Magnetic Circular Dichroism of Porphyrin Lanthanide M3+ Complexes

Lanthanide complexes exhibit interesting spectroscopic properties yielding many applications as imaging probes, natural chirality amplifiers, and therapeutic agents. However, many properties are not fully understood yet. Therefore, we applied magnetic circular dichroism (MCD) spectroscopy, which provides enhanced information about the underlying electronic structure to a series of lanthanide compounds. The metals in the M³⁺ state included Y, La, Eu, Tb, Dy, Ho, Er, Tm, Yb, and Lu; the spectra were collected for selected tetraphenylporphin (TPP) and octaethylporphin (OEP) complexes in chloroform. While the MCD and UV‐VIS absorption spectra were dominated by the porphyrin signal, metal binding significantly modulated them. MCD spectroscopy was found to be better suited to discriminate between various species than absorption spectroscopy alone. The main features and trends in the lanthanide series observed in MCD and absorption spectra of the complexes could be interpreted at the Density Functional Theory (DFT) level, with effective core potentials on metal nuclei. The sum over state (SOS) method was used for simulation of the MCD intensities. The combination of the spectroscopy and quantum‐chemical computations is important for understanding the interactions of the metals with the organic compounds. Chirality 26:655–662, 2014. © 2014 Wiley Periodicals, Inc.     

Mechanism and regulation of the violaxanthin cycle: The role of antenna proteins and membrane lipids

The violaxanthin cycle describes the reversible conversion of violaxanthin to zeaxanthin via the intermediate antheraxanthin. This light-dependent xanthophyll conversion is essential for the adaptation of plants and algae to different light conditions and allows a reversible switch of photosynthetic light-harvesting complexes between a light-harvesting state under low light and a dissipative state under high light. The photoprotective functions of zeaxanthin have been intensively studied during the last decade, but much less attention has been directed to the mechanism and regulation of xanthophyll conversion. In this review, an overview is given on recent progress in the understanding of the role of (i) xanthophyll binding by antenna proteins and of (ii) the lipid properties of the thylakoid membrane in the regulation of xanthophyll conversion. The consequences of these findings for the mechanism and regulation of xanthophyll conversion in the thylakoid membrane will be discussed.     

Spreading of Trioza apicalis and development of “Candidatus Liberibacter solanacearum” infection on carrot in the field conditions

Carrot cultivation in Europe is suffering from infections with “Candidatus Liberibacter solanacearum” (CLso), a psyllid‐transmitted bacterial pathogen. In this study, field experiments were carried out in Finland to separately measure the effects of psyllid feeding damage and CLso infection on the carrot root growth and to reveal the dynamics of the spreading of CLso within the field. Most of the experiments were carried out during the summers 2016 and 2017, and a follow‐up sampling was performed in 2018. Carrot psyllid (Trioza apicalis) flight activity was monitored and carrots were sampled at 25 points within the field. Early in the season a clear spatial correlation was found between the sampling sites showing the psyllid feeding damage, that is, leaf‐curling, up to the range of 40–60 m, indicating aggregation behaviour of the psyllids. No CLso infections were detected in the first sampling, which was performed before the psyllid flight peak in both years. Later, a positive correlation between the psyllid feeding damage and the CLso titre was observed. An increase in the CLso titre occurred approximately a month after the psyllid flight peak, and this increase correlated with the accumulating effective temperature sum. In 2016, both the psyllid feeding damage and CLso infection had a significant effect on the carrot root weight. The effect of CLso titre on root weight was nonlinear, that is, it intensified rapidly at the highest bacterial titres. During the colder summer of 2017 the CLso titres did not reach high enough levels in the plants to cause substantial visible symptoms and root growth reduction. Thus, it seems that in the Nordic conditions the effect of CLso infection on carrot yield is strongly dependent on the weather conditions during the growing season.     

On Multiple Time-step Algorithms and the Ewald Sum

Abstract

We show how standard multiple time-step algorithms devised for systems with short-range potentials can be used successfully in simulations of periodic systems with long-range (Coulombic) potentials. Three strategies for incorporating the Ewald sum into a multiple time-step algorithm are considered. These are (i) evaluation of reciprocal space terms every time-step (ii) evaluating reciprocal space terms once every n time-steps and placing these terms in with the slowly varying forces and energies (iii) a modified form of the second strategy in which primary shell (close) electrostatic interactions are evaluated directly and the more distant interactions handled by the Ewald sum (once every n time-steps). Only the first and third approaches give satisfactory thermodynamic results. The third strategy is much more efficient than the first. With the third strategy substantial savings in cpu time are acheived in both the real space and, most importantly, the reciprocal space terms of the Ewald sum. This is achieved without significant loss of accuracy or stability. Overall execution time is decreased by a factor of between 2 and 3.     

Differences in preterm and term milk fatty acid compositions may be caused by the different hormonal milieu of early parturition

Introduction

The hormonal milieus of pregnancy and lactation are driving forces of nutrient fluxes supporting infant growth and development. The decrease of insulin sensitivity with compensatory hyperinsulinemia with advancing gestation, causes adipose tissue lipolysis and hepatic de novo lipogenesis (DNL).

Subjects and methods

We compared fatty acid (FA) contents and FA-indices for enzyme activities between preterm (28–36 weeks) and term (37–42) milks, and between colostrum (2–5 days), transitional (6–15) and mature (16–56) milks. We interpreted FA differences between preterm and term milks, and their changes with lactation, in terms of the well known decrease of insulin sensitivity during gestation and its subsequent postpartum restoration, respectively.

Results

Compared with term colostrum, preterm colostrum contained higher indices of DNL in the breast (DNL-breast) and medium chain saturated-FA (MCSAFA), and lower DNL-liver and monounsaturated-FA (MUFA). Preterm milk also had higher docosahexaenoic acid (DHA) in colostrum and transitional milk and higher arachidonic acid (AA) in mature milk. Most preterm-term differences vanished with advancing lactation. In both preterm and term milks, DNL-breast and MCSAFA increased with advancing lactation, while DNL-liver, MUFA, long chain SAFA and AA decreased. DHA decreased in term milk. MUFA was inversely related to MCSAFA in all samples, correlated inversely with PUFA in colostrum and transitional milks, but positively in mature milk. MCSAFA correlated inversely with PUFA in mature milk.

Conclusion

Higher maternal insulin sensitivity at preterm birth may be the cause of lower MUFA (a proxy for DNL-liver) and higher MCSAFA (a proxy for DNL-breast) in preterm colostrum, compared with term colostrum. Restoring insulin sensitivity after delivery may be an important driving force for milk FA-changes in early lactation.     

Cumulative Damage Survival Models for the Randomized Complete Block Design

A continuous time discrete state cumulative damage process {X(t), t ≥ 0} is considered, based on a non‐homogeneous Poisson hit‐count process and discrete distribution of damage per hit, which can be negative binomial, Neyman type A, Polya‐Aeppli or Lagrangian Poisson. Intensity functions considered for the Poisson process comprise a flexible three‐parameter family. The survival function is S(t) = P(X(t) ≤ L) where L is fixed. Individual variation is accounted for within the construction for the initial damage distribution {P(X(0) = x) | x = 0, 1, …,}. This distribution has an essential cut‐off before x = L and the distribution of L – X(0) may be considered a tolerance distribution. A multivariate extension appropriate for the randomized complete block design is developed by constructing dependence in the initial damage distributions. Our multivariate model is applied (via maximum likelihood) to litter‐matched tumorigenesis data for rats. The litter effect accounts for 5.9 percent of the variance of the individual effect. Cumulative damage hazard functions are compared to nonparametric hazard functions and to hazard functions obtained from the PVF‐Weibull frailty model. The cumulative damage model has greater dimensionality for interpretation compared to other models, owing principally to the intensity function part of the model.     

Gradients for the evolution of bimatrix games

The evolutionary dynamics of bimatrix games is studied for rescaled partnership games and zero sum games. The former case leads to gradient systems. The selection equations for sexual and asexual reproduction of genotypes corresponding to mixed strategies are analysed. As examples, the origin of anisogamy and cyclic chases for predator-prey coevolution are studied.     

棉露尾甲发育起点温度和有效积温的研究

在 1 5 ,2 0 ,2 5 ,3 0和 3 5℃下 ,测定了棉露尾甲Haptoncusluteolus(Erichson)各虫态的发育历期。结果表明 ,卵到蛹各虫态历期随温度升高而呈抛物线变化 ,3 0℃时发育历期最短 ;成虫寿命及世代历期随温度升高呈负线性变化。对试验结果采用了 2种方法计算发育起点温度和有效积温 ,并用变异系数进行检验。结果表明 ,除预蛹期外 ,其它各虫态用最优化法计算结果优于直线回归法 ,卵、幼虫、预蛹、蛹、雌雄成虫产卵前期的发育起点温度分别为 :9 9,7 9,8 6,9 5 ,1 3 0 ,1 3 3和 5 7℃ ,有效积温分别为 :2 6 4,5 3 9,5 4 91 5 1 6,1 3 4 1 ,5 2 4和 3 2 2 0日·度 ;预蛹期的发育起点温度和有效积温分别为 4 8℃和 94 1日·度。     

小陇山油松林乔木层生物量相容性线性模型

以甘肃小陇山的油松林分为对象,应用图形分析、相关分析和回归分析法,建立了基于森林资源调查资料的林分生物量相容性线性模型.结果表明,小陇山油松林分各组分生物量(W)与林分活立木蓄积量(V)、与林分平均胸径-平均树高-林分密度(-D2-Hρ)均存在极其显著的线性相关关系.采用代数和法,建立了W=a bV、W=a b(-D2-Hρ)2种形式的林分乔木层生物量相容性线性模型,以95%的可靠性估计,2种形式模型的预估精度均在95%以上.理论上证明了W=a 6V这种建立在林分水平上的生物量线性估计模型可直接推广应用到区域尺度.     

嫩江流域生态干旱影响因素及其时空演变格局

近几十年来,嫩江流域湿地大面积萎缩、土地盐碱化严重,干旱频发,严重威胁生态安全、水环境安全和社会经济可持续发展。为量化嫩江流域干旱对生态系统的影响,利用标准化生态缺水指数(SEWDI),结合旋转经验正交函数、累积和曲线和Pearson相关性分析法分析嫩江流域1980-2017年生态干旱的时空演变规律,并利用游程理论提取生态干旱特征。结果表明:(1)生态干旱与影响因子间的相关系数排序为相对湿度 ＞ 归一化植被指数 ＞ 径流 ＞ 降水 ＞ 气温,其中生态干旱和相对湿度相关系数最大且大于0.5,呈现显著相关性,其余因子的相关系数均小于0.5,呈现低度相关性;(2)从SEWDI变化曲线上看,1980-1999年干湿交替呈现出一定的周期性,生态干旱以轻旱和中旱为主,总体呈加剧趋势;2000-2017年极端干旱和极端湿润事件频发,生态干旱总体呈缓解趋势。从累积和曲线上看,1980-1995年为嫩江流域生态干湿状态的正常波动时期,1996-2009年为嫩江流域生态干旱期,2012-2017年为生态湿润期;(3)生态干旱的干旱历时和烈度显示流域西南部严重程度较大,长期干旱风险较高,而流域北部干旱强度较大,较易发生单次较为严重的短期干旱。