氧合血红蛋白Fe-O2键合态 ab initio 研究

本文报道用自旋非限制Hartree-Fock方法(spin unrestricted Hartree-Fock method简写UHF)对氧合血红蛋白的Fe-O₂键合态进行ab initio研究。结果表明Fe^(Ⅱ)、Oc和Or的Mulliken布居值分别为24.18、8.19和7.64。这说明氧合血红蛋白的Fe-O₂键合态不发生电子转移。研究模型所得到的频率与实验频率基本一致。研究结果不支持Weiss提出的Fe³⁺O₂^-模型,为解释血红蛋白传输氧的作用机理提供了新的理论依据。     

线性规划法在植物生态学数学模型参数估计中的应用初探

本文提出了一种植物生态学数学模型参数估计的新方法——线性规划法,并结合最小二乘法对模型参数的估计进行了实例分析。认为某种程度上前者更优于后者。是一种值得进一步研究的方法。     

Determination of chemical biodegradation by direct and indirect methods

Summary Degradation of 10 organic chemicals by pre-acclimated microorganisms in BOD dilution water was determined directly by UV spectrophotometry and indirectly by a modified BOD method. Residual chemical concentrations were periodically measured and pseudo-first-order biodegradation rate constants (k ₁) were calculated. Thek ₁ spectrophotometry values ranged from 0.006/h to 0.077/h andk ₁-BOD values from 0.002/h to 0.043/h for 1-methylnaphthalene and indole, respectively. The ratios ofk spectrophotometry to k₁-BOD were between 1.5 for salicylic acid and 3.0 for 1-methylnaphthalene with a mean of 2.7. A significant (=0.001) linear correlation (r ²=0.854,F=46.630) existed between the two sets of rate constants. Results from this study suggest that the modified BOD method may be used to estimate chemical biodegradation rates in synthetic media.     

Different rates of substitution may produce different phylogenies of the eutherian mammals

Summary In an attempt to resolve some points of branching order in the phylogeny of the eutherian mammals, a phylogenetic analysis of 26 nuclear and 6 mitochondrial genes was undertaken using a maximum likelihood method on a constant rate stochastic model of molecular evolution. Seventeen of the nuclear genes gave a primates/artiodactyls grouping highest support whereas three of the mitochondrial genes found a rodents/artiodactyls grouping to be best supported. The primates/rodents grouping was never the best supported. On the assumption that rodents are indeed an outgroup to primates and artiodactyls and that the latter taxa diverged 70 million years ago, an estimation was made, for each gene, of the time of divergence of the rodent lineage. In most cases such estimates were beyond the limits set by present interpretations of the paleontological record as were many estimates of the divergence time of mouse and rat. These results suggest that, although there is locus variation, the divergent position of the rodent lineage may be an artifact of an elevated rate of nucleotide substitution in this order.     

Ecological release in feeding behaviour: the case of bluegills in Japan

The stomach contents were analyzed monthly for each year-class to elucidate the foraging pattern of bluegills in a small vegetated lake by the frequency occurrence and the points methods. Seasonal dietary changes of the year-classes were considered comparing the monthly fluctuations in abundance of major prey organisms. Though these bluegills are dietary generalists and opportunists like those in North America, their foraging pattern was characterized by a relatively clearer dietary shift during ontogeny and a wider food niche including piscivorous than those of bluegills with congeners in their home land. Therefore this finding provides evidence of the ecological release caused by the absence of congeners.     

Phylogenetic continuum indicates “Galaxies” in the protein universe: Preliminary results on the natural group structures of proteins

Summary The markedly nonuniform, even systematic distribution of sequences in the protein universe has been analyzed by methods of protein taxonomy. Mapping of the natural hierarchical system of proteins has revealed some dense cores, i.e., well-defined clusterings of proteins that seem to be natural structural groupings, possibly seeds for a future protein taxonomy.The aim was not to force proteins into more or less man-made categories by discriminant analysis, but to find structurally similar groups, possibly of common evolutionary origin. Single-valued distance measures between pairs of superfamilies from the Protein Identification Resource were defined by two ²-like methods on tripeptide frequencies and the variable-length subsequence identity method derived from dot-matrix comparisons. Distance matrices were processed by several methods of cluster analysis to detect phylogenetic continuum between highly divergent proteins.Only well-defined clusters characterized by relatively unique structural, intracellular environmental, organismal, and functional attribute states were selected as major protein groups, including subsets of viral and Escherichia coli proteins, hormones, inhibitors, plant, ribosomal, serum and structural proteins, amino acid synthases, and clusters dominated by certain oxidoreductases and apolar and DNA-associated enzymes.The limited repertoire of functional patterns due to small genome size, the high rate of recombination, specific features of the bacterial membranes, or of the virus cycle canalize certain proteins of viruses and Gram-negative bacteria, respectively, to organismal groups.     

Modelling of formation processes of inclusion complexes of coumarin laser dyes and β-cyclodextrin by the MM2 force field method. I. 7-Amino-4-methylcoumarins

In order to improve the generating and photochemical properties of coumarin laser dyes, the following active media were synthesized: inclusion complexes of -cyclodextrin (-CD) and 7-amino-4-methylcoumarins (COU1, COU102, COU120). Complex formation processes were studied, and the structure of the inclusion complexes was estimated using the method of MM2 molecular mechanics. The data obtained suggest the reasons underlying the complex structure effects on their spectral, luminescent and generating characteristics.     

用TOPSIS方法评价黄土丘陵区草场质量的研究

一、自然概况黄土高原位于我国西北部,西起青海日月山,东抵山西太行山,北至晋陕长城,南达甘陕秦岭,构成一个独具特色的、比较完整的自然区域,其地理范围大致是北纬34°—41°,东经103°—113°之间。高原到处有起伏的黄