Computational chemistry study of the environmentally important acid-catalyzed hydrolysis of atrazine and related 2-chloro-s-triazines

Many chlorine-containing pesticides, for example 2-chloro-s-triazines, are of great concern both environmentally and toxicologically. As a result, ascertaining or predicting the fate and transport of these compounds in soils and water is of current interest. Transformation pathways for 2-chloro-s-triazines in the environment include dealkylation, dechlorination (hydrolysis), and ring cleavage. This study explored the feasibility of using computational chemistry, specifically the hybrid density functional theory method, B3LYP, to predict hydrolysis trends of atrazine (2-chloro-N4-ethyl-N6-isopropyl-1,3,5-triazine-2,4-diamine) and related 2-chloro-s-triazines to the corresponding 2-hydroxy-s-triazines. Gas-phase energetics are described on the basis of calculations performed at the B3LYP/6-311++G(d,p)//B3LYP/6-31G* level of theory. Calculated free energies of hydrolysis (delta h G298) are nearly the same for simazine (2-chloro-N4,N6-diethyl-1,3,5-triazine-2,4-diamine), atrazine, and propazine (2-chloro-N4,N6-di-isopropyl-1,3,5-triazine-2,4-diamine), suggesting that hydrolysis is not significantly affected by the side-chain amine-nitrogen alkyl substituents. High-energy barriers also suggest that the reactions are not likely to be observed in the gas phase. Aqueous solvation effects were examined by means of self-consistent reaction field methods (SCRF). Molecular structures were optimized at the B3LYP/6-31G* level using the Onsager model, and solvation energies were calculated at the B3LYP/6-311++G(d,p) level using the isodensity surface polarizable continuum model (IPCM). Although the extent of solvent stabilization was greater for cationic species than neutral ones, the full extent of solvation is underestimated, especially for the transition state structures. As a consequence, the calculated hydrolysis barrier for protonated atrazine is exaggerated compared with the experimentally determined one. Overall, the hydrolysis reactions follow a concerted nucleophilic aromatic substitution (SNAr) pathway.     

油料向日葵根系生态与生理特性分析

长期以来对作物地上部分的结构功能和叶光系统进行了大量研究,对向日葵的根系发育规律的研究相对较少,盐渍化地区向日葵根系发育规律的研究就更少。为了有效地研究油料向日葵根系吸水过程和根系分布的关系,本文对向日葵根系生长发育规律和根系密度分布进行研究。     

天峻县北部地区畜牧业发展思考

天峻县北部地区因受气候干旱、鼠虫危害等因素的影响,畜牧业生产逐年下降,通过对存在问题的分析,提出了北部地区今后走退牧还草或休牧育草路子的设想。     

黑皮冬瓜品质综合评价方法的探讨

以24个不同来源、不同类型的黑皮冬瓜为试材,采用数据归一化法进行黑皮冬瓜品质综合评价体系研究。通过对可溶性固形物含量、总酸度、肉质致密性、含水量等营养品质性状以及皮色、瓜形等商品品质性状进行分析,结果表明：肉质致密性以及糖酸比等性状是衡量黑皮冬瓜品质优劣的主要指标,结合当前生产和消费的评价标准,制定了一套综合评价黑皮冬瓜品质的方法。     

土壤容重对生姜生长及产量和品质的影响

以莱芜大姜为试材,研究了容重分别为1.49(CK)、1.36(T1)、1.20(T2)g·cm-3的3种土壤对生姜生长及产量、品质的影响。结果表明,容重较小的土壤,其孔隙度较大,最大持水量较高,有利于生姜植株的生长和产量的提高。生长末期T2的株高、茎粗、分枝数和叶片数分别比CK增加17.9%、14.0%、35.2%和36.1%,单株根、茎、叶、根茎鲜质量分别比CK提高43.3%、24.4%、28.1%和35.2%,收获时CK、T1、T2的产量分别为2534.1、3017.7和3326.8kg·(667m2)-1,处理间差异极显著。此外,生姜根茎干物质、淀粉及挥发油含量随土壤容重降低而降低,而蛋白质、游离氨基酸则相反,粗纤维、可溶性糖及VC含量则基本不受土壤容重的影响。     

Optimization of Agrobacterium-mediated transformation parameters for Melastomataceae spp. using green fluorescent protein (GFP) as a reporter

Agrobacterium-mediated transformation for both Melastoma malabathricum and Tibouchina semidecandra were optimized using green fluorescent protein (GFP) as a reporter. The binary vector pCAMBIA1304 harboring the modified green fluorescent protein (mgfp) gene driven by the CaMV 35S promoter was used. Parameters optimized were bacterial strain, bacterial concentration, pre-culture period, co-cultivation period, immersion time, acetosyringone concentration and wounding type. Results obtained were based on the percentage of GFP expression which was observed 3 days post-transformation. Agrobacterium tumefaciens strain LBA4404 and EHA105 at concentration 1 × 10⁷ cfu ml⁻¹ (OD_600nm 0.8) showed the highest virulence on M. malabathricum and T. semidecandra, respectively. Four days of pre-culture and 2 days of co-cultivation were optimum for M. malabathricum transformation, while 3 days of pre-culture and co-cultivation for T. semidecandra. Result also showed that 60 min of immersion and addition of 200 μM acetosyringone gave the highest percentage of positive transformants for both M. malabathricum and T. semidecandra. Mild wounding also significantly increased the efficiency of M. malabathricum transformation.     

无籽西瓜嫁接稀植配套新品种兴科无籽2号的选育

兴科无籽2号是安徽省无子西瓜研究所1998年以MR四倍体为母本、XR8二倍体为父本杂交,1999 年育成的无籽西瓜新品种。该品种中晚熟,果实黑皮红瓤,中心可溶性固形物含量11％-12％,耐重茬,耐湿、耐贮运。生长势和分枝力强,1株多果和连续坐果习性好。667m2栽植200-300株,单株结果3-5个,单果重5-7kg,产量 4000-5000kg／667m2,是较理想的嫁接稀植技术配套品种。适合华南、长江流域和淮河流域栽培。     

不同卵密度与培养条件对夜蛾斯氏线虫侵染期幼虫形成的影响

利用24孔培养板研究不同营养水平、pH值、温度和卵密度对夜蛾斯氏线虫侵染期幼虫形成的影响。结果表明:在Ringer溶液中,无论卵密度高低,卵或初孵幼虫均很快死亡;在10%基本培养液营养水平条件下线虫的发育停滞在二龄阶段;20%~100%的基本培养液营养水平下,侵染期幼虫的形成比率同营养水平呈负相关,与线虫卵密度呈正相关;适宜线虫向发育期三龄幼虫发育的pH值为7~8,温度为20~25℃,高于或低于此pH值或温度范围均可促使侵染期幼虫的形成;夜蛾斯氏线虫在pH值小于5或温度高于30℃条件下会很快死亡。     

不同品种肉鸡肌肉的组织学特性研究

采用冰冻切片法、借助TIGER细胞图像分析仪对南海麻黄鸡、江西鸡、黄鸡M系、黄鸡N系、黄鸡K系的胸部肌肉的肌纤维直径和肌纤维密度进行了测定。结果表明:①肌纤维直径由小到大依次为江西鸡(30.1±3.1)μm、南海麻黄鸡(35.3±7.8)μm、黄鸡N系(36.7±1.9)μm、黄鸡K系(37.2±0.7)μm、黄鸡M系(38.1±3.1)μm,江西鸡与黄鸡N系、黄鸡K系之间的差异均达到极显著水平(P<0.01)。②肌纤维密度由小到大依次为黄鸡K系(424.5±39.3)根/mm2、M系(465.5±91.9)根/mm2、N系(471.5±63.0)根/mm2、南海麻黄鸡(568.1±59.7)根/mm2和江西鸡(655.5±182.6)根/mm2。③优质肉鸡的肌纤维直径和密度与肌肉品质之间有密切关系。     

Effects of deficit irrigation strategies on cluster microclimate for improving fruit composition of Moscatel field-grown grapevines

The grapevine plays a very important role in the economic, social and cultural sectors of many regions; however vineyards are often grown in regions under stressful conditions and thus they are vulnerable to climate change. The objective of this research was to investigate the effect of partial root-zone drying (PRD) irrigation on vine water relations, vegetative growth, plant microclimate, berry composition and yield components, compared to conventional deficit irrigation (DI, 50% ETc), full irrigation (FI, 100% of ETc) and non-irrigated vines (NI). The study was undertaken in mature ‘Moscatel’ grapevines (Vitis vinifera L.) grown in Pegões, South of Portugal. Compared to the other irrigated treatments, PRD vines showed a better microclimate at the cluster zone with higher incident photosynthetic photon flux density (PPFD). Within the more open canopies of NI and PRD treatments, berry temperatures were higher than those of denser ones (DI and FI). Compared to the conventional irrigation technique the better microclimate observed in PRD vines was a consequence of a reduction in vine growth, where lower values of leaf layer number, leaf area, canopy wideness, water shoots and shoot weight were observed. In PRD vines we observed a tendency to a development of a deeper root system, while DI and FI showed a more homogeneous root distribution throughout the different soil layers. PRD showed an improvement in berry quality with higher values of flavour precursors, and total phenols concentration without any significant yield reduction compared to DI and FI.