Androgen receptor binding affinity of pesticide "active" formulation ingredients. QSAR evaluation by COREPA method

The COREPA approach for identifying the COmmon REactivity PAttern of biologically similar chemicals was employed to upgrade the recently derived affinity pattern for high androgen receptor (AR) binding affinity. The training set consisted of 28 steroidal and nonsteroidal ligands whose AR binding affinity was determined in competitive binding assays (in terms of pKi). The interatomic distances between nucleophilic sites and their charges providing distinct and non-overlapping integral patterns for active and inactive chemicals were assumed that it was related with the endpoint, which was under study. These stereoelectronic characteristics were used to predict pKi values of pesticide "active" formulation ingredients in an attempt to identify chemicals with potential AR binding affinity.     

Thermochemistry of triboactivated natural and NH<Subscript>4</Subscript>-exchanged clinoptilolite mixed with Tunisian apatite

Mechanical tribo- and thermo-chemical methods applied for remodeling phosphate raw materials manifest a number of advantages over the conventional technologies. They are related to the reduction of soil contamination and minimization of the released gas emissions in the environment and generate solid wastes. In this work, natural and NH₄-exchanged clinoptilolite are used for increasing the transition of P₂O₅ into assimilated by plants form during tribochemical activation (TCA). Better nutrients assimilation as well as green production could be achieved by applying such a treatment based on the ion-exchange reactions taking place in the soil. The occurring upon TCA structural changes and phase transformations of the used Tunisian phosphorite, natural and NH₄-exchanged clinoptilolite as well as their mixtures are investigated by means of X-ray powder diffraction, IR spectroscopy, and thermal analysis. The thermal method gives evidence for solid phase reactions and increased reactivity as a result of the tribochemical treatment. This treatment leads also to minimization of the size of crystallites, amorfization of the samples, and increasing amount of hydroxyl and carbonate ions in the apatite structure. Treated samples are highly soluble. In addition, conditions for almost complete solubility of P₂O₅ were found. This study shows that some of the produced compositions are suitable for fertilizers or soil conditioners.     

人参二醇类皂苷的生物转化动态及人参稀有皂苷C-K或F2的制备

为了低成本有效制备人参稀有皂苷C-K或F₂, 将A. niger g.848菌酶用于转化含有人参皂苷(质量分数)分别为49.6% Rb₁, 25.9% Rd, 19.3% Rc和5.23% Rb₂的西洋参二醇混合皂苷. 霉菌发酵时, 采用人参二醇皂苷诱导物比人参提取液诱导物的产酶总活力提高10%~15%. 所产的2种诱导酶均能水解人参二醇皂苷的3-O-和20-O-多种糖基, 均为人参皂苷酶Ⅰ型; 但是人参二醇皂苷诱导物所产酶几乎全部转化人参二醇皂苷为C-K, 而人参提取液诱导物所产酶则残留中间产物. 使用黑曲霉人参二醇皂苷诱导所产酶, 在转化西洋参二醇皂苷的动态研究中发现, 酶反应1.5~2.5 h, 主要为产物F₂; 酶反应12 h后, 主要产物为C-K皂苷. 基于此, 40 g人参二醇类皂苷在45 ℃粗酶反应24 h, 经处理得到含C-K质量分数为87%的23 g酶反应产物, C-K转化率达85%(摩尔分数). 用40 g西洋参二醇皂苷在45 ℃粗酶反应2.5 h, 经处理得到含有质量分数为58%的F₂和27%的C-K的26 g酶反应产物, F₂转化率为50.4%, C-K转化率为29.5%. 通过人参二醇皂苷诱导的黑曲霉粗酶转化人参二醇类皂苷动态研究, 建立了C-K转化率为85%, F₂转化率为50%的制备方法, 为大批量制备提供了基础依据.     

Thermochemical characterization of chicken litter and peat as a source for energy recovery

The shortage of raw materials and the environmental problems due to pollution require development of new green technologies utilizing some wastes and transforming them to secondary raw materials. The aim of this work is to study the properties of poultry waste to propose possibilities to minimizing the released emissions and avoiding the risk for human health and the environment. At the same time, two types of low grade peats with different origin are studied as components for the production of soil conditioners. During the studies, we applied the inductively coupled plasma (ICP) and chemical analysis, powder X-ray diffraction, thermal analysis, IR spectroscopy, and scanning electron microscopy for determining the composition, crystal phase, the shape and size of particles, and thermal stability of the investigated samples. The chemical and the phase compositions of the studied samples confirmed that the content of nutrient compounds and of the carbon substances is suitable as an effective secondary raw material for soil conditioners. It is found that the poultry wastes and peat samples have a similar phase and chemical composition and contain an organic mass in the form of carbon components with amorphous, fibrous, and skeleton-like structure, suitable to be combined with other nutrient-containing compounds. During the thermal treatment, the carbon compounds are oxidized releasing heat. Based on that the materials under study are considered as environmentally friendly fuels, releasing relatively low emissions.