Study of occupational health impact of atmospheric pollution on exposed workers at an iron and steel complex by using neutron activation analysis of scalp hair

The occupational health impact of atmospheric pollution on exposed workers at one iron and steel complex was studied by instrumental neutron activation analysis of workers' hair samples and medical examination. The experimental results indicate that there is a positive correlation between the high inhalation amounts of iron and other trace elements by the exposed workers and the symptom of their high blood pressure and hypoglycemia, which implies that the atmospheric environment polluted by iron and steel industry has an adverse health impact on the exposed workers. The measures to relieve and abate the occupational diseases caused by air-borne particulate matter should be taken     

用红外光谱研究苯乙烯-4(甲基丙烯酸)2,2,6,6-四甲基哌啶醇酯共聚物的序列结构

<正> 苯乙烯(简称St)-4(甲基丙烯酸)2,2,6,6-四甲基哌啶醇酯(简称MTMP)共聚物(简称PDS)是七十年代发展起来的一种新型高效光稳剂。本文用IR研究了一系列自由基聚合的PDS共聚物,找出了MTMP对序列结构敏感的吸收峰,发现MTMP的1152.5厘米~(-1)峰位置与三单元序列分布F_(SMS)值有一定线性关系,还对通过测量MTMP羰基伸缩振动ν_(C=O)峰位置来计算二单元序列分布P_(mm)的关系进行了讨论。     

Aggregate manganese Schiff base moieties by terephthalate or acetate: dinuclear manganese and trinuclear mixed metal Mn2/Na complexes

A reaction system consisting of terephthalic acid, NaOH, inorganic Mn(II) or Mn(III) salt, and salicylidene alkylimine resulted in dinuclear manganese complexes (salpn)(2)Mn(2)(mu-phth)(CH(3)OH)(2) (1, salpn = N,N'-1,3-propylene-bis(salicylideneiminato); phth = terephthalate dianion), (salen)(2)Mn(2)(mu-phth)(CH(3)OH)(2) (2, salen = N,N'-ethylene-bis(salicylideneiminato)), (salen)(2)Mn(2)(mu-phth)(CH(3)OH)(H(2)O) (3), and (salen)(2)Mn(2)(mu-phth) (4), while the absence of NaOH in the reaction led to a mononuclear Mn complex (salph)Mn(CH(3)OH)(NO(3)) (5, salph = N,N'-1,2-phenylene-bis(salicylideneiminato)). In addition, a trinuclear mixed metal complex H[Mn(2)Na(salpn)(2)(mu-OAc)(2)(H(2)O)(2)](OAc)(2) (6) was obtained from the reaction system by using maleic acid instead of terephthalic acid. Five-coordinate Mn ions were found in 4 giving rise to an intermolecular interaction and constructing a one-dimensional linear structure. Antiferromagnetic exchange interactions were observed for 1-3, and a total ferromagnetic exchange of 4 was considered to stem from intermolecular magnetic coupling. (1)H NMR signals of phenolate ring and alkylene (or phenylene) backbone of the diamine are similar to those reported in the literature, and the phth protons are at -2.3 to -10.1 ppm. Studies on structure, bond valence sum analysis, and magnetic properties indicate the oxidation states of the Mn ions in 6 to be +3, which are also indicated by ESR spectra in dual mode. Ferromagnetic exchange interaction between the Mn(III) sites was observed with J = 1.74 cm(-1). A quasireversible redox pair at -0.29V/-0.12V has been assigned to the redox of Mn(2)(III)/Mn(III)Mn(II), implying the intactness of the complex backbone in solution.     

Synthesis and Structural Characterization of cis- and trans-bis(4,4′-dimethyl-2,2′-bipyridine)cadmium(II) Nitrates Prepared in a One-pot Reaction

The cis and trans isomers of [Cd(dmbpy)₂](NO₃)₂] (dmbpy = 4,4′-dimethyl-2,2′-bipyridine) have been synthesized simultaneously via a one-pot reaction of Cd(NO₃)₂ · 4H₂O with the dmbpy ligand in a MeOH/H₂O mixture; they can be obtained individually by means of the mechanical separation due to their different growing habit of the single-crystals. Different π-stacking interactions are observed in the cis and trans isomers forming different one-dimensional networks. The outcome of the DFT calculations agrees well with the experimental results.     

Calculations on the octupolar molecules with enhanced two-photon absorption cross sections based on the Zn (II) and Cu (I) as centers

The equilibrium geometries, electronic structures, as well as one- and two-photon absorption cross sections of a series of octupolar chromophores with Zn(2+) or Cu(+) as coordinate centers and 4,4'-bis(dibutylaminostyryl)-[2,2']-bis(bipyridyl) as ligands have been determined by using B3LYP/6-31G and ZINDO methods. These molecules are designed by controlled combination of two or three bipyridyl ligands with the metal centers. The results show that Zn(2+) is an effective template for the design of octupolar structures which enable it to form tetrahedral and octahedral coordinated complexes; while Cu(+) only exists in a tetrahedral coordinated complex, comparing the tetrahedral complex with Zn(2+) as the center with that of Cu(+) as the center, it is found that the complex with the Cu(+) center is a better two-photon absorption material than the former as far as the transparency/nonlinearity is concerned. Furthermore, for the same metal center of Zn(2+), both one- and two-photon absorptions of the tetrahedral complex are redshifted relative to those of the octahedral complex, is attributed to the spiroconjugation effect in the tetrahedral complex. Our theoretical findings are consistent with recent experimental observations and provide an important foundation for the design of improved transparency-nonlinearity two-photon absorption materials.     

STUDY ON THE SYNTHESIS AND PROPERTIES OF MACRORETICULAR IPN POLYACRYLAMIDE—POLY(VINYL—ETHYLENEDIAMINE)CHELATE SORBENTS

A new series of MR-IPN polyacrylamide—poly(vinyl-ethylenediamine)chelatesorbents were prepared by the reaction of ethylenediamine with MR-IPN matrixes.The newchelate sorbent showed good sorption properties for auric and platinic ions.     

Supramolecular framework adducts constructed of hexamethylenetetramine,aquated alkali metal cationic clusters,and hexacyanoferrates(II/III)

The reaction of alkali metal hexacyanoferrate(II/III) with (CH₂)₆N₄ (hexamethylenetetramine, abbreviated HMT) in an acidic medium yielded crystalline compounds of stoichiometries HK₂[Fe¹¹¹(CN)₆]·2HMT·4H₂O, H₂K₂[Fe¹¹(CN)₆]·2HMT·4H₂O, and HNa₂[Fe¹¹¹(CN)₆]· 2HMT·5H₂O. Their crystal structures are based on a packing of three molecular components: neutral and/orprotonated HMT, hexacyanoferrate, and an alkali metal ion-water cluster. The resulting three-dimensional supramolecular framework is constructed from the coordination of the alkali metal ion by aqua ligands as well as [Fe(CN)₆]{n–} and HMT units, and further stabilization is achieved by hydrogen bonding between water molecules and the noncoordinated nitrogen atoms of HMT and hexacyanoferrate.     

Homolytic C-H and N-H bond dissociation energies of strained organic compounds

High-level computations at G3, CBS-Q, and G3B3 levels were conducted, and good-quality C-H and N-H bond dissociation energies (BDEs) were obtained for a variety of saturated and unsaturated strained hydrocarbons and amines for the first time. From detailed NBO analyses, we found that the C-H BDEs of hydrocarbons are determined mainly by the hybridization of the parent compound, the hybridization of the radical, and the extent of spin delocalization of the radical. The ring strain has a significant effect on the C-H BDE because it forces the parent compound and radical to adopt certain undesirable hybridization. A structure-activity relationship equation (i.e., BDE (C-H) = 61.1-227.8 (p(parent)% - 0.75)(2) + 152.9 (p(radical)% - 1.00)(2) + 40.4 spin) was established, and it can predict the C-H BDEs of a variety of saturated and unsaturated strained hydrocarbons fairly well. For the C-H BDEs associated with the bridgehead carbons of the highly rigid strained compounds, we found that the strength of the C-H bond can also be predicted from the H-C-C bond angles of the bridgehead carbon. Finally, we found that N-H BDEs show less dependence on the ring strain than C-H BDEs.     

Native and stearic acid modified ceria-zirconia supports in normal and reversed-phase HPLC

Porous ceria-zirconia composite with narrow particle size distribution and large specific surface area was synthesized by a sol-gel process. Chromatographic properties of the native supports was investigated in normal phase mode for the separation of test mixtures of basic, neutral and acidic compounds. The new packing material exhibited polar and basic properties, which are suitable for the separation of basic compounds. Lypophilic packing has been obtained by the modification of the ceria-zirconia with stearic acid, which exhibited strong hydrophobicity relative to the native packing. Therefore, the modified ceria-zirconia behaves as a reversed-phase packing material. Different selectivity towards basic compounds was observed on the new packing compared to the native ceria-zirconia and conventional ODS stationary phase.