孔雀河下游断流河道的环境特征及物种间关系

基于孔雀河下游断流河道的环境因子和植被样地数据,采用聚类与CCA排序法,分析了生境的退化特征以及物种间的相互关系,结果表明:1)断流河道退化生境分为绿洲-荒漠过渡类型、轻度荒漠化类型和盐土荒漠化类型。绿洲-荒漠过渡类型地下水位低、盐分含量相对较低,植被盖度相对较高,土壤维持着原砂质壤土,为潜在退化型;轻度荒漠化类型地下水位、土壤质地与含盐量与前者基本相同,土壤未明显退化,但植被盖度低于10%,植物种类与个体数目都较低,属于轻度退化型;盐土荒漠化类型地下水位高、盐分含量高,土壤机械组成中砂粒比重较大、无建群种幸存,属于重度退化型。2)绿洲-荒漠过渡类型总体联结性为显著正联结,正负联结比小于1,生态系统表现为建群种维系物种关系的不稳定状态;轻度荒漠化类型总体联结性为不显著负联结,正负联结比小于1,表现出生态系统进入退化演替的阶段;盐土荒漠化类型总体联结性为显著正联结,正负联结比大于1,表现出重度退化群落的种间平衡状态,物种间以达到稳定共存,其中,真盐生植物对这种平衡的维持起着重要的作用。3)CCA排序表明,绿洲-荒漠过渡类型形成以胡杨为中心的种间正联结,幸存于盐分适中、水分养分相对较高的生境;轻度荒漠化类型,形成以多枝柽柳与刚毛柽柳相互依存的不显著负联结,幸存于土壤养分、水分相对较低的生境;盐土荒漠化类型形成以盐爪爪、盐节木、盐穗木等真盐生植物维系的显著正联结,幸存于土壤贫瘠、地下水位浅、盐分含量高、沙化严重的生境。     

A biophysical and computational study unraveling the molecular interaction mechanism of a new Janus kinase inhibitor Tofacitinib with bovine serum albumin

The interaction of a recently certified kinase inhibitor Tofacitinib (TFB) with bovine serum albumin (BSA) has been studied, by spectroscopic and molecular docking studies. Spectrofluorimetric measurements at 3 different temperatures (288, 298, and 310 K) showed that TFB quench the intrinsic fluorescence of BSA upon forming a nonfluorescent complex. The intrinsic fluorescence data showed that TFB binds to BSA with binding constant (K _b) of approximately 10⁴M⁻¹, affirming a significant affinity of TFB with BSA. The decrease in Stern‐Volmer quenching constant with increasing temperature exhibited the static mechanism of quenching. Negative value of ΔG (−6.94 ± 0.32 kcal·mol⁻¹), ΔH (−7.87 ± 0.52 kcal·mol⁻¹), and ΔS (−3.14 ± 0.42 cal·mol⁻¹·K⁻¹) at all 3 temperatures declared the reaction between BSA and TFB to be spontaneous and exothermic. Far‐UV circular dichroism spectroscopy results demonstrated an increase in helical content of BSA in the presence of TFB. Moreover, dynamic light scattering measurements showed that TFB resulted into a decrease in the hydrodynamic radii (from 3.6 ± 0.053 to 2.9 ± 0.02 nm) of BSA. Molecular docking studies confirmed that TFB binds near site II on BSA, hydrogen bonding, and hydrophobic interaction were involved in the BSA‐TFB complex formation. The present study characterizing the BSA‐TFB interaction could be significant towards gaining an insight into the drug pharmacokinetics and pharmacodynamics and also in the direction of rational drug designing with better competence, against emerging immune‐mediated diseases, ie, alopecia and rheumatoid arthritis.     

Frustration‐guided motion planning reveals conformational transitions in proteins

Proteins exist as conformational ensembles, exchanging between substates to perform their function. Advances in experimental techniques yield unprecedented access to structural snapshots of their conformational landscape. However, computationally modeling how proteins use collective motions to transition between substates is challenging owing to a rugged landscape and large energy barriers. Here, we present a new, robotics‐inspired motion planning procedure called dCC‐RRT that navigates the rugged landscape between substates by introducing dynamic, interatomic constraints to modulate frustration. The constraints balance non‐native contacts and flexibility, and instantaneously redirect the motion towards sterically favorable conformations. On a test set of eight proteins determined in two conformations separated by, on average, 7.5 Å root mean square deviation (RMSD), our pathways reduced the Cα atom RMSD to the goal conformation by 78%, outperforming peer methods. We then applied dCC‐RRT to examine how collective, small‐scale motions of four side‐chains in the active site of cyclophilin A propagate through the protein. dCC‐RRT uncovered a spatially contiguous network of residues linked by steric interactions and collective motion connecting the active site to a recently proposed, non‐canonical capsid binding site 25 Å away, rationalizing NMR and multi‐temperature crystallography experiments. In all, dCC‐RRT can reveal detailed, all‐atom molecular mechanisms for small and large amplitude motions. Source code and binaries are freely available at https://github.com/ExcitedStates/KGS/ .     

覆膜与滴灌对河套灌区玉米花粒期叶片光合特征的影响

光合作用是作物生长发育和产量形成的基础,栽培方式和土壤含水量变化显著影响作物的光合作用.灌浆期和乳熟期是玉米花粒期2个重要阶段,是玉米籽粒形成和干物质积累的关键时期.通过大田试验研究了河套灌区不同覆膜方式与滴灌水平对不同生育时期玉米光合特征及产量的影响.结果表明: 灌浆期玉米叶片光合特征在不同处理下无显著差异,乳熟期净光合速率和蒸腾速率在半覆膜(B₂)和全覆膜(Q₂)滴灌水平2(350 mm)处理下均显著高于半覆膜(B₁)和全覆膜(Q₁)滴灌水平1(200 mm),并且B₁和Q₁处理下灌浆期叶片的净光合速率、蒸腾速率、水分利用效率及气孔导度等显著高于乳熟期.不同处理下灌浆期和乳熟期叶片的净光合速率、蒸腾速率,灌浆期的气孔导度以及乳熟期的水分利用效率等在日变化上存在着同步关系,均呈现出倒“U”型的日变化特征,而胞间CO₂浓度则呈现相反的变化趋势.逐步回归分析显示,光合有效辐射、大气温度和空气相对湿度等气象因子是影响玉米叶片光合特征的主要环境因子.此外,B₂和Q₂处理下玉米产量显著高于B₁和Q₁处理(分别增加了29.3%和50.9%),但B₁和Q₁处理间并无显著差异.这表明与覆膜方式相比,滴灌水平对干旱地区玉米产量的影响更大.     

香果树实生苗的光合特性及其与环境因子的关系

为确定香果树实生苗的适生环境并为其自然更新提出有针对性策略,研究了不同生境(冠下、冠缘、林窗和林缘)中2年生香果树实生苗的净光合速率、水分利用效率、叶绿素含量、苗高、基径、生物量等的变化及其与生态因子之间的关系.结果表明: 4种生境中的光合有效辐射最大值为50～1380 μmol·m^-2·s^-1,冠下和冠缘中香果树实生苗的净光合速率日变化呈单峰型,而林窗和林缘实生苗的净光合速率日变化呈双峰型;香果树实生苗为耐阴植物,但耐阴能力较弱,其功能叶的光饱和点、补偿点和暗呼吸在4种生境中大小顺序为: 林缘>林窗>冠缘>冠下,表观量子效率的变化规律与之相反;林窗和冠缘2种生境中香果树实生苗的适应能力较强,叶片的蒸腾速率、气孔导度、水分利用效率和净光合速率较高;林窗中香果树实生苗叶片的叶绿素含量较低,但实生苗的生长速度最快,生物量最大;香果树实生苗的净光合速率与光合有效辐射和气孔导度呈显著正相关.对于冠下生境,需降低林冠层密度,增加透光率,以利于香果树实生苗的光合作用;对于林缘生境,则需要增加植被盖度,降低光照强度,以利于其快速生长.