“素养为本”的化学课堂教学*——以“原子晶体”为例

基于“素养为本”视角,以“原子晶体”的教学为例,对教学主题内容、教学现状及学情进行分析;以发展学生化学学科核心素养为主旨确定教学目标;以“微粒-微粒间的相互作用-物质的聚集状态-物质性质”的认识思路为主线,以“模型认知,建构概念-证据推理,归纳性质-微观探析,探究结构-科学史实,揭示价值”的任务型教学流程,达到落实并发展学生化学学科核心素养的目的。     

基于模型认知的“价层电子对互斥理论”学习进阶设计*

遵循学生认知发展的客观规律,以及化学学科核心素养“模型认知”由低到高的水平划分,借助PhET互动仿真模型平台,通过虚拟的分子模型搭建和真实的分子构型对比,将“成键电子”“孤对电子”和“价层电子对”等抽象知识,融入认识模型、理解模型、运用模型和建构模型的递进式学习进阶设计中,在促进学生对互斥行为深度理解的同时,避免了虚拟可视化模型的过度类比可能导致的“相异构想”。     

核心素养视角下“分子和原子”的教学实践与反思

通过对“分子和原子”教学实践的观察和分析,探讨了核心素养视角下化学概念教学的方法和策略。讨论认为,化学概念的诠释与演绎要基于学生的认知能力,要遵循“抽象→具象→抽象”的建构历程,而多维、深刻的参与性则有助于概念的高质量建构。     

基于思维模型建构的“物质检验”初中复习教学研究

以让学生自主建构物质检验的思维模型为目标设计教学,通过完成物质检验的探究任务,学生自主建构思维模型,形成完整的思路,从而提高解决此类问题的能力。并在北京某中学初三年级进行教学实践,对教学实施效果进行了检验,根据教学实践总结出建构“物质检验”思维模型教学的有效教学策略：基于建模历程与生活情境选择素材;以学生为中心自主建构“物质检验”思维模型,引导学生经历多样化的思维发展过程;学生经历不同层级进阶的模型建构历程。     

高中生“芳香烃”心智模型的测评及其教学启示*

采用二阶式纸笔测验以及半结构化访谈法对高中生持有的“芳香烃”心智模型进行测评,并重点分析了学生建构的与“芳香烃和苯的同系物的概念”“芳香烃的结构”“苯及其同系物的化学性质”等概念群相关的缺陷模型。研究发现学生建构的有关“芳香烃”缺陷模型包括3大类共计11种;学生对有机物空间结构的想象力和建构能力较为薄弱;学生对“有机化合物结构内基团之间相互作用对其化学性质的影响”认识不足,“性质结构”模型不完善;学生建构的有机化学的心智模型尚不具备整体性。     

以“位构性”模型建构和学科能力发展的必修“原子结构 元素周期律”教学设计和实践*

在高中必修阶段“原子结构 元素周期律”主题已有研究的基础上,将“位构性”系统模型与学科能力活动任务相结合,提出了本研究的理论框架,进行了单元整体的教学设计并实施。通过预设学生的表现水平,设计各课时的评价任务,过程性地诊断学生在各个课时中“位构性”模型建构与学科能力的发展水平,描述学生在本章学习过程中的发展变化,促进了学生“证据推理与模型认知”等核心素养的发展。最后,归纳出以“位构性”模型建构和学科能力发展的“原子结构 元素周期律”在教学实践中的有效策略。以期能够对日后开展“原子结构 元素周期律”主题的教学设计与实践能够提供参考和建议。     

创建模型探讨化学概念本质的教学实践——以“饱和溶液”为例

中学化学“饱和溶液”概念的教学中,容易忽视学生已有的前概念,忽视概念建构的过程以及对概念背后本质原理的挖掘,常依托实验来建构概念,导致学生不能充分认识到概念的本质原理。尝试创建模型,采取将模型与实验相结合,用模型解释或预测实验的方式,帮助学生更好地建构并理解“饱和溶液”概念及其本质。     

基于模型建构的“初中化学用语”教学*——从知识传递走向深度学习

通过化学用语认识模型的建构,彰显其教学功能价值,为内隐的“心智模型”与外显的“符号模型”之间建立可能的联系和发展。运用“联想与建构”“迁移与体验”“本质与变化”等教学策略,实现化学用语的教学从内容传递走向深度学习。     

初中化学“分子和原子”的教学逻辑——基于2011-2018年的文献分析

以2011-2018年19篇有关初中化学“分子和原子”的教学研究文献为研究对象,基于教学观念与策略分析归纳出2种主要的教学逻辑:“证据推理型”和“模型认知型”。从“初步建立微粒观”“发展微粒观”“初步形成微粒观”等3个维度对2种教学逻辑进行归纳和评析,结合教学实践提出了一个新的“模型认知型”的教学逻辑。     

“原子结构与元素性质”主题模型建构教学的探索

从2003年起至今,北京师范大学化学教育研究团队围绕“原子结构与元素性质”主题开展了跨越初中、高中必修、高中选择性必修的模型建构教学探索,涉及原子的构成微粒及空间分布、核外电子的运动状态、核外电子的排布规律以及元素性质等不同子主题。在这些教学探索中,梳理和还原了科学家解决问题的过程,对科学家所做实验进行再现、模拟,依据科学家在基于实验证据建构原子结构模型时的推理论证过程设计并指导学生开展模型建构活动,使学生理解、评价或参与模型建构的过程,促进学生建模能力和科学本质观的形成与发展。     

(Liquid + liquid) equilibria for (water + 1-propanol + diisopropyl ether + octane,or methylbenzene,or heptane) systems at T = 298.15 K

(Liquid + liquid) equilibria (LLE) data were presented for one ternary system of {water + octane + diisopropyl ether (DIPE)} and three quaternary systems of (water + 1-propanol + DIPE + octane, or methylbenzene, or heptane) at T = 298.15 K and p = 100 kPa. The experimental LLE data were correlated with the modified and extended UNIQUAC models. Distribution coefficients were derived from the experimental LLE data to evaluate the solubility behavior of components in organic and aqueous phases.     

Liquid–Liquid Equilibria of Oxygenate Fuel Additives with Water: Two Quaternary Aqueous Systems of Diisopropyl Ether + 2,2,4-Trimethylpentane with Methyl <Emphasis Type="Italic">tert</Emphasis>-Butyl Ether or Toluene

Experimental tie-line data for two quaternary systems, water + diisopropyl ether + 2,2,4-trimethylpentane + methyl tert-butyl ether or toluene, were investigated at 298.15 K and atmospheric pressure. The experimental liquid–liquid equilibrium data were correlated using a modified UNIQUAC activity coefficient model with ternary and quaternary parameters, in addition to the binary ones. The calculated results were further compared with those obtained with an extended UNIQUAC model from Nagata [Fluid Phase Equilib. 54, 191–206 (1990)].     

Quantum‐based models of charge‐dependent potential energy surfaces: Three‐state models

Quantum‐based models of how potential energies depend on charge are developed from a three‐state model, at the level of neglecting state‐to‐state overlap. The energy as a function of charge is defined as proposed previously (Valone and Atlas, J Chem Phys 2004, 120, 7262). With this definition, addition of a third state smooths the derivatives of the energy model with respect to charge at integer values of charge that are in the interior of the allowed charge range. These derivatives are related to the chemical potential. At the dissociation limit, this model converges to established limits. Another dependence is proposed that uses two different charges simultaneously. The concepts are illustrated, with calculations on an OH molecule. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

An S‐Oxygenated [NiFe] Complex Modelling Sulfenate Intermediates of an O2‐Tolerant Hydrogenase

To understand the molecular details of O₂‐tolerant hydrogen cycling by a soluble NAD⁺‐reducing [NiFe] hydrogenase, we herein present the first bioinspired heterobimetallic S‐oxygenated [NiFe] complex as a structural and vibrational spectroscopic model for the oxygen‐inhibited [NiFe] active site. This compound and its non‐S‐oxygenated congener were fully characterized, and their electronic structures were elucidated in a combined experimental and theoretical study with emphasis on the bridging sulfenato moiety. Based on the vibrational spectroscopic properties of these complexes, we also propose novel strategies for exploring S‐oxygenated intermediates in hydrogenases and similar enzymes.     

The Mechanism of Ligand‐Induced Activation or Inhibition of μ‐ and κ‐Opioid Receptors

G‐protein‐coupled receptors (GPCRs) are important targets for treating severe diseases. However why certain molecules act as activators whereas others, with similar structures, block GPCR activation, is poorly understood since the same molecule can activate one receptor subtype while blocking another closely related receptor. To shed light on these central questions, we used all‐atom, long‐time‐scale molecular dynamics simulations on the κ‐opioid and μ‐opioid receptors (κOR and μOR). We found that water molecules penetrating into the receptor interior mediate the activating versus blocking effects of a particular ligand–receptor interaction. Both the size and the flexibility of the bound ligand regulated water influx into the receptor. The solvent‐accessible inner surface area was found to be a parameter that can help predict the function of the bound ligand.     

Stabilization of an α Helix by β‐Sheet‐Mediated Self‐Assembly of a Macrocyclic Peptide

Protein roll call : Peptide‐based building blocks, in which both an α‐helix‐forming segment and a β‐sheet segment are located within a single macrocyclic structure, self‐assemble into α‐helix‐decorated artificial proteins. This approach provides a starting point for developing artificial proteins that can modulate α‐helix‐mediated interactions occurring in a multivalent fashion.

     

A theoretical structural analysis of the factors that affect 1JNH, 1hJNH and 2hJNN in N–H···N hydrogen‐bonded complexes

Calculations of ¹ J_NH, ^1h J_NH and ^2h J_NN spin–spin coupling constants of 27 complexes presenting N–H·N hydrogen bonds have allowed to analyze these through hydrogen‐bond coupling as a function of the hybridization of both nitrogen atoms and the charge (+1, 0, ? 1) of the complex. The main conclusions are that the hybridization of N atom of the hydrogen bond donor is much more important than that of the hydrogen bond acceptor. Positive and negative charges (cationic and anionic complexes) exert opposite effects while the effect of the transition states ‘proton‐in‐the‐middle’ is considerable. Copyright © 2008 John Wiley & Sons, Ltd.     

1H NMR spectra of ethane‐1,2‐diol and other vicinal diols in benzene: GIAO/DFT shift calculations

The proton NMR spectra of several 1,2‐diols in benzene have been analysed so as to associate each magnetically nonequivalent proton with its chemical shift. The shifts and coupling constants of the OH and methylene protons of ethane‐1,2‐diol have been determined in a wide range of solvents. The conformer distribution and the proton NMR shifts of these 1,2‐diols in benzene have been computed on the basis of density functional theory. The solvent is included using the integral–equation–formalism polarizable continuum model implemented in Gaussian 09. Relative Gibbs energies for all stable conformers are calculated at the Perdew, Burke and Enzerhof (PBE)0/6‐311 + G(d,p) level, and shifts are calculated using the gauge‐including atomic orbital method with the PBE0/6‐311 + G(d,p) geometry but using the cc‐pVTZ basis set. Previous calculations on ethane‐1,2‐diol and propane‐1,2‐diol have been corrected and extended. New calculations on tert‐butylethane‐1,2‐diol, phenylethane‐1,2‐diol, butane‐2,3‐diols (dl and meso) and cyclohexane‐1,2‐diols (cis and trans) are presented. Overall, the computed NMR shifts are in good agreement with experimental values for the OH protons but remain systematically high for CH protons. Some results based on the Gaussian 03 solvation model are included for comparison. Copyright © 2012 John Wiley & Sons, Ltd.