Based on the study of 10 sediment cores and 40 core-top samples from the South China Sea (SCS) we obtained proxy records of past changes in East Asian monsoon climate on millennial to bidecadal time scales over the last 220,000 years. Climate proxies such as global sea level, estimates of paleotemperature, salinity, and nutrients in surface water, ventilation of deep water, paleowind strength, freshwater lids, fluvial and=or eolian sediment supply, and sediment winnowing on the sea floor were derived from planktonic and benthic stable-isotope records, the distribution of siliciclastic grain sizes, planktonic foraminifera species, and the U K 37 biomarker index. Four cores were AMS-14 C-dated. Two different regimes of monsoon circulation dominated the SCS over the last two glacial cycles, being linked to the minima and maxima of Northern Hemisphere solar insolation. (1) Glacial stages led to a stable estuarine circulation and a strong O 2 -minimum layer via a closure of the Borneo sea strait. Strong northeast monsoon and cool surface water occurred during winter, in part fed by an inflow from the north tip of Luzon. In contrast, summer temperatures were as high as during interglacials, hence the seasonality was strong. Low wetness in subtropical South China was opposed to large river input from the emerged Sunda shelf, serving as glacial refuge for tropical forest. (2) Interglacials were marked by a strong inflow of warm water via the Borneo sea strait, intense upwelling southeast of Vietnam and continental wetness in China during summer, weaker northeast monsoon and high sea-surface temperatures during winter, i.e. low seasonality. On top of the long-term variations we found millennial-to centennial-scale cold and dry, warm and humid spells during the Holocene, glacial Terminations I and II, and Stage 3. The spells were coeval with published variations in the Indian monsoon and probably, with the cold Heinrich and warm Dansgaard-Oeschger events recorded in Greenland ice cores, thus suggesting global climatic teleconnections. Holocene oscillations in the runoff from South China centered around periodicities of 775 years, ascribed to subharmonics of the 1500-year cycle in oceanic thermohaline circulation. 102=84-year cycles are tentatively assigned to the Gleissberg period of solar activity. Phase relationships among various monsoon proxies near the onset of Termination IA suggest that summer-monsoon rains and fluvial runoff from South China had already intensified right after the last glacial maximum (LGM) insolation minimum, coeval with the start of Antarctic ice melt Wang et al. / Marine Geology 156 (1999) prior to the δ 18 O signals of global sea-level rise. Vice versa, the strength of winter-monsoon winds decreased in short centennial steps only 3000-4000 years later, along with the melt of glacial ice sheets in the Northern Hemisphere.

We present a new quantum mechanics/molecular mechanics (QM/MM) embedding approach for systems with directional polar covalent bonds. This “covalent elastic polarizable environment” (covEPE) scheme features a variational treatment of an energy expression that includes all degrees of freedom of both the QM region (the “cluster”) and the MM regions (the “environment”). The method completely and explicitly includes both the electrostatic and mechanical interactions between a QM model cluster and its environment. Monovalent pseudoatoms that represent real atoms of the material saturate the dangling bonds of the cluster; these pseudoatoms belong simultaneously to the QM and MM regions. For a correct description of a pure silica environment, we constructed a new force field of the shell-model type based on potential derived charges instead of formal charges. We implemented the covEPE approach in the density functional program ParaGauss and applied it to pure-silica and Al-containing chabazite, employing a generalized gradient approximation. These applications showed that calculated structural parameters and OH frequencies of bridging hydroxyl groups reproduce experimental data with good accuracy compared to other contemporary computational methods.

1. We studied variation in the composition of fatty acids in the seston of a small freshwater reservoir with changes in phytoplankton composition during four growth seasons. We focused on the dynamics of the x3 fatty acids because of their potential importance for zooplankton nutrition. 2. Total diatoms were related to the 20:5x3 fatty acid (eicosapentaenoic, EPA) content in seston. Among two dominant diatom genera, Cyclotella was not associated with EPA content. In contrast, there was a significant correlation between Stephanodiscus and the percentage contribution and content of EPA throughout the study. Hence, freshwater diatoms can differ strongly in content of the essential EPA. 3. We considered abundant cyanobacteria as a potential source of 18:3x3 fatty acid (linolenic, ALA) to aquatic food webs. Among four dominant cyanobacteria species, two (Anabaena flos-aquae and Planktothrix agardhii) showed significant correlation with the ALA content of the seston, while the other two (Aphanizomenon flos-aquae and Microcystis aeruginosa) did not. 4. Dinophyta had a relatively high level of 22:6x3 (docosahexaenoic, DHA) for freshwater species and can be also a source of EPA to aquatic food webs. 5. Our results show that various species of diatoms as well as cyanobacteria can be of contrasting nutritional value for zooplankton because of their different content of the essential PUFAs. Diatoms, which are low in EPA, could not be considered as a valuable food, while some field populations of cyanobacteria might be valuable sources of essential ALA.

We studied composition and concentrations of fatty acids (FAs) in benthos from pebbly littoral region of the Yenisei River in a sampling site near Krasnoyarsk city (Siberia, Russia) for 1 year from March 2003 to February 2004. Special attention was paid to major longchain polyunsaturated fatty acids (PUFAs) of the x3 family: eicosapentaenoic acid (EPA, 20:5x3) and docosahexaenoic acids (DHA, 22:6x3). In phytobenthos, which was dominated by diatoms, the annual maxima of EPA and DHA pool occurred in spring and early summer. In zoobenthos, EPA and DHA pool peaked in autumn, due mainly to an increase of the biomass of dominant taxa (gammarids) and to a moderate increase of the PUFA content per body weight. Seasonal peaks of EPA in overwintering insect larvae (chironomids and caddisflies) generally coincided with those of biomass of these larvae, while there was no such trend for amphipods and oligochaetes. In spring and early summer, the main part of x3 PUFA, 40-97% of total amount, in the littoral region was contained in biomass of producers, i.e., benthic microalgae, and in autumn it was transferred to primary consumers-benthic invertebrates, which contained~76-93% of total x3 PUFAs.

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