Molecular docking analysis on antifungal properties of acid condensate produced from palm kernel shell

The rise in the number of fungi that resisted antifungal action is of serious concern nowadays. In this study, the potential of acid condensate (AC) produced from microwave-assisted pyrolysis of palm kernel shell (PKS) was investigated for its antifungal properties through molecular docking evaluation. The phenolic-rich AC was determined for its chemical compositions using the GC–MS analysis where compounds with the highest phenolics content were further evaluated (using the Autodock Tools 1.5.7) for its potential enzymes/protein binding properties. From the GC–MS analysis, catechol, guaiacol and syringol were present at highest percentages. This directly correlates with results obtained from the molecular docking works where all these ligands managed to bind (indicated by H-bond, π-stacking, hydrophobic interaction) with some of the amino acid at the active sites which indicate its potential to inhibit substrate binding of this enzyme. As a conclusion, this study demonstrated the potential use of AC from agricultural biomass such as PKS as a natural-based antifungal agent that can reduce environmental and health impacts.     

Meta-analysis of the differential effects of habitat fragmentation and degradation on plant genetic diversity

Genetic diversity is a key factor for population survival and evolution. However, anthropogenic habitat disturbance can erode it, making populations more prone to extinction. Aiming to assess the global effects of habitat disturbance on plant genetic variation, we conducted a meta-analysis based on 92 case studies obtained from published literature. We compared the effects of habitat fragmentation and degradation on plant allelic richness and gene diversity (equivalent to expected heterozygosity) and tested whether such changes are sensitive to different life-forms, life spans, mating systems, and commonness. Anthropogenic disturbance had a negative effect on allelic richness, but not on gene diversity. Habitat fragmentation had a negative effect on genetic variation, whereas habitat degradation had no effect. When we examined the individual effects in fragmented habitats, allelic richness and gene diversity decreased, but this decrease was strongly dependent on certain plant traits. Specifically, common long-lived trees and self-incompatible species were more susceptible to allelic richness loss. Conversely, gene diversity decreased in common short-lived species (herbs) with self-compatible reproduction. In a wider geographical context, tropical plant communities were more sensitive to allelic richness loss, whereas temperate plant communities were more sensitive to gene diversity loss. Our synthesis showed complex responses to habitat disturbance among plant species. In many cases, the absence of effects could be the result of the time elapsed since the disturbance event or reproductive systems favoring self-pollination, but attention must be paid to those plant species that are more susceptible to losing genetic diversity, and appropriate conservation should be actions taken.     

分子识别作用下光催化降解偶氮染料酸性红GR

合成了β-环糊精(β-CD)与偶氮染料酸性红GR(ARGR)的包结物,并采用红外光谱仪对ARGR、β-CD及β-CD与ARGR的包结物进行了表征,表征结果显示,β-CD与ARGR的包结物的特征峰的峰形和强度与β-CD相似,但峰位有明显的偏移,说明ARGR进入了β-CD空腔与β-CD发生了分子识别作用。采用TiO2作为催化剂,研究了β-CD分子识别后ARGR的光催化降解行为,实验结果表明,在ARGR质量浓度为20.0 mg/L、β-CD浓度为1.8×10-5 mol/L、体系pH为4.0、TiO2加入量为1.0 g/L、光催化反应时间为60 min的条件下,经β-CD分子识别后ARGR的光催化降解率可达100%。     

锚定金属离子-螯合物的介孔硅除磷性能研究

采用3种介孔硅分子筛制备了锚定金属离子-螯合物的介孔硅吸附剂。系统研究了硅分子筛、螯合剂、金属离子和吸附时间等因素对吸附剂磷吸附性能的影响。结果表明,硅分子筛、螯合物和金属离子对吸附剂的磷吸附性能有显著的影响,其对介孔硅吸附剂磷吸附量影响的顺序分别为:SBA15>MCM41>MCM48,Fe-SH-MCM41<相似文献   

改进测定水中氨氮分子吸收光谱法的试验研究

水中氨氮含量是反应水质状况的重要指标。文章对测定水中氨氮气相分子吸收光谱法(标准号HJ/T195-2005)进行了改进试验研究。第一,对氧化剂的配比进行了改进,使氨氮的测定范围扩展至100μg。第二,对标准HJ/T195-2005中直接使用亚硝酸钠标准溶液做标准曲线的处理方式也做了探讨。通过一系列对比实验认为,应用硫酸铵标准溶液做工作曲线更加准确合理。最后应用改进后的气相分子吸收光谱法和纳氏比色法或滴定法对多种实际废水样品进行同时测定。结果表明,改进后的气相分子吸收光谱法测定氨氮的范围更宽,灵敏度更高和准确度更好。     

有机粘土疏水性吸附过程的分子模拟:烷基碳原子数和有机物logK_(ow)的影响

基于从分子尺度上解析改性剂烷基碳原子数和有机物疏水性对有机粘土吸附能力的影响机制,以从头算的量子化学计算方法(MP2/6-31g(d))模拟了有机粘土在水溶液中的吸附过程.通过计算吸附前后几何构型、能量、化学键和电荷分布等参数的变化,分析了影响有机粘土疏水性吸附的关键因素,并对疏水性吸附作用力的化学本质进行了初步探讨.计算结果表明,烷基碳原子数增加对提高有机物吸附能的作用并不显著,长链烷基提高有机粘土吸附容量的真正原因在于其可提供更多的有机物吸附位.有机物的疏水性(以正辛醇-水分配系数logKow表征)是影响疏水性吸附过程的关键因子,水分子的引力作用对疏水性吸附具有决定性影响,理论上解释了普遍存在的有机物吸附量与logKow呈正相关的实验现象.疏水性吸附力的作用前提是有机物为疏水性,即当水分子的引力作用较弱时疏水性作用力才可以表现出来;而对于亲水性有机物,疏水性吸附力会被水分子的引力所抵消,吸附强度减弱.模拟红外光谱和电荷分布结果表明,吸附前后无化学键断裂和电子得失的发生,只有原子电荷密度的微小变化,据此推测疏水性吸附力以分子间弱相互作用力——London色散力为主.     

稀土/Y分子筛多相催化电解氧化深度去除渗滤液中难降解有机物

采用浸渍和焙烧法制备了以Y分子筛为载体的几种稀土催化剂,并用玻璃纤维包埋催化剂形成反应床体,构建稀土多相催化电解氧化体系,探索这一体系对垃圾渗滤液中难降解有机物的去除效果.同时,以COD值为控制指标,考察了焙烧温度、浸渍液金属离子浓度、稀土元素种类对电催化活性的影响.最后,用SEM和XRD等手段对催化剂的微观结构、表面形貌进行了表征,并与稀土/γ-Al2O3催化剂的电催化活性和结构进行了比较.结果表明,Y分子筛中引入稀土元素后没有破坏Y分子筛的晶体结构,稀土/Y分子筛催化剂的表面并没有检测到稀土氧化物的物相,稀土/γ-Al2O3催化剂的表面形成了明显的稀土氧化物衍射峰;稀土/Y分子筛催化剂的最佳制备条件为焙烧温度400℃,浸渍液中金属离子质量分数1%～3%,负载金属为铈;所制备的稀土/Y分子筛催化剂具有良好的电催化活性和稳定性,其活性高于稀土/γ-Al2O3催化剂.     

Real-time fluorescent quantitative immuno-PCR method for determination of fluoranthene in water samples with a molecular beacon

A reliable and sensitive competitive real-time fluorescent quantitative immuno-PCR (RTFQ-IPCR) assay using a molecular beacon was developed for the determination of trace fluoranthene (FL) in the environment. Under optimized assay conditions, FL can be determined in the concentration range from 1 fg/mL to 100 ng/mL, with y = 0.194x + 7.859, and a correlation coe cient of 0.967 was identified, with a detection limit of 0.6 fg/mL. Environmental water samples were successfully analyzed, recovery was between 90% and 116%, with intra-day relative standard deviation (RSD) of 6.7%–12.8% and inter-day RSD of 8.4%–15.2%. The results obtained from RTFQ-IPCR were confirmed by ELISA, showing good accuracy and suitability to analyze FL in field samples. As a highly sensitive method, the molecular beacon-based RTFQ-IPCR is acceptable and promising for providing reliable test results to make environmental decisions.     

Selective removal of 2,4-dichlorophenoxyacetic acid from water by molecularly-imprinted amino-functionalized silica gel sorbent

A molecularly-imprinted amino-functionalized sorbent for selective removal of 2,4-dichlorophenoxyacetic acid(2,4-D) was prepared by a surface imprinting technique in combination with a sol-gel process.The 2,4-D-imprinted amino-functionalized silica sorbent was characterized by FT-IR,nitrogen adsorption and static adsorption experiments.The selectivity of the sorbent was investigated by a batch competitive binding experiment using an aqueous 2,4-D and 2,4-dichlorophenol(2,4-DCP) mixture or using an aqueous 2...     

天然水体基于分子生物学的微生物生态学研究

我国天然水体富营养化严重,水体生态系统已失去平衡。作为水生态系统中分解者的微生物,对于水体自净和修复发挥着极其重要的作用,因而了解微生物群落的组成和其动态变化、以及与水环境之间的相互关系对开展水环境生物修复研究是非常必要的。随着生物技术的发展,分子生物学技术被广泛应用于微生物生态学研究。文章主要介绍了分子生物学技术在天然水体微生物生态学中的应用以及天然水体中环境因子与微生物群落的关系。DGGE和TRFLP技术由于具有操作方便、可同时处理大量样品、系统性和有效性强等优点,因而被较多地应用于天然水体中微生物群落结构研究。微生物群落结构及其变化与许多因素有关,包括温度、光照、DO、pH、氮、磷、有机物等,对于不同种类的微生物,各因素的影响效果也有所不同。