亚乙基硫脲分子键伸缩模式与全耦合模式键极化率的对比及其拉曼激发虚态的相关研究

从拉曼峰强着手,得到了键伸缩模式与全耦合模式两种不同计算条件下,亚乙基硫脲(ethylene thiourea,ETU)分子的键极化率,并比较分析了两种计算结果的异同.研究表明:在键伸缩模式的算法中,仅考虑势能分布中键对称伸缩比重相对较大的部分拉曼峰参与极化率计算,显然忽略了键伸缩与键弯曲间的相互耦合,造成了与弯曲振动耦合较强的部分键伸缩极化率值存在一定误差.因此,此方法虽能使问题简化,但却丢失了一些信息.而全耦合模式算法考虑了所有振动模式(键伸缩与键弯曲)相互影响的情况,能更全面的反映键电荷的分布情况,     

The complex band structure for armchair graphene nanoribbons

Using a tight binding transfer matrix method, we calculate the complex band structure of armchair graphene nanoribbons. The real part of the complex band structure calculated by the transfer matrix method fits well with the bulk band structure calculated by a Hermitian matrix. The complex band structure gives extra information on carrier's decay behaviour. The imaginary loop connects the conduction and valence band, and can profoundly affect the characteristics of nanoscale electronic device made with graphene nanoribbons. In this work, the complex band structure calculation includes not only the first nearest neighbour interaction, but also the effects of edge bond relaxation and the third nearest neighbour interaction. The band gap is classified into three classes. Due to the edge bond relaxation and the third nearest neighbour interaction term, it opens a band gap for N=3M-1. The band gap is almost unchanged for N=3M+1, but decreased for N=3M. The maximum imaginary wave vector length provides additional information about the electrical characteristics of graphene nanoribbons, and is also classified into three classes.     

中国海欧努菲虫复合种(Polychaeta,Onuphidae)的分类修订

通过对中国科学院海洋生物标本馆历年收藏的欧努菲虫属Onuphis标本的系统研究,发现我国被广泛报道的多毛类物种欧努菲虫O. eremita AudouinMilne Edwards, 1833为错误记录,该种在在中国海并无分布,绝大部分标本应鉴定为入江欧努菲虫O. iriei MaekawaHayashi, 1999,少数为中华欧努菲虫O.chinensisUschakovWu,1962、福建欧努菲虫O.fujianensisUschakovWu,1962、乌氏欧努菲虫O. uschakovi WuXu, 2017及色斑欧努菲虫O. variolata Shen, 1987。本文回顾了O. eremita和O. iriei的分类研究历史,对我国入江欧努菲虫的头部、疣足、刚毛等形态结构及地理分布进行全面研究,同时对上述欧努菲虫复合种做了形态比较,澄清了欧努菲虫长达30年的分类学误识。     

阻挫三角反铁磁AgCrO2螺旋自旋序的第一性原理研究

基于密度泛函理论的广义梯度近似(GGA)和投影缀加波(PAW)方法,分别从共线和非共线磁性结构出发,研究了自旋阻挫三角反铁磁AgCrO₂的基态、磁性以及电子结构,从理论计算的角度给出了基态磁性结构.计算结果表明:AgCrO₂具有120°螺旋自旋序反铁磁基态,其自旋螺旋面平行于(110)面或(11 0)面;由于Cr离子间的自旋几何阻挫,导致沿晶体的a,b和a+b方向上均形成了螺旋自旋转动角为120°的相互平行的螺旋自旋链;     

Electronic and optical properties of pure and Ce3+-doped CaS single crystals: a first-principles prediction

This paper investigates the electronic and optical properties for pure and Ce³⁺-doped CaS crystals by using the first-principles total energy calculations. The results show that CaS:Ce has a direct band gap of 2.16 eV, and the top of the valence band is determined by S 3p states and the bottom of the conduction band is determined by Ce 4f states, respectively. Our results validate that the yellow emission from CaS:Ce is produced by doped cerium and the green emission quenches at 12.5% cerium concentration. The Ce-S bond shows more covalent character than the Ca-S bond.     

boldmath Investigation of inter-molecular hydrogen bonding in the binary mixture (acetone + water) by concentration dependent Raman study and ab initio calculations

This paper reports that vibrational spectroscopic analysis on hydrogen-bonding between acetone and water comprises both experimental Raman spectra and ab initio calculations on structures of various acetone/water complexes with changing water concentrations. The optimised geometries and wavenumbers of the neat acetone molecule and its complexes are calculated by using ab initio method at the MP2 level with 6-311+G(d,p) basis set. Changes in wavenumber position and linewidth (fullwidth at half maximum) have been explained for neat as well as binary mixtures with different mole fractions of the reference system, acetone, in terms of intermolecular hydrogen bonding. The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the concentration dependent changes in the spectral features in terms of hydrogen bonding.     

The Oregon ocean resources management program: a state-level ocean management initiative

The state of Oregon has instituted an ocean resources management program within state government. The program, enacted by the state legislature in 1987 and amended in 1991, is a component of the statewide land-use planning program and coastal management program developed in the early 1970s. Politically the ocean program has roots in strong public interest in protecting coastal resources from destruction or degradation. This paper reviews the history of the development of the program, describes key elements, highlights some distinguishing program characteristics, sketches the ocean governance relationships that now exist off Oregon and lists some practical examples of what the program has accomplished. Finally, the paper includes some observations that may provide perspective for others contemplating a state ocean management program.     

Spawning hoki (Macruronus novaezelandiae Hector) concentrations in Cook Strait and off the east coast of the South Island,New Zealand,August‐September 1987

Abstract

In September 1986, dense concentrations of freshly spawned hoki (Macruronus novaezelandiae) eggs were located in eastern Cook Strait. A follow‐up exploratory trawl survey of Cook Strait and the east coast of the South Island, in August and September 1987, located concentrations of spawning hoki in canyon features in Cook Strait, off the Kaikoura coast, and off Banks Peninsula. The largest concentration, 14 km long, 4 km wide, and up to 150 m thick occurred in Cook Strait Canyon, with catch rates of hoki up to 48 t h^?1. Gonad conditions of male and female hoki showed they were actively spawning. Catch rates in Cook Strait Canyon were comparable to the main fishery on the west coast of the South Island but were much lower off Kaikoura and Banks Peninsula. Hoki associated with spawning concentrations were not feeding. Bycatch species were mostly ling (Genypterus blacodes) and spiny dogfish (Squalus acanthias), and both were preying on hoki. Spiny dogfish were also feeding on spawned fish eggs. The possible stock structure of hoki is discussed.     

Book reviews

Detritus and microbial ecology in aquaculture. B7 Editors: D. J. W. Moriarty and R. S. V. Pullin, 1987. Proceedings for the Conference on Detrital Systems for Aquaculture, Italy, August 1985. 420 p. ISSN 0115–4389, ISBN 971–1022–29‐X. Price: US$12.50 surface. Available from ICLARM, MC P. O. Box 1501, Makati, Metro Manila, Philippines.

Coastal fishes of New Zealand, a diver's identification guide. By Malcolm Francis, 1988. Heinemann Reed, Octopus Publishing Group Ltd., Auckland. 63 p. Price: $29.95. ISBN 0–7900–0013‐X.

Lake managers handbook. Editor: W. N. Vant 1987, Water Quality Centre, Ministry of Works and Development, Hamilton. Water & Soil Miscellaneous Publication 103, 230 p., 53 figures, 12 colour plates. Price: $38.50. ISSN 0110–4705. Available from DSIR Publishing, P.O. Box 9741, Wellington, New Zealand.     

Relationship between turbidity and fish diets in Lakes Waahi and Whangape,New Zealand

Abstract

Stomach contents of Gobiomorphus cotidianus,Retropinna retropinna, Gambusia affinis, and Anguilla australis were compared between two shallow lakes in the lower Waikato River basin, to examine the relationship between turbidity and diet. Lake Waahi and the south arm of Lake Whangape had been turbid (20–40 g suspended solids (SS) m^?3) and devoid of submerged macrophytes since the late 1970s and early 1980s, respectively. The main basin of Lake Whangape had been generally clearer (5 g SS m^?3) with dense beds of submerged macrophytes, but at the time of sampling (1987) water clarity had deteriorated (> c. 10 g SS m³) and submerged macrophytes had declined. The mysid Tenagomysis chiltoni was an important prey for all species of fish from turbid water bodies but was less important in stomachs of fish in the main basin of Lake Whangape. Apparently, mysids were not an important prey in Lake Waahi before it became turbid. Chironomid larvae and pupae dominated the diets of small fish in the main basin of Lake Whangape. Fish and mysids were the most important prey of shortfinned eels in both lakes, with mysids most important in Lake Waahi. High mysid densities in the turbid water bodies provide an alternative food resource apparently compensating for those lost by fish when water clarity declined and submerged macrophytes collapsed.     

Morphological observation and rbcL gene sequences studies of two new species, Grateloupia dalianensis H.W.Wang et D.Zhao, sp. nov. and G. yinggehaiensis H.W.Wang et R.X.Luan, sp. nov. (Halymeniaceae, Rhodophyta) from China

A few species in the genus Grateloupia (Halymeniaceae,Rhodophyta) have been investigated in detail with respect to morphological observations and molecular analyses.In this study,the authors document the vegetative and reproductive structures of two new species of Grateloupia,G.dalianensis H.W.Wang et D.Zhao,sp.nov.and G.yinggehaiensis H.W.Wang et R.X.Luan,sp.nov.They both have the morphological character that carpogonial ampullae and auxiliary cell ampullae are the simple Grateloupia-type.The two species can be distinguished from other species of the genus by their distinctive morphological features respectively.Based on ribulose-1,5-bisphosphate carboxylase/oxygenase (rbcL) gene sequences,the phylogenetic tree obtained in the study indicated that they are both embedded within the Grateloupia clade.G.dalianensis clusters a subclade with G.asiatica,and G.yinggehaiensis forms a single monophyletic subclade with G.hawaiiana.     

Growth characteristics,pigmentation, and the identificaton of whitebait (galaxias spp., Salmonoidea)

Definitions are given for stages in the development of five species of Galaxias, family Galaxiidae, which have marine larvae.

Larvae of Galaxias maculates attenuates and G. brevipinnis are large, and those of G. fasciatus relatively small as they enter fresh water from the sea. Development as whitebait involves shrinkage by about 25% in total length; the head length, considered separately, shrinks by about 15%. The ratio of standard length to head length alters from the larval to the adult value before positive growth recommences. These features are probably similar for G. postvectis and G. argenteus

Minimum observed pigmentation is described for the late larvae of G m. attenuates, G. brevipinnis, and G. fasciatus and for early whitebait of these and of G. postvectis and G. argenteus Subsequent development of melanophores and of colour pattern is described and figured. Large melano‐phores along the lateral line distinguish early whitebait of G. m. attenuates, but no distinguishing feature of pigmentation has been found in other species until the juvenile pattern is apparent. This pattern is characteristic for each species, and it persists in adult G. m. attenuates. G. argenteus has distinct juvenile and adult patterns, the latter being developed in a second, superficial, layer of pigment cells. Adult G. postvectis develop a distinctive fin colour pattern unlike other New ‐Zealand Galaxias; the superficial pigment layer is without definite pattern. In adult G. brevipinnis this layer resembles the persistent juvenile pattern and the two layers combined give a reticulate appearance. In G. fasciatus the juvenile pattern persists and develops as the fish grow; the superficial pigment layer is present in adults but is not usually apparent.

Until now positive identification of whitebait has depended on colour pattern. Recently recorded identifications of unpigmented whitebait are shown to be misleading. A key is given for the identification of early and late whitebait using absolute measurements as an important character.     

Re-identifying Grateloupia yangjiangensis (Rhodophyta, Halymeniaceae) based on morphological observations, life history and rbcL sequence analyses

On the basis of morphological observations, life history and molecular phylogeny, Grateloupia yangjiangensis, which is similar to G. filicina, G. orientalis, G. catenata, and G. ramosissima in appearance, was re-examined. The results are as follows:(1) the auxiliary-cell ampullae of G. yangjiangensis were of Grateloupia type, thalli was fleshy and gelatinous in texture, and the erect axes were compressed; the cortex was 0.25–0.30 mm thick, consisting of five to seven outer layers, and there were five inner layers of triangular or stellate cells;(2) there was no filamentous stage in the development of the carpospores;(3) the ribulose-1,5-bisphosphate carboxylase/oxygenase gene(rbcL) sequence of four G. yangjiangensis examined showed that there was no intergeneric divergence among them, and for the phylogenetic tree, four sequences of G. yangjiangensis formed a single monophyletic subclade within the large Grateloupia clade of Halymeniaceae. In conclusion, G. yangjiangensis was a single species within the genus Grateloupia. This research provided criterion for identification and cultivation of G. yangjiangensis.     

蜈蚣藻、蜈蚣藻节夹变型和拟厚膜藻卡拉胶的研究

于１９８８－１９９０年对采自青岛的蜈蚣藻，河北的蜈蚣藻节夹变型和浙江的拟原膜所含多糖的产率，物理性质，化学组化和结构进行分析研究。实验结果表明，拟厚膜藻多糖无凝固性；蜈蚣藻多糖凝固性很低；蜈蚣藻节夹变型多糖有些凝固性，是三者中凝固性最好的。     

Otolith shape as a stock discrimination tool for ling (Genypterus blacodes) in the fjords of Chilean Patagonia

ABSTRACT

Genypterus blacodes, in terms of its fishing history and local economic importance, is an emblematic species harvested in Chilean Patagonia (41°00’–57°00’S). Most of the current fisheries and biological knowledge of this species come from the open ocean, whereas information about the species in fjords and inner channels is fragmentary. In 2018, two research surveys targeting G. blacodes were conducted in the fjords and inner channels of Chilean Patagonia. A total of 253 pairs of sagittal otoliths were sampled at three different localities, and their contours were modelled using wavelet analysis as a tool for stock discrimination. Contours were compared using canonical analysis, and classification was performed using linear discriminant and Random Forest analyses. The results indicated that the wavelet method is efficient in modelling otolith contours, and the discriminant analyses showed differences among fishing grounds across the latitudinal gradient, thus confirming the hypothesis that G. blacodes conform to at least two separate stock units in Chilean Patagonia. Fishing grounds that were closer in space showed higher levels of misclassification. The discussion focuses on how environmental variables and the geography of fjords shape stock differences and how this information can be used for the sustainable management of G. blacodes.     

Purification of two crab-paralysing polypeptides from the sea anemone Bolocera tuediae

Two toxic polypeptides BTTX I and BTTX II were isolated from the sea anemone Bolocera tuediae. Toxin isolation was achieved by alcoholic extraction of the homogenized tentacles and filaments, batchwise adsorption onto ion-exchangers (QAE-Sephadex A25, CM-Cellulose, Se-Cellulose, Sp-Sephadex C25), gel filtration on Sephadex G50 and G25 and ion-exchange chromatography on SP-Sephadex C25 and QAE-Sephadex A25. The toxins were tested on the shore crab Carcinus maenas by intramuscular injection. LD₁₀₀ for BTTX I is 500 μg kg⁻¹ C. maenas, whereas the BTTX II it is 40 μg kg⁻¹. The molecular weights of both toxins are estimated to be 5000 Dalton.     

Strain-Rate Dependent Stress--Strain Behavior of Undisturbed Hong Kong Marine Deposits under Oedometric and Triaxial Stress States

ABSTRACT

This article presents a testing study on the strain-rate effects on the stress--strain behavior of natural, undisturbed Hong Kong marine deposits (HKMD) from three Hong Kong locations, including a one-dimensional (1-D) compressibility in a confined condition, and undrained shear strengths in triaxial compression and extension modes. The influences of the strain rates on the one-dimensional compressibility are studied by means of constant rate of strain (CRS) tests and multistage loading oedometer (MSL) tests, and those on the undrained shear strengths are studied by K _o-consolidated undrained compression and extension tests with step-changed axial strain rates (CK _oUC and CK _oUE tests), and with both step-changed axial strain rates and relaxation processes (CK _oUCR and CK _oUER tests). The strain-rate effects on the stress--strain behavior are generally examined by “apparent” preconsolidation pressures in the 1-D compressions and undrained shear strengths in the triaxial compression and extension stress states. The stress--strain behavior of the natural, undisturbed HKMD exhibits considerable viscous characteristics. In the CRS and MSL tests at a given strain, the higher the strain rate, the higher the effective stress, the higher the porewater pressure. In the undrained shearing tests, the higher the strain rate, the higher the undrained shear strength, but the lower the porewater pressure. For the CK _oUC and CK _oUE tests on the Tsing Yi site samples, the undrained shear strength increases by 8.5% and 12.1% for one order increment of axial strain rate of 0.2%/hr (i.e., ρ_0.2) for the compression and extension modes respectively. For the CK _oUCR and CK _o tests on the Tung Chung site samples of different compositions, average ρ_0.2 is increased by 6.2% for the compression and 9.5% for the extension, but by 18.8% for the extension on a higher plastic sample. The present study shows that the strain-rate effects on the stress--strain behavior of the undisturbed HKMD are larger for specimens in extension than those in compression.     

Structural and thermodynamic signatures of marine microlayer surfactant films

Natural surface film experiments in inland waters and shallow offshore regions of the Baltic and Mediterranean Seas were carried out in the time period 1990–1999 under calm sea conditions using a novel device for sampling and force-area studies. The sampler-Langmuir trough-Wilhelmy filter paper plate system ‘cuts out’ an undisturbed film-covered sea area to perform π-A studies without any initial physico-chemical sample processing. The limiting specific area A_lim (2.68–31.57 nm²/molecule) and mean molecular mass M_w (0.65–9.7 kDa) of microlayer surfactants were determined from the 2D virial equation of state applied to the isotherms. Enthalpy ΔH and entropy ΔS_t of the 2D first-order phase transitions were evaluated using the Clausius-Clapeyron equation applied to the isotherms. Miscibility of film components and film structure evolution is expressed by the scaling exponent y adopting the 2D polymer film scaling theory. The stress-relaxation measurements revealed a two-step relaxation process at the interface with characteristic times τ₁=1.1–2.8 and τ₂=5.6–25.6 seconds suggesting the presence of diffusion-controlled and structural organisation relaxation phenomena. The obtained results suggest that natural films are a complex mixture of biomolecules covering a wide range of solubilities, surface activity and molecular masses with an apparent structural organisation exhibiting a spatial and temporal variability.     

Raman spectroscopic measurements of synthetic gas hydrates in the ocean

A Raman spectrometer extensively modified for deep ocean use was used to measure synthetic hydrates formed in an ocean environment. This was the first time hydrates formed in the ocean have been measured in situ using Raman spectroscopy. Gas hydrates were formed in situ in the Monterey Bay by pressurizing a Pyrex cell with various gas mixtures. Raman spectra were obtained for sI methane hydrate and sII methane + ethane hydrate. Gas occlusion resulting from rapid gas growth of methane hydrate was measured immediately after formation. The Raman shift for methane free gas was coincident with that of methane in the small 5¹² hydrate cage. The methane Raman peak widths were used to discriminate between methane in the free gas and hydrate phase. Methane + ethane sII hydrate was formed for 43 days on the seafloor. In this case, gas occlusion was not measured when the gas hydrates were allowed to form over an extended time period. Equivalent Raman spectra were obtained for the in situ and laboratory-formed sII methane + ethane hydrates, under similar p, T, and x conditions. With the Raman spectrometer operating in the ocean, seawater contributes to the Raman spectra obtained. Both the Raman bands for the sulfate ion and water were used to qualitatively determine the distribution of water phases measured (hydrate, seawater) in the Raman spectra.