayers : collective director fluctuations and the effects of hydrophobic mismatch in protein/lipid membrane systems

Cooperative director fluctuations in lipid bilayers have been postulated for many years. ^2H-NMR T_1^(-1), T_(1P)^(-1) , and T_2^(-1); measurements have been used identify these motions and to determine the origin of increased slow bilayer motion upon addition of unlike lipids or proteins to a pure lipid bilayer.

The contribution of cooperative director fluctuations to NMR relaxation in lipid bilayers has been expressed mathematically using the approach of Doane et al.^1 and Pace and Chan.^2 The T_2^(-1)’s of pure dimyristoyllecithin (DML) bilayers deuterated at the 2, 9 and 10, and all positions on both lipid hydrocarbon chains have been measured. Several characteristics of these measurements indicate the presence of cooperative director fluctuations. First of all, T_2^(-1) exhibits a linear dependence on S2/CD. Secondly, T_2^(-1) varies across the ^2H-NMR powder pattern as sin^2 (2, β), where , β is the angle between the average bilayer director and the external magnetic field. Furthermore, these fluctuations are restricted near the lecithin head group suggesting that the head group does not participate in these motions but, rather, anchors the hydrocarbon chains in the bilayer.

T_2^(-1)has been measured for selectively deuterated liquid crystalline DML hilayers to which a host of other lipids and proteins have been added. The T_2^(-1) of the DML bilayer is found to increase drastically when chlorophyll a (chl a) and Gramicidin A' (GA') are added to the bilayer. Both these molecules interfere with the lecithin head group spacing in the bilayer. Molecules such as myristic acid, distearoyllecithin (DSL), phytol, and cholesterol, whose hydrocarbon regions are quite different from DML but which have small,neutral polar head groups, leave cooperative fluctuations in the DML bilayer unchanged.

The effect of chl a on cooperative fluctuations in the DML bilayer has been examined in detail using ^2H-NMR T_1^(-1), T_(1P)^(-1) , and T_2^(-1); measurements. Cooperative fluctuations have been modelled using the continuum theory of the nematic state of liquid crystals. Chl a is found to decrease both the correlation length and the elastic constants in the DML bilayer.

A mismatch between the hydrophobic length of a lipid bilayer and that of an added protein has also been found to change the cooperative properties of the lecithin bilayer. Hydrophobic mismatch has been studied in a series GA' / lecithin bilayers. The dependence of 2H-NMR order parameters and relaxation rates on GA' concentration has been measured in selectively deuterated DML, dipalmitoyllecithin (DPL), and DSL systems. Order parameters, cooperative lengths, and elastic constants of the DML bilayer are most disrupted by GA', while the DSL bilayer is the least perturbed by GA'. Thus, it is concluded that the hydrophobic length of GA' best matches that of the DSL bilayer. Preliminary Raman spectroscopy and Differential Scanning Calorimetry experiments of GA' /lecithin systems support this conclusion. Accommodation of hydrophobic mismatch is used to rationalize the absence of H_(II) phase formation in GA' /DML systems and the observation of H_(II) phase in GA' /DPL and GA' /DSL systems.

1. J. W. Doane and D. L. Johnson, Chem. Phy3. Lett., 6, 291-295 (1970). 2. R. J. Pace and S. I. Chan, J. Chem. Phy3., 16, 4217-4227 (1982).

Mutações no gene JARID1C e rearranjos subteloméricos como causas de deficiência intelectual familiar de etiologia idiopática

A Deficiência Intelectual (DI) é uma condição complexa, que acomete 2-3% da população mundial, constituindo um importante problema de saúde pública. No entanto, uma parcela significativa dos casos de DI permanece sem um diagnóstico definitivo, o que demonstra que muitos fatores etiológicos associados a esta condição ainda precisam ser elucidados. Há um consenso de que o número de homens com DI supera em 30% o número de mulheres, um achado atribuído à presença de mutações em genes localizados no cromossomo X. Dentre os genes presentes neste cromossomo que são expressos no cérebro, o Jumonji AT-rich interactive domain 1C (JARID1C) foi identificado como um potencial candidato a estar relacionado à DI ligada ao X (DILX). O gene JARID1C codifica uma desmetilase da lisina 4 da histona H3 (H3K4), imprescindível para a regulação epigenética. Tão importante quanto o estudo do gene JARID1C em pacientes com DI é a busca por variações no número de cópias gênicas (VNCs) em regiões cromossômicas subteloméricas. Genes relacionados ao desenvolvimento cerebral são enriquecidos em VNCs e as regiões subteloméricas são mais susceptíveis à formação destes rearranjos. Diante do exposto, neste estudo, investigamos mutações no gene JARID1C (exons 3, 4, 5, 8, 10, 14 e 23) em 148 homens portadores de DI pertencentes a famílias com padrão de segregação sugestivo de DILX. Paralelamente, analisamos VNCs subteloméricas em 174 homens com DI familiar de etiologia idiopática, independente do padrão de segregação. Para todos os indivíduos selecionados, amostras de DNA genômico foram extraídas a partir de sangue periférico e alterações genéticas frequentemente relacionadas à DI foram previamente excluídas (expansões trinucleotídicas nos loci FRAXA e FRAXE e mutações nos genes MECP2 e ARX). A análise do gene JARID1C foi realizada pela técnica de PCR, seguida da análise dos produtos amplificados por sequenciamento. Foram identificadas quatro variantes silenciosas (c.564G>A, c.633G>C, c.1884G>A, c.1902C>A). Através da análise in silico de sequências exônicas acentuadoras de splicing (ESEs) localizadas nas posições das variantes encontradas, foi possível classificar a variante c.1884G>A como neutra e as três variantes restantes como possíveis criadoras de ESEs. Já para a investigação das VNCs subteloméricas, foi utilizada a metodologia de Multiplex Ligation-dependent Probe Amplification (MLPA), capaz de identificar microdeleções e microduplicações nas 46 regiões subteloméricas. Para este fim, inicialmente, os indivíduos foram investigados pelo kit de MLPA P036, enquanto que para aqueles que exibiram alterações também foi utilizado o kit P070. A validação das VNCs encontradas foi realizada por PCR quantitativo em Tempo Real. A análise por MLPA revelou um indivíduo apresentando duas deleções (9p e 13q), um indivíduo apresentando duas amplificações (1p e 2p), dois indivíduos apresentando uma deleção e uma amplificação (18p e 18q; 4p e 8p), quatro indivíduos portadores de uma deleção cada (10p, 20p, 3q e 22q) e dois indivíduos com uma amplificação cada (7q e 20p). Algumas das alterações subteloméricas encontradas (2,87%) representam VNCs de relevância clínica para o estudo da DI, reforçando a importância do rastreamento de rotina de VNCs subteloméricas na DI familiar. Consideramos que a elucidação de novos genes ou mecanismos moleculares diretamente relacionados à DI é um caminho promissor e urgente para o estabelecimento de novas estratégias terapêuticas possíveis.

Formation, structure and fluorescence of CdS clusters in a mesoporous zeolite

CdS clusters are formed in the pores of a mesoporous zeolite in which the size of the clusters may be adjusted. The size of the clusters increases as the CdS loading is increased. X-ray diffraction investigation shows that the lattice constants of the clusters contract upon increasing size. This contraction is attributed to an increase of the static pressure exercised by the zeolite framework as the clusters grow bigger. Both the excitonic and trapped emission bands are detected and become more intensive upon decreasing size. Three absorption bands appear in the photoluminescence excitation (PLE) spectra and they shift to the blue as cluster size decreases. Based on the effective-mass approximation, the three bands are assigned to the 1S-1S, 1S-1P and 1S-1D transitions, respectively. The size-dependence of the PLE spectra can also be explained. (C) 1997 Elsevier Science Ltd.

聚合物共混体系的相容性及基固核磁共振研究

本工作对几个不同类型的聚合物/聚合物共混体系-PS/SBR，EVA/CPE，PVF_2/PEMA和PMAA/PEO-的相容性和共混物中分子基团的相互作用进行了探讨和研究。主要结果有：（1）对不同PS分子量的PS/SBR聚合物共混体系进行了形态观察和Tg测量，结果表明共混物的相容性随PS组分的分子量、组成和温度变化。（2）用固体NMR测量进一步证实了EVA/CPE是分子之间均匀混合的相容共混体系。T_1值在测试温度范围内都符合自旋强相互作用偶合的加和式。（3）对PVF_2/PEMA共混体系进行了固体NMR研究，测量得到~1H的T_1和T_2随温度的变化曲线，用PC/MAS技术得到共混体系的高分辨~(13)C MNR谱，并从各个化学位移峰强对交叉极化接触时间的变化曲线拟合得到不同基团的~1H T_(1p)和T_(CH)。（4）用二维NMR技术通过质子自旋交换相互作用，考察了聚电解质与水溶性聚合物的共混物PMAA/PEO中各个化学基团之间的空间接近程度。

Photoluminescence of ZnS clusters in zeolite-Y

Two obvious emissions are observed from the ZnS clusters encapsulated in zeolite-Y. The emission around 355 nm is sharp and weak, locating at the onset of the absorption edge. The band around 535 nm is broad, strong and Stokes-shifted. Both the two emissions shift to blue and their intensities firstly increase then decrease as the loading of ZnS in zeolite-Y or clusters size decreases. Through investigation, the former is attributed to the excitonic fluorescence, and the latter to the trapped luminescence from surface states. The cluster size-dependence of the luminescence may be explained qualitatively by considering both the carrier recombination and the nonradiative recombination rates. Four peaks appearing in the excitation spectra are assigned to the transitions of 1S-1S, 1S-1P, 1S-1D and surface state, respectively. The excitation spectra of the clusters do not coincide with their absorption spectra. The states splitted by quantum-size confinement are detected in the excitation spectra, but could not be differentiated in the optical absorption spectra due to inhomogeneous broadening. The size-dependence of the excitation spectra is similar to that of the absorption spectra. Both the excitation spectra of excitonic and of trapped emissions are similar, but change in relative intensity and shift in position are observed.

中子核和铅区核的结构研究

我们首先用Woods-Saxon势对一些丰中子核进行了系统的计算．计算表明在Woods-Saxon势中考虑一个对称能项，Woods-Saxon势就能够很好的描述丰中子核的密度分布，单粒子能级结构和中子质子的均方根半径．用Woods Saxon势的计算结果表明中子皮是丰中子远离β稳定线核的普遍现象。2S1/2轨道与1d 5/2轨道的交又和2s1d壳与1p壳的壳崩渍是中子晕形成的重要原因，也是中子晕与中子皮的一个重要区别．壳模型的计算能够很好的再现9《A《14和3《Z《5丰中子核的许多性质，这表明了，改进壳模型的有效相互作用，壳模型可能能够描述远离核的性质． 我们208Ti一类核和206Pb的一些性质进行了系统的壳模型计算．计算结果表明，K-H和SDI等有效相互作用对描述208Ti一类核和206Pb的高激发态仍然是有效的，计算结果也表明，如果208Hg可供利用的β衰变能比206Hg小，则可以预计208Hg的半寿命比206Hg要长.计算还证实了在反应209Bi（ρ，a )206Pb中激发的206Pb激发态结构，与205Tl低激发态结构相似，即这些态可以用h9/2轨道上的一个质子与205T1的低激发态的弱耦合来描述，此即所谓的对应的相似多重态的概念． 最后，我们对11Li等中子晕核的束缚机制提出了一种新的关联机制和讨论了用壳模型描述集体运动的方法．

反刍动物的比较分子细胞遗传学研究

1. 反刍动物核型演化研究 反刍亚目是偶蹄目中最大的亚目，包括鼷鹿下目(鼷鹿科)和有角下目(叉角 羚羊科、长颈鹿科、麝科、牛科和鹿科)。许多物种具有巨大的经济价值（如： 牛，羊，鹿和麝，等）和重要的科学研究价值（如麂类动物）。对反刍动物进行 细胞遗传学研究，不仅可以为动物遗传育种和驯化提供重要的理论依据和合理 建议，也可以为生物演化等基础科学研究提供新的见解和理论阐释。种间染色 体涂色可以快速、准确地检测物种间全基因组水平上的同源性，已经成为比较 细胞遗传学研究的首选技术。通过构建物种间的染色体同源图谱，分析保守的 同源染色体片段在不同物种、不同类群核型中的分布和排列方式，可以推导各 类群可能的祖先核型并重建伴随物种形成所发生的基因组结构变化(包括染色 体重排的类型、速率和核型演化的趋势等)，为系统发育关系研究提供重要的细 胞遗传学证据。 本研究首次通过种间染色体涂色技术，利用小麂染色体特异探针，大规模 建立了小麂与牛科、鹿科及长颈鹿科代表物种间的染色体同源关系，阐明了其 核型演化中所发生的染色体重排，并以染色体重排为特征，构建了反刍动物各 类群的核型系统发生树。结果表明：1) 有角下目动物的共同祖先核型为2n=58， 牛科2n=60 的祖先核型和鹿科2n=70 的祖先核型都由共同祖先核型经过染色体 分离演化而来；2）与鹿科动物的核型相比，麝科动物与牛科动物的核型比较保 守，更接近共同祖先的核型，二者共有更多的核型特征；3）在有角下目的绝大 多数类群中，罗伯逊易位是导致核型多样化的主导染色体重排方式；鹿科的麂 亚科是个例外，染色体间不断地串联融合使其核型发生了迅速而极端的变化, 导致现生各种极大的核型差异；4）长颈鹿的核型演化较为复杂，除了广泛的罗 伯逊易位外，还涉及到其它类型的染色体重排，如，着丝粒位置变化、串联融 合及染色体内部倒位。现在，黄牛的基因组序列已拼接完毕，鹿、羊的基因组 测序正在进行，本论文中构建的反刍动物间的染色体同源图谱有助于将已有的基因组序列信息向其它反刍动物转移。 2. 麂属动物染色体演化研究 鹿科的麂属动物以快速的物种辐射、迅速而极端的核型演化和不断的新种 发现成为染色体重排与物种形成研究的理想模型。已有的细胞遗传学研究证明 麂属动物的祖先核型为2n=70，染色体间的串联融合是导致其核型迅速演化， 染色体数目急剧降低的主要原因。但是，关于麂属动物核型演化，还有很多问 题没有解决，如，黑麂、贡山麂、费氏麂核型演化中串联融合的类型没有确定， 导致串联融合的分子机制依然不清楚。 本研究利用比较BAC 定位技术首次构建小麂－黑麂、小麂－贡山麂、小麂 －费氏麂、小麂－毛冠鹿染色体间的比较BAC 图谱，研究结果丰富和发展了“串 联融合假说”的内容，对麂属动物的核型演化提出了新的阐释：1）在毛冠鹿、 黑麂、贡山麂和费氏麂的核型演化中所发生的串联融合均为着丝粒－端粒型融 合；2）黑麂1p+4 染色体的演化大体经历了三个步骤，主要涉及染色体易位和 臂间倒位；1p+4 的存在使雄性黑麂具有独特的X1X2Y1Y2Y3 性染色体系统， 1p+4 可以看作新的Y染色体(neo-Y),将是哺乳动物性染色体起源研究的理想模 型； 3）黑麂、贡山麂和费氏麂各自有独特而稳定的基因组结构和核型特征， 支持它们各自为独立的种。此外，实验中筛选出的70 个麂类着丝粒特异的或 C5 样的重复序列克隆将有助于研究麂类基因组中重复序列的类型、组成、结构、 演化及导致串联融合频繁发生的分子机制.

Potential P limitation leads to excess N in the pearl river estuarine coastal plume

There is excess nitrate (NO3) in the Pearl River coastal plume in the southern waters of Hong Kong in summer. We hypothesize that phosphorus (P) limitation controls the utilization of excess NO3 due to the high N:P ratio in the Pearl River. To test this hypothesis, we conducted two 1-day cruises on July 13 and 19, 2000 to examine the response of the phytoplankton to P additions with respect to changes in biomass, uptake of nutrients and nutrient uptake ratios using a batch incubation of natural water samples collected from the Pearl River estuary and adjacent coastal waters. At a station (E1, salinity =5) in the Pearl River estuary, the N/P ratio at the surface was 46:1, (64 muM DIN: 1.3 muM PO4) and decreased to 24:1 (12 muM DIN: 0.5 muM PO4) downstream at a station (Stn 26, salinity =26) in the coastal plume south of Hong Kong. Without a P addition, NO3 in the water samples collected at E1 could not be depleted during a 9 day incubation (similar to20 muM NO3 remaining). With a P addition, NO3 disappeared completely on day 6 with the depletion of the added PO4 (2-3 muM). This was also true for a station, E4 (salinity= 15) further downstream, but within the estuary. At Stn 26, in the coastal plume south of Hong Kong, NO3 (similar to11.5 muM) was eventually depleted without the addition of PO4, but it took 8 days instead of 5 days for Stn E4. The uptake ratio of dissolved inorganic nitrogen (DIN) to PO4, without a P addition was 51:1, 43:1 and 46:1 for Stns E1, E4 and 26, respectively. With a P addition, the DIN/PO4 uptake ratio decreased to 20:1, 14:1 and 12:1, respectively, for the 3 stations. These results clearly indicate potential P limitation to utilization of NO3 in the Pearl River estuary, resulting in excess NO3 in waters of the coastal plume downstream of the estuary, some of which would eventually be transported offshore. High uptake ratios of N:P without a P addition (43N:1P) suggest that phytoplankton have a nitrogen uptake capacity in excess of the Redfield ratio of 16N: 1P by 2.5-3 times. The value of 2.5-3 times was likely a maximum that should have contained a contribution of P released from desorption of P from sediments or from regeneration by zooplankton grazing and bacterial activity during the incubation of natural water samples. Without a P addition, however, phytoplankton biomass did not increase. This means that P turnover rates or regeneration may allow phytoplankton to take up additional N in excess of the Redfield ratio and store it, but without increasing the algal biomass. Therefore, high ambient N:P ratios in excess of the Redfield ratio do indicate potential P limitation to phytoplankton biomass in this estuarine coastal ecosystem. (C) 2004 Elsevier Ltd. All rights reserved.

Epoxidation of propylene with dilute H2O2 over titanium silicalite containing trace aluminum

Titanium silicalite (TS-1) was successfully synthesized by using TPABr as the template and silica sol as silicon source in a 100 l stainless steel autoclave. IR, XRD, UV--vis, elemental analysis, and (2)7Al and (3)1P MAS NMR were used to characterize the synthesized products. The results show that the synthesized material has an MFI structure with high crystallinity and large crystal size and two kinds of titanium species. Trace aluminum in silica sol is also incorporated into the zeolite framework. The synthesized TS-1 exhibits high activity in the epoxidation of propylene with dilute H2O2 with high selectivity to methyl mono-ethers and low selectivity to propylene oxide (PO). The low selectivity toward PO is due to the residual acidity onto TS-1. The selectivity of PO can reach up to 90% through adjusting the pH of the reaction mixture. Extra amounts of base decrease the H2O2 utilization and the H2O2 conversion. However, in over acid-treated TS-1 in which part removal of extra-framework titanium takes place, the utilization of H2O2 is quite different: for the low Si/Ti ratio of TS-1, the H2O2 utilization increases. But the utilization of H2O2 does not change for the high Si/Ti ratio TS-1. Thermal analysis shows that the as-synthesized TS-1 exhibits high activity and thermal stability in the calcined range 540-900 degreesC.

Breit-Pauli R-matrix calculation of fine-structure effective collision strengths for the electron impact excitation of Mg V

Context. Electron-impact excitation collision strengths are required for the analysis and interpretation of stellar observations.
Aims. This calculation aims to provide effective collision strengths for the Mg V ion for a larger number of transitions and for a greater temperature range than previously available, using collision strength data that include contributions from resonances.
Methods. A 19-state Breit-Pauli R-matrix calculation was performed. The target states are represented by configuration interaction wavefunctions and consist of the 19 lowest LS states, having configurations 2s22p4, 2s2p5, 2p6, 2s22p33s, and 2s22p33p. These target states give rise to 37 fine-structure levels and 666 possible transitions. The effective collision strengths were calculated by averaging the electron collision strengths over a Maxwellian distribution of electron velocities.
Results. The non-zero effective collision strengths for transitions between the fine-structure levels are given for electron temperatures in the range = 3.0 - 7.0. Data for transitions among the 5 fine-structure levels arising from the 2s22p4 ground state configurations, seen in the UV range, are discussed in the paper, along with transitions in the EUV range – transitions from the ground state 3P levels to 2s2p5?3P levels. The 2s22p4?1D–2s2p5?1P transition is also noted. Data for the remaining transitions are available at the CDS.

Collisional-radiative calculations of He line emission in low-temperature plasmas

We present spectral modeling results for neutral helium. Our underlying atomic data contains radiative transition rates that are generated from atomic structure calculations and electron-impact excitation rates, that are determined from both the standard R-matrix method and the R-matrix with pseudostates RMPS method. In this paper, we focus on transitions of particular importance to diagnostic line ratios. For example, our calculated rate coefficient for the electron-impact transition 1s3s 1S→1s3p 1P, which has a pronounced effect on the 728.1 nm diagnostic spectral line, is found to be in good agreement with previous experimental mea- surements. We also consider transitions from the 1s2 1S ground and 1s2s 3S terms to terms of the n=4 shell. They are found to be affected significantly by coupling of the bound states to the target continuum continuum coupling, which is included in our RMPS calculation, but not in our standard R-matrix calculation. We perform collisional-radiative calculations to determine spectral line intensity ratios for three ratios of particular interest, namely the 504.8 nm/471.3 nm, 492.2 nm/471.3 nm, and 492.2 nm/504.8 nm line ratios. Comparing our results determined from the RMPS excitation rates with those from the standard R-matrix excitation rates, we find that continuum coupling affects the rate coefficients significantly, leading to different values for all three line ratios. We also compare our modeling results with spectral measurements taken recently on the Auburn Helicon plasma device, finding that the ground and metastable populations are not in equilibrium, and that the experimental measurements are more consistent with the 1s2s 3S metastable term populations being short lived in the plasma.