High-resolution infrared and theoretical study of four fundamental bands of gaseous 1,3,4-oxadiazole between 800 and 1600 cm

The Fourier transform infrared spectrum of gaseous 1,3,4-oxadiazole, C₂H₂N₂O, has been recorded in the 800–1600 cm⁻¹ wavenumber region with a resolution around 0.0030 cm⁻¹. The four fundamental bands ν₉(B₁; 852.5 cm⁻¹), ν₁₄(B₂; 1078.5 cm⁻¹), ν₄(A₁; 1092.6 cm⁻¹), and ν₂(A₁; 1534.9 cm⁻¹) are analyzed by the standard Watson model. Ground state rotational and quartic centrifugal distortion constants are obtained from a simultaneous fit of ground state combination differences from three of these bands and previous microwave transitions. Upper state spectroscopic constants are obtained for all four bands from single band fits using the Watson model. The ν₄ and ν₁₄ bands form a c-Coriolis interacting dyad, and the two bands are analyzed simultaneously by a model including first and second order Coriolis resonance using the ab initio predicted Coriolis coupling constant . An extended local resonance in ν₂ is explained as higher order b-Coriolis type resonance with ν₆ + ν₁₀, which is further perturbed globally by the ν₁₅ + ν₁₀ level. A fit of selected low-J transitions to a triad model including ν₂(A₁), ν₆ + ν₁₀(B₁), and ν₁₅ + ν₁₀(A₂) using an ab initio calculated Coriolis coupling constant is performed.The rotational constants, ground state quartic centrifugal distortion constants, anharmonic frequencies, and vibration–rotational constants (α-constants) predicted by quantum chemical calculations using a cc-pVTZ and TZ2P basis with B3LYP methodology, are compared with the present experimental data, where there is generally good agreement. A complete set of anharmonic frequencies and α-constants for all fundamental levels of the molecule is given.     

NIR FT－Raman研究铝酸钠溶液的碳酸化过程

本文用ＮＩＲＦＴ－Ｒａｍａｎ光谱仪原位跟踪了铅酸钠溶液的碳酸化过程，观察到此过程的Ｒａｍａｎ光谱呈现振荡现象和非重线性，认为在碳酸化过程中，可能产生Ａｌ２（ＯＨ）离子和进一步缩聚形成的离子。     

CPU散热器换热特性的实验研究

本文对两种不同类型的CPU散热器,整体平直翅片与分段式的平直翅片,在不同加热功率、不同流速下的强迫风冷的传热性能进行了实验研究,得出换热系数主要和来流速度有关,而与加热功率关系不大的结论,并将二者的换热性能进行了对比。结果表明,翅片2的换热系数随流速的变化更强烈,在其他相同条件下,其换热系数甚至可以达到翅片1的两倍。     

Epidemiological Study of Voice Disorders Among Teaching Professionals of La Rioja, Spain

The purpose of the present study was to calculate the prevalence and incidence of voice disorders among teaching staff and find out the associated occupational risk factors. A case-control study was performed with 905 teachers, 579 cases and 326 controls; 492 were randomly selected and 413 volunteered. All teachers were asked to fill out a standard questionnaire. Next, a complete laryngeal exam was performed including a general ear, nose, and throat evaluation and videolaryngostroboscopy. The prevalence of voice disorders among teaching staff was 57%. The most prevalent lesions were vocal overstrain (18%), nodular lesions (14%), and hyperfunctional dysphonia (8%). The incidence rate was 3.87 new cases per year per 1000 teachers. Women had organic lesions three times more than men (odds ratio [OR]: 3.52, confidence interval [CI]: 2.04-6.09). However, men had chronic laryngitis three times more than women (OR: 2.93, CI: 1.50-5.71) and functional dysphonia nearly twice more than women (OR: 1.81, CI: 1.21-2.69). We find a significant risk of suffering voice disorders in teachers who smoke daily (OR: 2.31, CI: 1.58-3.37) and who drink several cups of coffee or tea (OR: 1.87, CI: 1.36-2.56). It is advisable to carry out an annual evaluation of all teaching staff on account of the high prevalence of voice disorders among them.     

Superbase‐catalyzed domino 3H‐pyrroles synthesis from ketoximes and acetylene: DFT study vs experiment

Elimination of vinyl alcohol from 5‐vinyloxypyrrolines in the presence of superbases (final step of domino 3H‐pyrroles synthesis from ketoximes and acetylene) is studied computationally at different levels of theory in DMSO solution (PCM). The sequences of transformations starting from nucleophilic addition of hydroxide ion to carbon‐carbon or carbon‐nitrogen double bonds are proposed as possible mechanisms. Unusual reactivity of 2,5‐dimethylphenyl substituted 5‐vinyloxypyrroline is explained within these mechanisms.     

初中化学青年教师常态课教学课例研究* ——基于弗兰德斯互动分析系统

弗兰德斯互动分析系统可以量化课堂教学中的语言行为。以初中化学一节常态课为研究课例,基于弗兰德斯互动分析系统,结合教师他评和自评,从教学目标、教学内容、教学过程和教学效果等4方面进行了全面的分析与评价,并根据评价结果,针对教学目标制订、有效提问、科学的课堂语言结构的营造以及实验探究的实施等提出了可行性的有效策略,从而为青年教师通过教学实践来促进个人专业发展提供依据。     

Duration of long-term care: Socio-economic factors,type of care interactions and evolution

The time spent in dependence and the type of care an elderly receives are the two main cost drivers of long-term care (LTC). We aim to provide a better understanding of the duration of care by using a comprehensive social insurance dataset covering the LTC needs in Switzerland over a 20-years-period and including 230 000 observations on dependent elderly. First, using the framework of survival analysis, we calculate Kaplan–Meier estimates for the care duration and derive the main explaining factors through econometric models when care is received at home and in an institution. Retaining only significant covariates, the final accelerated failure time models allow us to predict the duration for different profiles of elderly along their age, gender, region of residence, type of household composition, acuity level and pre-retirement income. Second, we study the interaction of care durations when care is provided at home and in an institution. While our data supports that for short at-home care durations the time spent in institutional care is reduced, we find that both types of care are non-substitutes when the time spent at home has been longer. Under the latter regime, the time spent in institutional care remains at a constant level. Finally, given the longevity improvements over the period of observation, we analyze the impact of living longer on the time spent in dependence. Our results show that while the mean age at entry in dependence grows, the overall care duration does not significantly change. Given the expected increasing number of elderly in most developed countries, our study is relevant for government planning, budgeting social insurance schemes, estimating personal savings needs and calculating private insurance premiums.     

On the use of edge cracked short bend beam specimen for PMMA fracture toughness testing under mixed-mode I/II

In this paper an inclined edge cracked short beam specimen subjected to symmetric three-point bend loading was designed and examined for conducting mixed-mode I/II fracture toughness experiments. The aspect ratio (i.e. length to width ratio) and the loading span distance are considered much lower than the other conventional cracked bend beam samples. Crack tip parameters such as stress intensity factors and T-stress were computed numerically for this specimen by several finite element analyses and it was demonstrated that the specimen is able to produce full combinations of mode I and II including pure mode II. The practical capability of the short bend beam specimen was studied experimentally by conducting a set of mixed-mode fracture tests on PolymethylMethacrylate (PMMA) as a well-known model brittle material. The critical stress intensity factors, the direction of fracture kinking and the path of fracture trajectory were investigated both experimentally and theoretically using two stress and strain-based fracture criteria. The fracture toughness of tested PMMA was decreased by moving towards mode II case due to the effect of T-stress on the fracture mechanism of the short bend beam specimen.     

Quantification of fenoprofen in human plasma using UHPLC–tandem mass spectrometry for pharmacokinetic study in healthy subjects

A rapid, simple and sensitive ultra-performance liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS) method has been developed to quantify fenoprofen, a nonsteroidal anti-inflammatory drug in human plasma for a pharmacokinetic study in healthy subjects. Owing to high levels of protein binding, protein precipitation followed by solid-phase extraction was employed for the extraction of fenoprofen and fenoprofen-d3 (used as internal standard) from 200 μL human plasma. Separation was performed on a BEH C₁₈ (50 × 2.1 mm, 1.7 μm) column using methanol−0.2% acetic acid in water (75:25, v/v) under isocratic elution. Electrospray ionization was operated in the negative mode for sample ionization. Ion transitions used for quantification in the selected reaction monitoring mode were m/z 241/197 and m/z 244/200 for fenoprofen and fenoprofen-d3, respectively. Under the optimized conditions, fenoprofen showed excellent linearity in the concentration range 0.02–20 μg/mL (r² ≥ 0.9996), adequate sensitivity, favorable accuracy (96.4–103.7%) and precision (percentage coefficient of variation ≤4.3) with negligible matrix effect. The validated method was successfully applied to a pharmacokinetic study of fenoprofen in healthy subjects. The significant features of the method include higher sensitivity, small plasma volume for processing and a short analysis time.     

Synthesis,crystal structure and conformational analysis of an unexpected [1,5]dithiocine product of aminopyridine and thiovanillin

The condensation reaction of 2‐mercapto‐3‐methoxybenzaldehyde with 3‐aminopyridine afforded an unexpected N‐alkylated [1,5]dithiocine instead of the N‐salicylideneaniline. The proposed mechanism for this condensation involves a strong intramolecular hydrogen bond between the thiol and the amine groups, leading to a second condensation. The corresponding product, i.e. 4,10‐dimethoxy‐13‐(pyridin‐3‐yl)‐6H,12H‐6,12‐epiminodibenzo[b,f][1,5]dithiocine methanol 0.463‐solvate, C₂₁H₁₈N₂O₂S₂·0.463CH₃OH, was characterized by single‐crystal X‐ray diffraction analysis. The supramolecular structure shows π–π stacking and S…S interactions in the crystal packing. Within the asymmetric unit, two geometries of the N atom are observed. Although a planar geometry should be expected, a pyramidal one is observed due to the crystal packing. The presence of the two geometries was further supported by density functional theory (DFT) calculations that show an electronic energy difference of less than 2 kJ mol^?1 between the two conformers.