Visual recognition of melamine in milk via selective metallo-hydrogel formation

A novel protocol allowing convenient and highly selective visual recognition of melamine in raw milk via selective metallo-hydrogel formation at a concentration as low as 10 ppm without any tedious pretreatment has been developed.     

COMPUTER SIMULATION OF A SINGLE POLYMER CHAIN IN DIFFERENT SOLVENTS

In the present paper, the behavior of a single polymer chain under various solvent conditions was modeled by self-avoiding walks (SAW) with nearest neighbors attraction Δε on a simple cubic lattice. Determination of the θ-condition wasbased on the numerical results of the mean square radius of gyration and end-to-end distance. It was found that at the θtemperatue Δε/kT equals -0.27. The exponents a in the Mark-Houwink equation with different interaction parameters areconsistent with the results of experiments: under θ-condition, a = 0.5, and for a good solvent α= 0.74-0.84, respectively.     

金属－助剂相互作用对SiO_2载铑催化剂化学吸附的影响──Ⅱ．Rh－V／SiO_2催化剂

由ＲｈＣｌ_３·ｘＨ_２Ｏ制备了不同Ｒｈ含量的Ｒｈ／ＳｉＯ_２和Ｒｈ－Ｖ／ＳｉＯ_２催化剂，采用化学吸附和原位ＴＰＤ－ＩＲ方法考察钒助剂对Ｒｈ／ＳｉＯ_２催化剂在常温和高温的Ｈ_２和ＣＯ化学吸附的影响。结果再次表明：１）不同Ｒｈ中心对Ｈ_２和ＣＯ的化学吸附性能不同，钒助剂对不同Ｒｈ中心的Ｈ_２和ＣＯ吸附的影响也不同。Ｈ_２主要吸附在Ｒｈ~Ⅱ和Ｒｈ~Ⅲ中心上，而在Ｒｈ~Ⅰ中心上的吸附弱。２）Ｒｈ－钒助剂的强相互作用主要是Ｒｈ~Ⅱ和Ｒｈ~Ⅲ与钒助剂之间的相互作用，Ｈ_２吸附受到比ＣＯ吸附更强烈的抑制。钒助剂对Ｒｈ／ＳｉＯ_２的Ｈ_２和ＣＯ吸附性能的影响可用覆盖模型解释。     

AN INVESTIGATION ON THE ab initio CALCULATION OF INTERMOLECULAR INTERACTION——NON-BONDED INTERACTION IN THE HYDROGEN BOND COMPLEX (HF)_2

An ab initio calculation of the hydrogen bond complex (HF)_2 is given with the 6-311 G~(**) basis set, according to which the potential surface around the balance point of the distancès and the orientations between two HF molecules is obtained. The atomic charges in the system are calculated with the PD/LSF method (potential-derived/least-square-fitting method) and then an analysis of the hydrogen bond interaction between two HF molecules is given with the (exp-6-1) potential function, by means of which it is shown that the main interaction between them is not an electro-static but a charge transfer one. The potential curve between two HF molecules is like a Morse function.     

A multi-color and white-light emissive cucurbituril/ terpyridine/ lanthanide supramolecular nanofiber

The enhanced lanthanide white-emission in solid by cucurbituril-based supramolecular assembly may provide a new strategy for smart light-emitting materials.     

Synthesis and supramolecular properties of trimethylene-bridged clips

The novel trimethylene-bridged clips 3 and 4 have been synthesized by using repetitive stereoselective Diels-Alder reactions of the benzo- and naphthobismethylenenorbornenes 8 and 19 as dienes and norbornadiene 9 as bisdienophile, and subsequent dehydrogenation of the primary cyclobisadducts 10 and 20 by using 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). Clips 3 and 4 serve as receptors for a variety of electron-deficient neutral and cationic aromatic substrates, comparable to the molecular tweezers 1 and 2. The thermodynamic parameters of the complex formation, K(a) and DeltaG, were determined by (1)H NMR titration experiments and, in the case of the highly stable complex TCNB 32@4, by the use of isothermal titration microcalorimetry. The finding that clip 4 forms more stable complexes than 3 can be explained by the larger van der Waals contact surfaces of the naphthalene sidewalls in 4 compared to the corresponding benzene systems in 3. In the complexes with 4 as receptor, the plane of each aromatic substrate molecule is calculated to be oriented almost parallel to the naphthalene sidewalls. However, in the complexes of tweezers 2, the substrate is usually oriented parallel to the central naphthalene spacer unit. Due to the more open topology of 4, most complexes were calculated to consist of two or more equilibrating noncovalent conformers.     

The use of chiral interaction reagents in the separation of D(−)-and L(+)-ascorbic acid by ion interaction reversed-phase HPLC

Summary An HPLC reversed-phase ion interaction reagent method is presented, which makes use of chiral compounds as the interaction reagents. By employing the optical isomeric forms of malic, tartaric and mandelic acids as the interaction reagents, a good separation of D(−) and L(+) ascorbic acid has been achieved. The method has also been applied to the identification of vitamin C in some medical formulations. The separation of te enantiomeric forms of DL malic acid has been attempted and a shor discussion is presented about the elution sequence in chromatographic separation of D- and L-enantiomers.     

担体对Fe—MnO催化剂CO＋H2反应性能的影响

考察氧化物担体对Fe-MnO催化剂反应性能影响的结果表明,担体的类型对Fe-MnO催化剂CO加氢反应性能影响很大,其低碳烯烃选择性相差悬殊,Al_2O_3、SiO_2和MgO担载的Fe-MnO催化剂都不利于低碳烯烃的生成,而TiO_2担载的Fe-MnO催化剂则具有较高的烯烃选择性和催化活性。从担体-金属相互作用本质的差异,研究了担体对金属活性组分化学状态的影响及催化活性相与F-T合成烯烃的关系,发现担体-金属间的电子效应有利于催化剂活性和选择性的提高,其它物理化学效应引起的相互作用则不利于改善催化剂性能;还表明Fe_(?)C是催化活性相,Fe~(2+)物种的存在不利于提高烯烃的选择性。     

Ion interaction approach to calculations of volumetric properties of aqueous multiple-solute electrolyte solutions

The ion interaction approach developed by Pitzer was used for the prediction of volumetric properties of mixed electrolyte solutions at 25°C based on parameters calculated from experimental data for single-solute electrolyte solutions. Such an approach was shown to be especially effective for application to the calculation of volumetric properties of natural hypersaline brines and of industrial electrolyte solutions of large complexity. The use of the latest recommended sets of volumetric ion interaction parameters for single electrolyte solutions and symmetrical mixing parameters for Na–K–Cl ion combinations considerably improved the precision of the density calculations of highly concentrated mixed electrolyte solutions and of various natural waters.