Laser spectroscopy of high spin isomers – a review

This review summarizes the experimental data on charge radii differences among ground state and high spin isomeric states determined by high-resolution laser spectroscopic methods. A comparison is presented between radii changes obtained from the isomeric shifts in the atomic spectra and from the quadrupole moments of both ground and isomeric states under the assumption that the radii changes are determined by the difference of the quadrupole deformations. Special attention is paid to isomers arising from the break-up of nucleon pairs and isomers of odd–odd nuclei. The characteristic features of the radii changes for isomeric states of different origin are discussed.     

Synthesis and Crystal Structur of (4,4''-H2bipy)[CdBr4]·H2O

The title compound (4,4'-H2bipy)[CdBr4]·H2O 1 has been synthesized via hydrothermal reaction and characterized by X-ray diffraction. The crystal belongs to monoelinic,space group P21/c with a=8.260(3), b=23.926(7), c=9.774(2) (A), β=106.777(9)°,C10H12Br4CdN2O, Mr=608.26, V=1849.4(9)(A)3, Z=4, Dc=2.185 g/cm3, S=1.005, μ(MoKα)=9.814 mm-1, F(000)=1128, R=0.0646 and wR=0.0989. The crystal structure analysis of 1reveals that the title compound features an isolated structure, based on discrete 4,4'-H2bipy moieties and lattice water molecules which are linked by hydrogen bonds together with tetrahedral cadmium atoms terminally coordinated by four bromine atoms.     

云南几次中强地震热红外异常特征对比研究

云南省位于多个地块交界处，构造活动活跃且地震活动频发。利用中国静止气象卫星风云二号系列相当黑体温度TBB数据，应用小波变换和相对傅氏功率谱的时频相对功率谱方法（T-F RPS），提取并分析了云南省2008年至今发生的5.5级以上地震热红外异常信息，且对比分析了特征周期、特征幅值、异常形态、异常演化过程等参数。结果表明：（1）该系列地震热红外异常信息易于用时频相对功率谱方法（T-F RPS）提取识别，且异常特征具有"出现-扩大-减小-消失"的规律；（2）异常特征周期和持续时间也具有一定的规律性；（3）异常沿着断层延展，震中位于异常边缘一侧或者异常区域交汇地带，发震时刻多位于相对功率谱幅值下降阶段；（4）震级与相对功率谱峰值有一定的相关性，震级高，峰值也较高；（5）地震类型与异常面积有一定的相关性，双震型地震异常面积较大。此外，讨论了地震热红外异常与构造活动、气候状况、天气情况和季节等因素的关系。     

Structural explanation of the spectral features of the nonsymmetrical complex {2,3,7,8,12,13,17,18‐octaethyl‐5‐[(methylimino)methyl]porphyrinato‐κ4N21,N22,N23,N24}palladium(II)

The features of porphyrins defining their functionality are related to their conformational flexibility. The degree of nonplanarity of metalloporphyrins depends directly on the number of substituents, their size and their location. The introduction of substituents in the meso positions of β‐substituted porphyrins increases the steric interaction and leads to distortions of the porphyrin core. Increasing the distortion of the porphyrin core would augment the bathochromic (red) shift of the electronic absorption spectra. A new nonsymmetrical 2,3,7,8,12,13,17,18‐octaethyl‐5‐[(methylimino)methyl]porphyrin complex of palladium(II), [Pd(C₃₈H₄₇N₅)], was synthesized and characterized by NMR, mass spectrometry and X‐ray analysis. The features of the electronic absorption spectrum of the synthesized complex are explained by the planarity of the porphyrin core and the π‐system of the imino group orthogonal to it.     

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.     

Visual Speech Recognition with Lightweight Psychologically Motivated Gabor Features

Extraction of relevant lip features is of continuing interest in the visual speech domain. Using end-to-end feature extraction can produce good results, but at the cost of the results being difficult for humans to comprehend and relate to. We present a new, lightweight feature extraction approach, motivated by human-centric glimpse-based psychological research into facial barcodes, and demonstrate that these simple, easy to extract 3D geometric features (produced using Gabor-based image patches), can successfully be used for speech recognition with LSTM-based machine learning. This approach can successfully extract low dimensionality lip parameters with a minimum of processing. One key difference between using these Gabor-based features and using other features such as traditional DCT, or the current fashion for CNN features is that these are human-centric features that can be visualised and analysed by humans. This means that it is easier to explain and visualise the results. They can also be used for reliable speech recognition, as demonstrated using the Grid corpus. Results for overlapping speakers using our lightweight system gave a recognition rate of over 82%, which compares well to less explainable features in the literature.     

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.