A Kinetic Aspect of the Thermal Dehydration of Dilithium Tetraborate Trihydrate

The reaction process of the thermal dehydration of dilithium tetraborate trihydrate, Li₂B₄O₇3H₂O, was reinvestigated from a viewpoint of reaction kinetics. On the basis of the results of thermogravimetry, constant rate thermal analysis, powder X-ray diffractometry, infrared spectroscopy and scanning electron microscopy, it was confirmed that the reaction proceeds via three consecutive kinetic steps characterized by different activation energies. The first and second kinetic steps, accompanied by the destruction of the original crystal structure of the reactant, seem to be assigned to the surface and internal reactions, respectively. During the third kinetic step, the thermal dehydration of hydrated amorphous intermediate, produced at the second kinetic step, and crystallization of the final dehydration product, Li₂B₄O₇, are likely to take place concurrently.This revised version was published online in November 2005 with corrections to the Cover Date.     

Inclusion of α-phenyl-N-p-methylphenyl Nitrone in β- Cyclodextrin: Formation of 1G : 1H and 1G : 2H Complexes and the Remarkably Fast 1,3-Dipolar Cycloaddition of the 1G : 2H Complex with Olefins in the Solid State

The nitrone is found to be included in the -cyclodextrin cavity in two different stoichiometries viz., 1G : 1H and 1G : 2H – the existence of which is proved by physical methods. The 1G : 2H complex of the nitrone serves as a good potent dipolarophile in the 1,3-dipolar cycloaddition reactions with olefins resulting in rate acceleration and regioselection.     

Recent progress in nanomaterial-enhanced fluorescence polarization/anisotropy sensors

In this review, we summarize the number of scientific publications in the field of FP/FA sensor in recent five years, and introduce the recent progress of FP/FA sensor based on nanomaterial. The various analytical applications of FP/FA sensor based on nanomaterial are discussed. We also provide perspectives on the current challenges and future prospects in the promising field.     

Cu-Ce/γ-Al2O3对硬脂酸催化水热脱氧产生烷烃的效果

利用等体积浸渍法制备Cu-Ce/γ-Al₂O₃催化剂，并在无H₂存在的条件下对硬脂酸进行催化水热液化。对催化剂进行BET比表面积分析和X射线衍射（XRD）分析可知，Cu-Ce/γ-Al₂O₃催化剂中存在CuO和CeO₂两种晶型，在300℃条件下水热反应12 h后具有更好的热稳定性。通过对硬脂酸进行水热液化实验和对生物油进行气相色谱-质谱（GC-MS）分析发现，加入Cu-Ce/γ-Al₂O₃催化剂能够获得最高的硬脂酸转化率（94.71%）和总烃产率（81.41%），水热液化脱氧效果最好。分析正烷烃的产率，结果发现硬脂酸在高温水热条件下主要发生脱羧反应。Cu-Ce/γ-Al₂O₃催化剂的加入能够同时促进反应过程中脱羧反应、加氢脱氧反应和裂化反应。此外，Cu-Ce/γ-Al₂O₃还能够促进羰基基团的脱除，有效减少产物中的醛和酮类物质。     

蒙脱石-石墨-聚氯乙烯复合电极测定制药废水中苯酚

报道了当制药废水PH8．0时，用蒙脱石－石墨－聚氯乙烯复合电极可以直接测定苯酚的含量而不受水杨酸存在的干扰，苯酚浓度在1．0μg/mL-25.0μg/mL范围内峰电流与浓度有良好的线性关系，I＝1．262c-0.046，相关系数r=0.998，检出限为0．1μg/mL，用该方法测定模拟制药废水中苯酚，其平均回收率为101．7％。     

Band structure of even and ions of odd polyenes

The analysis of experimental data for singlet transitions (E _n) of even polyenes (I), cations (II) and anions (III) of odd polyenes show that for infinite chains E (I)/E (II)=E (I)/E (III) = 2:1. It is shown that the energy gap is equal for the three systems. In cases (II) and (III) there is a level (NBMO) in the gap which is vacant in (II) and occupied in (III). That is why the first optical transition in (II) and (III) depends on the semiwidth of the gap.     

Ma?analyse und Katalyse

Zusammenfassung Einige neue Beispiele zu der bereits früher beschriebenen biamperometrischen Endpunksindikation unter Verwendung von katalysierten Reaktionen werden mitgeteilt; dabei wird auch eine Mikro-Variante diskutiert. Eine Gruppe von Titrationen mit Chemoluminescenzendpunkt stellt gleichfalls eine Anwendung des Prinzips der katalytischen Endpunktsindikation dar. Zu diesem an sich bereits bekannten Verfahren werden Beispiele beschrieben, bei welchen die am Endpunkt der Titration auftretende Chemoluminescenz mit Hilfe eines in die Lösung eintauchenden glasumhüllten Photoelements beobachtet wird.Teil VIII: H. Weisz, S. Pantel und H. Ludwig: diese Z. 262, 269 (1972).     

On the mathematical formulation and interpretation of LACO MO theory

The mathematical basis of LCAO MO theory is studied, both within the Hartree-Fock approximation and in more exact formulations. The basic LCAO expansion for molecular orbitals ¦> in terms of atomic orbitals ¦x> is conveniently written ¦> = ¦x> S ^–1 B where S is the overlap matrix for atomic orbitals and B is the matrix of atomic orbital-molecular orbital overlaps. It is suggested that matrices P and Q, defined by P=B B and Q=BnB where n is the matrix of molecular orbital occupation numbers, are appropriate to the interpretation of molecular calculations in terms of atomic orbital components, electronic populations and the degree of bonding. Implications for Hartree-Fock calculations are investigated.     

Numerical comparison of several variable-metric algorithms

The paper compares the numerical performances of the LDL decomposition of the BFGS variable-metric algorithm, the Dennis-Mei dogleg algorithm on the BFGS update, and Davidon's projections with the BFGS update with the straight BFGS update on a number of standard test problems. Numerical results indicate that the standard BFGS algorithm is superior to all of the more complex strategies.This research was supported by the National Science Foundation under Research Grant No. MCS77-07327.