计算化学在正丁醚制备实验教学中的应用*

正丁醚的制备是重要的大学有机化学实验,为提高学生对该实验所涉及的反应机理和关键操作要点的深入了解,采用Gaussian计算软件对正丁醇在酸催化下和无催化剂下的反应体系进行了研究,重点考察了酸催化下反应的主、副反应方向的反应机理。结果表明无催化剂下,正丁醇在常压液相下几乎不能发生反应;在酸催化下,正丁醇发生取代反应生成醚的反应路径是优势反应通道;酸催化下正丁醇的取代和消除反应速率常数均随温度增加而迅速增大,但消除反应的反应速率随温度增加更快,温度超过420 K消除反应将变得很明显,综合考虑,制备正丁醚的反应温度应控制在130~140 ℃之间较为合适。利用计算化学以图、表和动图等形式直观、动态、量化地解释了正丁醇成醚和成烯反应的竞争,该结果有助于更好地控制该反应体系,可用作实验教材的补充内容。     

Optical constants of organic insulators in the UV range extracted from reflection electron energy loss spectra

Reflection electron energy loss spectroscopy (REELS) spectra were measured for seven insulating organic compounds (DNA, Irganox 1010, Kapton, polyethylene [PE], poly(methyl methacrylate) [PMMA], polystyrene [PS] and polytetrafluoroethylene [PTFE]). Optical constants and energy band gaps were extracted from the measured REELS spectra after elimination of multiple electron scattering via a deconvolution and fitting the normalised single scattering energy loss spectra to Drude and Drude–Lindhard model dielectric functions, constrained by the Kramers–Kronig sum and f-sum rules. Satisfactory agreement is found for those optical constants for which literature data exists. For PTFE, the observed features in the optical data correspond to its electronic structure.     

基于创新能力培养的化学专业本科实验教学新体系的构建与实践

课程体系是人才培养的载体。为了更好地培养拔尖创新人才,南京大学化学国家级实验教学示范中心依据化学学科的特点和发展趋势,以科学内容的内在联系和研究规律为主线构建了“化学实验基础?化学合成与表征+化学原理与测量?化学功能分子实验+化学生物学综合实验+基于项目的研究实验”实验课程新体系,按照一流课程建设要求(高阶性、创新性和挑战度)对实验教学内容进行了优化,并建立起与之相适应的实验教学平台。新课程体系综合考虑了化学一级学科的整体性和关联学科的交叉性,在南京大学化学化工学院“拔尖计划”和“强基计划”学生中实施,教学效果显著。     

大学生化学竞赛对实验教学改革与创新人才培养的促进作用*

大学生的化学竞赛是课内实验教学的有效延伸,也是从学生视角对实验教学效果的有效检验。通过分析和比较学生参加化学实验竞赛的过程和效果,能有效促进化学实验教学改革、课程建设及创新人才的培养。近年来吉林大学化学学院学生实验竞赛的成绩显著提高,一方面通过化学竞赛激发本科生喜爱化学和开展化学研究的热情,增加学习的主观能动性;另一方面通过竞赛发现问题,在解决问题的过程中促进实验教学改革和课程建设,学院“三阶段”模式的竞赛活动开展,更加有利于培养学生的创新意识和创新能力,促进了化学创新人才的培养。     

农林院校校外实验教学基地分类考评机制及考评指标改革研究——大学化学校外实践基地实证分析*

针对大学化学校外实践教学基地建设和运行过程中的基地与高校的协同管理机制,实践教学基地软硬条件建设和资源配置及实践教学与理论学习的连贯性等问题,在OBE理论指导下,探究分类考核机制,在实证中构建分层次考评模型及考评指标,并建立适合于农林高校的化学校外实践教学基地的分类考评指标体系。     

美国《科学教师培养标准(2020年版)》述评*

美国《科学教师培养标准(2020年版)》针对《新一代科学教育标准》的推行而修订,立足于科学教育最新研究成果,尤其突出学科内容知识的重要性,补充对科学本质和科学文化的要求,强化对工程和技术、交叉概念、学科观念的理解,突出学习进阶规律在科学教师培养中的应用。此外,在学科教学法、学习环境、安全、对学生学习的影响等维度做出相应的改动。该标准启示我国:借鉴国际改革趋势出台中国特色的科学教师培养标准,但科学教师培养也要本土化;学科内容知识对科学教师专业发展非常重要;科学教师的培养应立足于学习进阶的规律;职前科学教师培养需要注重学习环境建设。     

Effect of training level and blood flow restriction on thermal parameters: Preliminary study

Training with blood flow restriction could lead to an effect on skin temperature. Additionally, this effect could be higher in people with lower physical fitness level due to their lower capacity of heat loss. The aim of this preliminary study was therefore to evaluate the effects of training experience on the acute and chronic thermal skin responses after performing exercise with and without blood flow restriction. The study included ten men, of these, five were trained. All subjects performed tests and re-tests for maximum strength (1 repetition maximum) through unilateral leg extensions (right thigh at 45 ± 6.7 kg and left thigh at 45.5 ± 8.1 kg, p > 0.05). The protocol consisted of four sets to concentric failure, with one-minute rest intervals between sets at an intensity corresponding to 40% of 1 RM. There were 7-day intervals between experimental sessions (150 mmHg versus unrestricted flow restriction). The thermal images were made before the protocol (pre), immediately after the end of the series (post), and 24 h afterward (post 24 h). When comparing temperature variation (Δ exercise and Δ 24 h) between groups, it was observed that the trained participants showed a greater drop in temperature 24 h after exercise with 150 mmHg restriction (confidence interval: 95% of Δ 24 h [−0.2 to −0.9 °C]) compared to untrained subjects (p = 0.006 and ES > 1.5, confidence interval: 95% Δ 24 h [−0.1 to 0.6 °C].) In conclusion, this preliminary study showed that training experience interferes with the chronic cutaneous thermal temperature of the anterior thigh when strength training associated with blood flow restriction 150 mmHg was performed.     

Geometric analysis of anharmonic downward distortion following paths

A mathematical aspect of the anharmonic downward distortion following (ADDF) path is discussed. The ADDF method is utilized as an automated reaction path search method, which can explore transition state geometries on a potential energy surface from a potential minimum. We show that the maximum number of the ADD stationary paths intersecting the potential minimum is 2^{f + 1} ? 2 , where f denotes the degree of freedom of the system. We also show that the bifurcation of the ADD stationary path is essential to detect all the transition states connected from a given minimum. The ADDF computation is demonstrated for a H₂O molecule in which pitchfork bifurcation is observed.     

Optimized IR synchrotron beamline design

Synchrotron infrared beamlines are powerful tools on which to perform spectroscopy on microscopic length scales but require working with large bending‐magnet source apertures in order to provide intense photon beams to the experiments. Many infrared beamlines use a single toroidal‐shaped mirror to focus the source emission which generates, for large apertures, beams with significant geometrical aberrations resulting from the shape of the source and the beamline optics. In this paper, an optical layout optimized for synchrotron infrared beamlines, that removes almost totally the geometrical aberrations of the source, is presented and analyzed. This layout is already operational on the IR beamline of the Brazilian synchrotron. An infrared beamline design based on a SOLEIL bending‐magnet source is given as an example, which could be useful for future IR beamline improvements at this facility.