Combined use of three forms of chiroptical spectroscopies in the study of the absolute configuration and conformational properties of 3-phenylcyclopentanone, 3-phenylcyclohexanone,and 3-phenylcycloheptanone

Three forms of chiroptical spectroscopies, electronic circular dichroism (ECD), vibrational circular dichroism (VCD), and optical rotatory dispersion (ORD) have been employed to study the configuration and conformational properties of the three molecules: (S)-3-phenylcyclopentanone, (S)-3-phenylcyclohexanone, and (S)-3-phenylcycloheptanone (including (S)-3-phenylcyclopentanone-2,2,5,5-d₄ and (S)-3-phenylcyclohexanone-2,2,6,6-d₄). ECD and VCD spectra in the mid-IR for the three molecular systems are marginally dependent on fine conformational details, as interpreted in terms of standard DFT computational methods, with common spectroscopic features to the three systems clearly identified. Accounting for vibronic coupling mechanisms reproduces the structuring of ECD n→π^∗ band. The ORD curves are quite similar for the three types of molecules, but their interpretation highlights a crucial role played by conformations of the cycloalkanone ring in the case of (S)-3-phenylcycloheptanone. The same conclusions are reached by considering the VCD spectra in the CH-stretching region.     

Insight into luminescent iridium complexes: Their potential in light-emitting electrochemical cells

Cyclometallated iridium complexes possess fascinating electrochemical and photophysical properties that make them excellent candidates for a variety of photonic and optoelectronic applications. In particular, light-emitting electrochemical cells (LEECs) based on iridium-containing ionic transition-metal complexes (Ir-iTMCs) are a promising alternative to conventional organic light-emitting diodes with several advantages, including a simpler device structure, solution processability, and reduced manufacturing costs. This review aims to provide a comprehensive and systematic overview of the current status of Ir-iTMC-based LEECs using the archetypal complex [Ir(ppy)₂(bpy)]PF₆ as a reference emitter. After a discussion of the device fundamentals and important photophysical and device parameters, key strategies for tuning the emission characteristics and device stability through LUMO and HOMO stabilization/destabilization are presented using numerous examples from the literature, with a particular focus on ligand modification with hydrophobic, electron-withdrawing, and electron-donating substituents, π-stacking interactions, and alternative ancillary and cyclometalated ligand skeletons. Comprehensive data tables summarizing the photophysical and LEEC properties of the various classes of iridium complexes reported to date are also provided. Finally, in an effort to highlight promising directions for future research, the current champion iridium complexes for fabricating state-of-the-art LEECs are identified, and the merits and limitations of existing approaches are discussed.     

Immobilization of Eversa® Transform via CLEA Technology Converts It in a Suitable Biocatalyst for Biolubricant Production Using Waste Cooking Oil

The performance of the previously optimized magnetic cross-linked enzyme aggregate of Eversa (Eversa-mCLEA) in the enzymatic synthesis of biolubricants by transesterification of waste cooking oil (WCO) with different alcohols has been evaluated. Eversa-mCLEA showed good activities using these alcohols, reaching a transesterification activity with isoamyl alcohol around 10-fold higher than with methanol. Yields of isoamyl fatty acid ester synthesis were similar using WCO or refined oil, confirming that this biocatalyst could be utilized to transform this residue into a valuable product. The effects of WCO/isoamyl alcohol molar ratio and enzyme load on the synthesis of biolubricant were also investigated. A maximum yield of around 90 wt.% was reached after 72 h of reaction using an enzyme load of 12 esterification units/g oil and a WCO/alcohol molar ratio of 1:6 in a solvent-free system. At the same conditions, the liquid Eversa yielded a maximum ester yield of only 34%. This study demonstrated the great changes in the enzyme properties that can be derived from a proper immobilization system. Moreover, it also shows the potential of WCO as a feedstock for the production of isoamyl fatty acid esters, which are potential candidates as biolubricants.     

A Metabolomic Approach to Beer Characterization

The consumers’ interest towards beer consumption has been on the rise during the past decade: new approaches and ingredients get tested, expanding the traditional recipe for brewing beer. As a consequence, the field of “beeromics” has also been constantly growing, as well as the demand for quick and exhaustive analytical methods. In this study, we propose a combination of nuclear magnetic resonance (NMR) spectroscopy and chemometrics to characterize beer. ¹H-NMR spectra were collected and then analyzed using chemometric tools. An interval-based approach was applied to extract chemical features from the spectra to build a dataset of resolved relative concentrations. One aim of this work was to compare the results obtained using the full spectrum and the resolved approach: with a reasonable amount of time needed to obtain the resolved dataset, we show that the resolved information is comparable with the full spectrum information, but interpretability is greatly improved.     

Rapid and label-free classification of pathogens based on light scattering,reduced power spectral features and support vector machine

The rapid identification of pathogens is crucial in controlling the food quality and safety. The proposed system for the rapid and label-free identification of pathogens is based on the principle of laser scattering from the bacterial microbes. The clinical prototype consists of three parts: the laser beam, photodetectors, and the data acquisition system. The bacterial testing sample was mixed with 10 mL distilled water and placed inside the machine chamber. When the bacterial microbes pass by the laser beam, the scattering of light occurs due to variation in size, shape, and morphology. Due to this reason, different types of pathogens show their unique light scattering patterns. The photo-detectors were arranged at the surroundings of the sample at different angles to collect the scattered light. The photodetectors convert the scattered light intensity into a voltage waveform. The waveform features were acquired by using the power spectral characteristics, and the dimensionality of extracted features was reduced by applying minimal-redundancy-maximal-relevance criterion (mRMR). A support vector machine (SVM) classifier was developed by training the selected power spectral features for the classification of three different bacterial microbes. The resulting average identification accuracies of E. faecalis,E. coli and S. aureus were 99%, 87%, and 94%, respectively. The overall experimental results yield a higher accuracy of 93.6%, indicating that the proposed device has the potential for label-free identification of pathogens with simplicity, rapidity, and cost-effectiveness.     

货车枕簧丢失故障动态图像识别方法

针对货车运行故障动态图像检测,提出无故障目标识别工作模式,解决货车枕簧丢失故障的自动识别问题。利用Haar特征提取枕簧特征信息,基于AdaBoost算法选取特征并构建层叠分类器,等比缩放搜索窗口检测货车图像,最终分选出无故障的枕簧图像,从而大大地减少了待识别图像的数量,显著地提高了人工识别效率。实验表明,该算法使用的特征简单,搜索策略高效,不受枕簧位置、缩放和旋转的影响,抗噪能力强,对分辨率低、局部遮挡、光照不足或过度曝光等质量较差的图像仍具有很强的适应性,所提出的方案能够满足全天候条件下的货车枕簧目标识别,为货车故障动态图像检测的工程化应用奠定了基础。     

鲁科版高中化学必修新教材情境素材分析与教学建议

研读新课程标准中的相关要求,分析鲁科版必修新教材的情境素材类型和呈现方式,得出教材中情境素材具有:微项目使实践情境大放异彩、史实情境彰显中华民族自信、情境素材充分体现STSE教育理念等特点.据此提出从静态的教材情境到动态的教学情境转化的3条教学建议:充分重视教材栏目所蕴含的情境教学功能;深挖教材情境素材所承载的学科核心...     

A novel rigid wheel for agricultural machinery applicable to paddy field with muddy soil

The working performance of agricultural machinery is largely determined by the walking performance of the wheel when driving in complex unstructured soil. However, the driving performance of existing wheels is not satisfactory for paddy field with muddy soil. The purpose of the current study is therefore to propose a novel rigid wheel for agricultural machinery which is applicable to paddy field with muddy soil. Firstly, a novel arc edge shaped wheel was designed based on the principles of mechanics on the ground. Then the driving performance of this arc edge shaped wheel was evaluated using FE modeling of interaction between rigid wheel and soil. Finally, the structure originally designed arc edge shaped wheel was improved according to FE modeling results, and this improved design was further evaluated by both FE simulation and prototype experiments. Both FE modeling and experimental results indicate that the improved arc edge shaped wheel proposed in this study has a good driving performance with regarding to wheel sinkage and soil reaction force. The proposed arc edge shaped wheel could be used as an effective component of rice harvester for paddy field with muddy soil.