Diluted chemical bath deposition of CdZnS as prospective buffer layer in CIGS solar cell

In this study, dilute chemical bath deposition technique has been used to deposit CdZnS thin films on soda-lime glass substrates. The structural, morphological, optoelectronic properties of as-grown films have been investigated as a function of different Zn²⁺ precursor concentrations. The X-ray diffractogram of CdS thin-film reveals a peak corresponding to (002) plane with wurtzite structure, and the peak shift has been observed with the increase of the Zn²⁺ concentration upon formation of CdZnS thin film. From morphological studies, it has been revealed that the diluted chemical bath deposition technique provides homogeneous distribution of film on the substrate even at a lower concentration of Zn²⁺. Optical characterization has shown that the transparency of the film is influenced by Zn²⁺ concentration and when the Zn²⁺ concentration is varied from 0 M to 0.0256 M, bandgap values of resulting films range from 2.42 eV to 3.90 eV while. Furthermore, electrical properties have shown that with increasing zinc concentration the resistivity of the film increases. Finally, numerical simulation validates and suggests that CdZnS buffer layer with composition of 0.0032 M Zn²⁺ concentration would be a promising candidate in CIGS solar cell.     

Note of Caution for the Aqueous Behaviour of Metal-Based Drug Candidates

Poor aqueous solubility is one of the recurrent drawbacks of many compounds in medicinal chemistry. To overcome this limitation, the dilution of drug candidates from stock solutions of an organic solvent is common practice. However, the precise characterisation of these compounds in aqueous solutions is often neglected, leading to some uncertainties regarding the nature of the actual active species. In this communication, we demonstrate that two ruthenium complexes previously reported by our group for their chemotherapeutic potential against cancer, namely [Ru(DIP)₂(sq)](PF₆) and [Ru(DIP)₂(3-methoxysq)](PF₆), where DIP is 4,7-diphenyl-1,10-phenanthroline, sq=semiquinonate and 3-methoxysq=3-methoxysemiquinonate, form colloids in water-DMSO (1 % v/v) mixtures that are invisible to the naked eyes. [Ru(DIP)₂(3-methoxysq)](PF₆) was found to form a highly stable and monodispersed colloid with nanoaggregates of ∼25 nm. In contrast, [Ru(DIP)₂(sq)](PF₆) was found to form large reticulates of mostly spherical aggregates which size was found to increase over time. The difference in size and shape distribution of drug candidates is of tremendous significance as the study of their biological activity might be severely affected. Overall, we strongly believe that these observations should be taken into account by the scientific community working on the development of metal-based drugs with poor water solubility.     

以有机化学课程内容为引导，加强课程思政的探索与实践

有机化学是化学化工、材料、制药、食品等多个专业的基础课程,在其教学过程中,教师可以根据课程的内容及特点,分别以有机化学发展中的重大历史事件、有机化物的性质及有机反应为引导,开展学生的思想品德教育,加强课程思政建设。     

Trans fatty acids in commercial cookies and biscuits: An update of Portuguese market

Cookies and biscuits are a recognized source of trans fatty acids (TFA). Aware of its consumption worldwide, an update on TFA content was taken in 2012, in a total of 50 samples commercialized in Portugal. Despite the absence of specific Portuguese legislation, TFA amounts in cookies and biscuits are generally low, with TFA amounts lower than 0.1 g per 100 g, and an average of 0.6% in the extracted fat in 49 of the 50 samples analyzed. Unfortunately, one sample presented 27% of TFA in the lipids, highlighting that the problem is still present. Also, a high prevalence of saturated fatty acids was observed, as high as 92.4% in the fat (53.0% on average). This fact is also a major health concern, particularly when the reformulation of these products in the last years (2006–2012) was effective regarding TFA reduction but seemed to have occurred at expenses of increasing SFA, thus reducing the potential beneficial effect achievable by replacing with cis-unsaturated fats, as generally recommended.     

N-Substituted Nipecotic Acids as (S)-SNAP-5114 Analogues with Modified Lipophilic Domains

Potential mGAT4 inhibitors derived from the lead substance (S)-SNAP-5114 have been synthesized and characterized for their inhibitory potency. Variations from the parent compound included the substitution of one of its aromatic 4-methoxy and 4-methoxyphenyl groups, respectively, with a more polar moiety, including a carboxylic acid, alcohol, nitrile, carboxamide, sulfonamide, aldehyde or ketone function, or amino acid partial structures. Furthermore, it was investigated how the substitution of more than one of the aromatic 4-methoxy groups affects the potency and selectivity of the resulting compounds. Among the synthesized test substances (S)-1-{2-[(4-formylphenyl)bis(4-methoxyphenyl)-methoxy]ethyl}piperidine-3-carboxylic acid, that features a carbaldehyde function in place of one of the aromatic 4-methoxy moieties of (S)-SNAP-5114, was found to have a pIC₅₀ value of 5.89±0.07, hence constituting a slightly more potent mGAT4 inhibitor than the parent substance while showing comparable subtype selectivity.     

Real-time molecular characterization of air pollutants in a Hong Kong residence: Implication of indoor source emissions and heterogeneous chemistry

Due to the high health risks associated with indoor air pollutants and long-term exposure, indoor air quality has received increasing attention. In this study, we put emphasis on the molecular composition, source emissions, and chemical aging of air pollutants in a residence with designed activities mimicking ordinary Hong Kong homes. More than 150 air pollutants were detected at molecular level, 87 of which were quantified at a time resolution of not less than 1 hour. The indoor-to-outdoor ratios were higher than 1 for most of the primary air pollutants, due to emissions of indoor activities and indoor backgrounds (especially for aldehydes). In contrast, many secondary air pollutants exhibited higher concentrations in outdoor air. Painting ranked first in aldehyde emissions, which also caused great enhancement of aromatics. Incense burning had the highest emissions of particle-phase organics, with vanillic acid and syringic acid as markers. The other noteworthy fingerprints enabled by online measurements included linoleic acid, cholesterol, and oleic acid for cooking, 2,5-dimethylfuran, stigmasterol, iso-/anteiso-alkanes, and fructose isomers for smoking, C₂₈-C₃₄ even n-alkanes for candle burning, and monoterpenes for the use of air freshener, cleaning agents, and camphor oil. We showed clear evidence of chemical aging of cooking emissions, giving a hint of indoor heterogeneous chemistry. This study highlights the value of organic molecules measured at high time resolutions in enhancing our knowledge on indoor air quality.     

基于组合双向拍卖的云资源调度方法

针对跨数据中心的资源调度问题，提出了一种基于组合双向拍卖（PCDA）的资源调度方案。首先，将云资源拍卖分为三个部分：云用户代理报价、云资源提供商要价、拍卖代理组织拍卖；其次，在定义用户的优先级及任务紧迫度的基础上，在拍卖过程中估算每一个工作发生的服务等级协议（SLA）违规并以此计算云提供商的收益，同时每轮竞拍允许成交多项交易；最终达到根据用户等级合理分配云资源调度的效果。仿真实验结果表明该算法保证了竞拍成功率，与传统一次拍卖成交一项的组合双向拍卖方案相比，PCDA在竞拍时间段产生的能耗降低了35.00%，拍卖云提供商的利润提高了约38.84%。     

The effects of electrical comminution on the mineral liberation and surface chemistry of a porphyry copper ore

The surface chemistry and mineral liberation changes of a porphyry copper ore after high voltage pulse (HVP) electrical comminution have been investigated using X-ray photoelectron spectroscopy (XPS) and mineral liberation analysis (MLA). Previous studies suggest that electrical comminution has the potential to improve downstream flotation recoveries, due to increased mineral liberation. However, until now the effects on the surface chemistry have not been investigated in detail.The mineral liberation results showed that chalcopyrite was more liberated in the electrical comminution product than in mechanical comminution, noticeably in the coarser size fractions. The surface chemistry of pure chalcopyrite was investigated, using XPS, and high resolution scans of iron and sulphur showed that both comminution methods led to iron oxidising preferentially leaving behind a passivating film of copper sulphides. However, the HVP product oxidisation was more severe with more iron oxide being produced and further oxidation of the remaining copper sulphides into copper sulphate. An attrition grinding stage may be useful in removing the oxidised layer from the surface of the particles prior to flotation separation. This paper presents a new application of the HVP technology in hybrid procedures using electrical comminution and mechanical grinding to prepare the flotation feed, rather than using excessive pulse energy to fully disintegrate ore to the flotation size. Better liberation and flotation performance were achieved through the hybrid procedures than the comparative mechanical comminution.     

Multichromic polymers based on pyrene clicked thienylpyrrole

In this study, the effect of pendant pyrene on the optical and electronic properties of poly(2,5‐dithienylpyrrole)s was studied. For this purpose a new pyrene coupled 2,5‐dithienylpyrrole derivative (SNS‐pyrene) was synthesized through click reaction. SNS‐pyrene was electrochemically polymerized and its electrochemical and optical properties were investigated by electrochemical and optical techniques. The polymer had a band gap of 3.36 eV and displayed light green to blue color variation upon oxidation in less than 2.48 s. Additionally, electrochemical copolymerization of SNS‐pyrene with 3,4‐ethylenedioxythiophene was achieved whilst a detailed investigation was performed on the effect of electrochemical polymerization conditions on the optoelectronic properties of the copolymers. Studies revealed that the copolymers exhibit multichromic reversible redox behavior with lower band gaps and shorter switching times than their parent polymer, P(SNS‐pyrene) © 2014 Society of Chemical Industry.