不同知识引出方法对科学概念结构表征的影响——来自多维标度法的证据

不同知识引出方式对获得的群体概念结构的影响,是概念结构研究中重要且未解决的问题。以17名中学化学教师为被试,通过自由分类、概念构图和语义相关性评定,引出被试对15个与原子相关概念的认识,并以多维标度法分析群体概念结构。研究发现:由不同知识引出方式获得的群体概念结构具有不同的特点,通过语义相关性评定获得的群体概念结构更适合呈现科学概念具有复杂关系的特点。研究结果有助于研究者选择合适的研究方法,实施更有效的群体概念结构研究。     

绿色氧化法制备联苯类化合物的研究性实验设计与实践*

以苯甲醛和丙酮为原料,利用Robinson增环反应先制备3-甲基-5-苯基环己-2-烯-1-酮,再引导学生设计并研究了水相绿色氧化3-甲基-5-苯基环己-2-烯-1-酮合成联苯类化合物3-乙氧基-5-甲基-1,1′-联苯的影响因素,利用核磁共振确定了产物结构。该研究性实验教学以绿色化学为中心,结合了2步连续反应,产物易提纯且产率高,并开展了开放式大型分析仪器教学和测试,对学生有机合成实验能力和科学研究能力的培养具有很好的教学效果。     

中性或弱酸性体系下锌基水系电池负极材料研究进展

锌具有原料丰富、质量轻便、金属导电性与延展性好以及理论比容量高等优势,可以作为绿色可充电电池的理想电极材料。其中,以中性或弱酸性水溶液为电解质、锌为负极的锌基水系电池具有安全性高、电池材料廉价无毒、制备工艺简单、环境友好等特点,在储能和动力电池领域具有极高的应用价值和发展前景。但电池充放电过程中伴随的锌枝晶、析氢、腐蚀、钝化等问题限制了其实际应用。本文综述了锌基水系电池负极存在的问题及当前的解决策略,并对其负极研究发展方向进行了展望。     

基于核酸的纸基荧光生物传感器的设计及应用

纸基生物传感器由于其具有成本低、操作方便、生物可降解、识别元件用量低等优点,近年来受到了广泛的关注。其中,以功能核酸作为识别元件的纸基荧光生物传感器具有较高的灵敏度、瞬时响应以及实时检测等特性,在便携式传感设备方面展现出巨大的潜力。此外,将核酸作为识别元件的纸基无细胞蛋白合成平台,通过条件合成的报告荧光蛋白可实现对病毒、重金属等目标物的特异性检测,具有良好的应用前景。首先,本文介绍了基于核酸的纸基荧光生物传感器的设计,特别是基于核酸的识别元件与纸基材料的结合方式。其次,总结了基于核酸的纸基荧光生物传感器在临床诊断、食品安全检测、环境污染物检测等不同领域的最新研究进展,讨论了其优势与局限性。最后,探讨了基于核酸的纸基荧光生物传感器的发展方向与应用前景,以期为相关领域的研究提供参考。     

接枝改性PVDF基含氟聚合物

聚偏氟乙烯(PVDF基)含氟聚合物由于其独特的性能受到了广泛的关注。将功能化链段引入PVDF基含氟聚合物可以进一步提升其性能并拓展其应用领域。相较于物理共混法和直接共聚改性法,通过接枝改性法将功能化单体引入含氟聚合物的侧链具有更显著的优势,可便捷、高效地得到组成精确,结构可控的接枝共聚物。本文综述了通过活性自由基聚合(包括ATRP、SET-LRP、有机催化原子转移自由基聚合(O-ATRP)、光诱导Cu(Ⅱ)介导RDRP)和高能射线辐射(γ射线,紫外,电子束)等对PVDF基含氟聚合物功能化接枝改性的方法,并对其发展趋势以及改性聚合物的应用前景进行了展望。     

ANiN(A = Li,Na, Mg,Ca)的结构、热力学、弹性和电子性质的第一性原理研究

三元过渡金属氮化物ANiN (A = Li, Na, Mg, Ca)是潜在的可充放电池的电极材料。物理性质,比如热稳定性、电子能隙以及弹性稳定性等,对于这些材料的电池应用都是非常重要的。本文使用第一原理方法,对比研究了ANiN这些材料的结构、动力学、弹性和电子结构性质。对状态方程和声子谱的计算被用来确定体系的稳定结构。对最稳定结构的弹性常数的计算表明,这些稳定结构都满足 Born-Huang的稳定性判据,意味着它们的弹性稳定性。对体系电子结构的计算表明,LiNiN和CaNiN是半金属（half-metals）,MgNiN是磁性材料,而NaNiN是通常的金属。这些材料的磁学性质都通过Stoner理论进行了解释。最后,电荷密度的计算被用来很好地说明了这些材料中的Ni-N成键的特征,表明成键特点主要是离子性的,但明显地混合了共价性。     

Interface formation of Al2O3 on n‐GaN(0001): Photoelectron spectroscopy studies

Al₂O₃ insulator layers were deposited step by step by the physical vapor deposition (PVD) method onto gallium nitride in the wurtzite form, n‐type and (0001)‐oriented. The substrate surface and the early stages of Al₂O₃/n‐GaN(0001) interface formation were characterized in situ under ultra‐high vacuum conditions by X‐ray and ultraviolet photoelectron spectroscopy (XPS, UPS). The electron affinity (EA) of the substrate cleaned by annealing was 3.6 eV. Binding energies of the Al 2p (76.0 eV) and the O 1s (532.9 eV) confirmed the creation of the Al₂O₃ compound in the deposited film for which the EA was 1.6 eV. The Al₂O₃ film was found to be amorphous with a bandgap of 6.9 eV determined from the O 1s loss feature. As a result, the calculated Al₂O₃/n‐GaN(0001) valence band offset (VBO) is ?1.3 eV and the corresponding conduction band offset (CBO) 2.2 eV.     

Dielectrophoretic ultra-high-frequency characterization and in silico sorting on uptake of rare earth elements by Cupriavidus necator

Rare earth elements (REEs) are widely used across different industries due to their exceptional magnetic and electrical properties. In this work, Cupriavidus necator is characterized using dielectrophoretic ultra-high-frequency measurements, typically in MHz range to quantify the properties of cytoplasm in C. necator for its metal uptake/bioaccumulation capacity. Cupriavidus necator, a Gram-negative bacteria strain is exposed to REEs like europium, samarium, and neodymium in this study. Dielectrophoretic crossover frequency experiments were performed on the native C. necator species pre- and post-exposure to the REEs at MHz frequency range. The net conductivity of native C. necator, Cupriavidus europium, Cupriavidus samarium, and Cupriavidus neodymium are 15.95 ± 0.029 μS/cm, 16.15 ± 0.028 μS/cm, 16.05 ± 0.029 μS/cm, 15.61 ± 0.005 μS/cm respectively. The estimated properties of the membrane published by our group are used to develop a microfluidic sorter by modeling and simulation to separate REE absorbed C. necator from the unabsorbed native C. necator species using COMSOL Multiphysics commercial software package v5.5.     

ZnII and CdII Metal Organic Frameworks Based on 2-Methyl-6-oxygen-1,6-dihydro-3,4'bipyridine-5-carbonitrile

To investigate the coordination chemistry of modbc (2-methyl-6-oxygen-1,6-dihydro-3,4'-bipyridine-5-carbonitrile) with Zn^II and Cd^II salts under the solvothermal conditions, six new MOFs with the formulas [Zn(modbc)₂(mpa)]_n ( 1 ), [Zn(modbc)(mpa)(H₂O)]_n ( 2 ), [Zn(modbc)(pa)_0.5(H₂O)]_n ( 3 ), [Cd(modbc)(pa)_0.5(H₂O)]_n ( 4 ), [Zn(modbc)₂(tpa)]_n ( 5 ), and [Cd(modbc)₂(pda)(H₂O)]_n ( 6 ) (mpa = m-phthalic acid; pa = pyromellitic acid; tpa = terephthalic acid; pda = pentane diacid) were successfully synthesized by solvothermal reaction and fully characterized by elemental analysis, IR spectroscopy, single crystal, powder X-ray diffraction, thermal and photoluminescence properties. Though MOFs 3 and 4 have the same structure, we have obtained three different kinds of coordination configurations by the X-ray diffration analysis. Compared with 1 and 2 , coordination water has no effect on the solid fluorescence emission of MOFs. It is worth noting that the fluorescence intensity of 3 containing central Zn^II atoms is very strong, whereas that of isomorphism 4 containing central Cd^II atoms has almost no fluorescence emission, showing that metal ions have very important influence on the fluorescence emission. Further, we found that solvents had an important effect on the fluorescence emission in liquid fluorescence of MOFs 1 – 6 .     

Revelation of ESIPT mechanism for the novel fluorescent system HNIBT in toluene and methanol solvents: A TDDFT study

In this work, we devote to explore excited‐state intramolecular proton transfer (ESIPT) behavior for a novel fluorescent molecule naphthalimide‐based 2‐(2‐hydroxyphenyl)‐benzothiazole (HNIBT) [New J. Chem. 2019, 43, 9152.] in toluene and methanol (MeOH) solvents. Exploring weak interactions, stable HNIBT‐enol, and HNIBT‐MeOH‐enol complex can be found in S₀ state via TDDFT/B3LYP/6‐311+G(d,p) level. Given photoexcitation, intramolecular hydrogen bond O1? H2···N3 of HNIBT‐enol and HNIBT‐MeOH‐enol is dramatically enhanced, which offers impetus for facilitates ESIPT reaction. After repeated comparisons, we verify the unavailability of intermolecular hydrogen bonding effects between HNIBT‐enol and MeOH molecules. In view of excitation, HOMO (π) → LUMO (π*) transition and the changes of electronical densities indeed impulse ESIPT tendency. Via constructing potential energy curves (PECs), for both HNIBT‐enol and HNIBT‐MeOH‐enol complex, the ESIPT could only occur along with intramolecular hydrogen bond O1? H2···N3. Through comparison, the potential barrier falls from 4.124 kcal/mol (HNIBT‐enol) to 2.132 kcal/mol (HNIBT‐MeOH‐enol). Therefore, we confirm that the ESIPT of the HNIBT system happens more easily in the MeOH solvent compared with the toluene solvent.