Heterometallic sulfide cluster [Ag6Sn6S20]10 −: Solvothermal syntheses and characterizations of silver thiostannates with lanthanide complex counter cations

Novel organic hybrid silver thiostannates [Hen]₄[Ln(en)₄]₂[Ag₆Sn₆S₂₀]·3en (Ln = Er, 1; Tm, 2; Yb, 3) were prepared by the reactions of Ln₂O₃, Ag, Sn and S in ethylenediamine (en) under solvothermal conditions. Six SnS₄ tetrahedra and six AgS₃ triangles are connected into the heterometallic sulfide cluster [Ag₆Sn₆S₂₀]^10 − via edge-sharing. In the [Ag₆Sn₆S₂₀]^10 − cluster, a hexanuclear Ag₆S₆ core is enclosed by two Sn₃S₁₀ fragments. The Ag₆S₆ core is the first As–S cluster stabilized by inorganic SnS₄ ligands. In 1–3, all Ln^3 + ions are in 8-fold coordination environments that involved four bidentate en ligands, forming bicapped trigonal prisms. Compounds 1–3 show well-defined absorption edges with band gaps in the range of 2.18–2.47 eV.     

Application of iot medical image detection and prenatal genetic testing in obstetric clinic

The use of new techniques and methods can be significantly improved during prenatal examination and screening of fetal genetic abnormalities. Expanding the number of vectors in screening and screening for single-cell gene diseases in fetal DNA will increase the probability of success of the whole screening test.Recently, sub chromosomal abnormalities have been introduced into prenatal care. The lack of suitable tools makes it very difficult to obtain information about collection, management, and prenatal genetic testing. The purpose of this study is to improve the accessibility of nutritional information by using the advantages of advanced medical image detection and integrating the IoT (Internet of Things) and prenatal genetic testing platforms in obstetric outpatient clinics. Records are kept that the platform will allow IoT to interact with sensor practitioners and provide immediate access to medical images prior to delivery. This proposed system provides an IoT application for managing obstetric outpatient information and prenatal genetic testing requirements. The requirement for establishment is the realization of the development of an IoT platform for complete medical image detection information management with IoT input required for integration with existing medical information systems. In response, the purpose of the study is to use integrated IoT applications to help nutrition professionals, researchers, patients, and especially mothers, to enhance their collection of medical imaging and prenatal genetic testing IoT sensor based information transfer.     

Paradigm and performance analysis of distributed frequent itemset mining algorithms based on Mapreduce

FrequentItemsetMining (FIM) is one of the most important data mining tasks and is the foundation of many data mining tasks. In Big Data era, centralized FIM algorithms cannot meet the needs of FIM for big data in terms of time and space, so Distributed Frequent Itemset Mining (DFIM) algorithms have been designed to meet the above challenges. In this paper, LocalGlobal and RedistributionMining which are two main paradigms of DFIM algorithm are discussed; Two algorithms of these paradigms on MapReduce named LG and RM are proposed while MapReduce is a popular distributed computing model, and also the related work is discussed. The experimental results show that the RM algorithm has better performance in terms of computation and scalability of sites, and can be used as the basis for designing the DFIM algorithm based on MapReduce. This paper also discusses the main ideas of improving the DFIM algorithms based on MapReduce.     

Evaluation of the combination mode of azoles antifungal inhibitors with CACYP51 and the influence of Site-directed mutation

14α-demethylase (CYP51) is an essential metabolic enzyme for fungal survival and has been considered as an interesting target for the development of new antifungal inhibitors. Azoles antifungal inhibitors in the treatment of fungal diseases are good candidates via the interaction with the target enzyme CYP51 of fungus. In the study, we constructed the homology model for Candida albicans CYP51 (CACYP51) and analyzed the active site. In order to better understand the structural characteristics of azoles inhibitors and combination mode, the common feature pharmacophore model and the molecular docking were performed. The results suggest that the azoles inhibitors consist of three chemical features: the aromatic groups, phenyl groups and the azoles groups. The aromatic groups of inhibitors occupy the upper of active pocket, the phenyl groups and azoles groups occupy the bottom of active pocket. Further validation studies found these amino acid residues Tyr118, His310 and Ser378 play an important role in the substrate binding, and these amino acid residues with site-directed mutation will weaken the combining ability of the inhibitors.     

Oligothiophene-based small molecules with 3,3′-difluoro-2,2′-bithiophene central unit for solution-processed organic solar cells

Two new oligothiophene-based small molecules, namely DRCN6T-F and DRCN8T-F, with 3,3′-difluoro-2,2′-bithiophene as the central building block and 2-(1,1-dicyanomethylene)-rhodanine as end groups, were designed and synthesized. Compared to their non-fluorinated counterparts DRCN6T and DRCN8T, DRCN6T-F and DRCN8T-F exhibit enhanced intermolecular interactions and lower HOMO energy levels. However, PCEs of 2.26% and 5.07% were obtained for DRCN6T-F and DRCN8T-F based optimized devices, respectively, lower than those of non-fluorinated molecules DRCN6T and DRCN8T. The relatively poor performance for the DRCN6T-F and DRCN8T-F were mainly caused by their low short-circuit current densities, due to their unfavorable morphologies and low charge carrier mobilities.     

Consumer interest in receiving information through social media about the risks of pesticide residues

A consumer segmentation approach was used to determine consumer interest in using social media to obtain information concerning the risks of pesticide residues on vegetables. A total of 497 Flemish consumers participated in an online survey in March 2012 to assess interest in social media applications like Facebook, Twitter, YouTube, forums and blogs, and Wikipedia as channels for receiving information about pesticide residues from official bodies. The participants were segmented in four clusters depending on their level of information sufficiency and level of interest in social media applications: “very satisfied; interested” (24%), “not satisfied; very interested” (28%), “not satisfied; some interest” (25%) and “satisfied; little interest” (23%). The segments with higher levels of satisfaction displayed higher trust in oneself and in public bodies to deal with the risks of pesticide residues and also contained relatively more males. Differences in information sufficiency between the segments were associated with different methods of information acquisition, i.e. by purposeful information seeking or by incidental information acquisition. The segments with higher interest in social media displayed higher familiarity and higher appreciation for the opportunities of social media. These segments also contained relatively younger participants. Popular channels like Facebook and Twitter scored low in terms of perceived usefulness, even among high users. Wikipedia on the other hand was perceived by all segments as the most useful and credible online source when it comes to information about risks of pesticide residues. Speed and accessibility were the main motives for using social media applications as an information channel while lack of trustworthiness was the main barrier.     

Development of efficient docking strategies and structure-activity relationship study of the c-Met type II inhibitors

c-Met is a transmembrane receptor tyrosine kinase and an important therapeutic target for anticancer drugs. In the present study, we systematically investigated the influence of a range of parameters on the correlation between experimental and calculated binding free energies of type II c-Met inhibitors. We especially focused on evaluating the impact of different force fields, binding energy calculation methods, docking protocols, conformation sampling strategies, and conformations of the binding site captured in several crystallographic structures. Our results suggest that the force fields, the protein flexibility, and the selected conformation of the binding site substantially influence the correlation coefficient, while the sampling strategies and ensemble docking only mildly affect the prediction accuracy. Structure-activity relationship study suggests that the structural determinants to the high binding affinity of the type II inhibitors originate from its overall linear shape, hydrophobicity, and two conserved hydrogen bonds. Results from this study will form the basis for establishing an efficient computational docking approach for c-Met type II inhibitors design.     

Low temperature cleanup combined with magnetic nanoparticle extraction to determine pyrethroids residue in vegetables oils

To quantify trace pesticide residue in vegetable oil rapidly, low temperature cleanup combined with magnetic nanoparticle based solid phase extraction was developed to determine eight pyrethroids in vegetable oils, including tetramethrin, fenpropathrin, cypermethrin, decamethrin, fenvalerate, acrinathrin, permethrin and bifenthrin. Polystyrene coated magnetic nanoparticles were synthesised by a modified chemical coprecipitation combined with emulsion polymerisation method. The nanoparticles were afterwards characterised by Fourier transform-infrared spectroscopy, X-ray diffraction, transmission electron microscopy as well as vibrating sample magnetometer, and successfully employed as adsorbents for the magnetic solid phase extraction of pyrethroids which were cleaned up using low temperature approach in advance. Critical impact factors on the efficiency of the extraction method such as the mass of adsorbents used, volume and type of eluent solvent, extraction time as well as elution time were optimised subsequently. Regression analysis of the calibration curves of the eight pyrethroids yielded satisfactory correlation coefficients within the range of 0.980–0.998. Limit of detection and limit of quantification were calculated to be between 0.0290-0.0658 and 0.0890–0.1994 ng g⁻¹, respectively. Intra-day and inter-day reproducibility at different concentration levels also produced satisfactory recovery rates of 83.18–112.79% with relative standard deviations not exceeding 10.84% and 12.01%, respectively, suggesting desirable stability of the proposed method.     

经济欠发达地区农村居民对家庭便携式药包的需求分析

目的分析经济欠发达地区农村居民对家庭便携式药包的需求,为科学设计适合农村居民使用的家庭便携式药包提供依据。方法对经济欠发达地区的江西省永新县芦溪乡卫生院、河北省平山县西柏坡镇卫生院、甘肃省临洮县新添镇中心卫生院的3个基本型卫生院辖区内的139户农村居民对家庭便携式药包的需求采用随机抽样与整群抽样相结合的方法及农村居民常用药品与药械问卷调查表进行调查。结果139户农村居民中,84．2％（117／139）的家庭期望拥有家庭便携式药包。芦溪乡、西柏坡镇、新添镇农村居民对家庭便携式药包需求率分别为：89．6％（43／48）、93．2％（41／44）、70．2％（33／47）,芦溪乡、西柏坡镇农民居民对家庭便携式药包需求率均明显高于新添镇（P〈O．05）。117户农村居民期望在家庭便携式药包中能放置的药品分别为：感冒药（84．6％）、创口贴（63．2％）、风油精（51．3％）、清凉油（47．0％）、高血压用药（32．5％）、碘酊（31．6％）、其他用药（25．6％）、糖尿病用药（5．1％）;农村居民期望便携式药包的大小为：长（25．84±7．51）cm,宽（18．25±7．18）cm,高（16．38±7．26）cm;农村居民期望家庭便携式药包的功能特点分别为：轻便（52．1％）、安全（50．4％）、适用（46．2％）、防水（45．3％）、经济（39．3％）、简单（36．8％）、防晒（28．2％）、防腐蚀（22．2％）、抗压（22．2％）;农村居民期望家庭便携式药包的价格在≥10～〈15元（29．9％）;在材质要求方面,86．3％农村居民倾向于硬材料,硬材料选择铝合金、塑料者分别占35．0％、34．2％;只有13．7％农村居民选择软材料,选择软材料者以帆布材料居多（6．8％）。结论基本型卫生院辖区内农村居民对家庭便携式药包的需求率较高。只有充分满足多数农村居民的需求,才能保证家庭便携式药包推广使用,从而减少农村居民的不合理用药。     

环胞苷二棕榈酸酯脂质体粒度分布及微黏度的测定

对环胞苷二棕榈酸酯脂质体的物理稳定性进行了评价。用反相蒸发法制备环胞苷二棕榈酸酯脂质体,将其与空白脂质体对照,分别测定了它们受热前后的粒度分布及微黏度。结果表明,经37℃,40 h温育后其平均粒径仅增加了0.54μm,而空白脂质体增加了1.35μm。环胞苷二棕榈酸酯脂质体的微黏度比空白脂质体提高了近一倍。环胞苷二棕榈酸酯载于脂质体上提高了脂质体的物理稳定性。