关中地区小麦/玉米轮作农田硝态氮淋溶特点

通过田间原位淋溶装置研究了不同施氮量和秸秆覆盖对关中地区小麦/玉米轮作农田90cm深处硝态氮(NO3--N)淋溶量、0～1m土层硝态氮累积及作物产量和氮平衡的影响.试验设不施氮(N1,0kg·hm-2·a-1)、常规施氮(N2,471kg·hm-2·a-1)、推荐施氮(N3,330kg·hm-2·a-1)、减量施氮(N4,165kg·hm-2·a-1)、增量施氮(N5,495kg·hm-2·a-1)和推荐施氮+秸秆覆盖(N3+S)6个不同施肥处理.结果表明:NO3--N淋溶量随施氮量的增加而增大,氮肥的过量施用及秸秆覆盖易造成NO3--N淋溶.N3+S处理90cm处年NO3--N流失量最大,为22.32kg·hm-2,施肥造成的氮流失量为16.44kg·hm-2,比相同施氮量不覆盖处理(N3)高158.9%.NO3--N主要累积在20～60cm土层,年施氮量330kg·hm-2(N3)时,秸秆覆盖与否不影响NO3--N的剖面分布.各施肥处理对作物产量没有显著影响,但减量施氮处理(N4)有减少作物产量的趋势.在本试验条件下,推荐施肥量(小麦施氮150kg·hm-2,玉米施氮180kg·hm-2)在保证作物产量的同时,可减少土壤NO3--N的淋溶和累积.     

垃圾填埋场渗滤液灌溉及覆土土质对填埋场氧化亚氮释放的影响

采用静态箱法,现场监测黏土和砂土覆盖层生活垃圾填埋场N₂O释放通量的春夏季节及昼夜变化,研究渗滤液灌溉、覆土土质对填埋场N₂O释放的影响.结果表明：砂土和黏土覆盖层填埋场N2O夏季的释放通量均值分别为（242±576）和（591±767） μg N₂ON·m^-2·h^-1,是春季［分别为（74.4±314）和（269±335） μg N₂ON·m^-2·h^-1］的3.2（P>0.05）和2.2倍（P<0.05）.渗滤液灌溉促进了砂土填埋场覆土N₂O的释放,填埋场中灌溉区N₂O的释放通量为无灌溉区的2倍（P>0.05）.渗滤液灌溉的砂土覆盖层填埋场N₂O春夏两季释放通量均值［（211±460） μg N₂ON·m^-2·h^-1］仅为无渗滤液灌溉的黏土覆盖层填埋场［（430±605） μg N₂ON·m^-2·h^-1］的1/2（P>0.05）.无论渗滤液灌溉与否,选择贫瘠的砂性覆盖土均有助于减少生活垃圾填埋场N₂O释放.     

Modelling terrestrial nitrous oxide emissions and implications for climate feedback

Ecosystem nitrous oxide (N(2) O) emissions respond to changes in climate and CO(2) concentration as well as anthropogenic nitrogen (N) enhancements. Here, we aimed to quantify the responses of natural ecosystem N(2) O emissions to multiple environmental drivers using a process-based global vegetation model (DyN-LPJ). We checked that modelled annual N(2) O emissions from nonagricultural ecosystems could reproduce field measurements worldwide, and experimentally observed responses to step changes in environmental factors. We then simulated global N(2) O emissions throughout the 20th century and analysed the effects of environmental changes. The model reproduced well the global pattern of N(2) O emissions and the observed responses of N cycle components to changes in environmental factors. Simulated 20th century global decadal-average soil emissions were c. 8.2-9.5?Tg?N?yr(-1) (or 8.3-10.3?Tg?N?yr(-1) with N deposition). Warming and N deposition contributed 0.85?±?0.41 and 0.80?±?0.14?Tg?N?yr(-1) , respectively, to an overall upward trend. Rising CO(2) also contributed, in part, through a positive interaction with warming. The modelled temperature dependence of N(2) O emission (c. 1?Tg?N?yr(-1) K(-1) ) implies a positive climate feedback which, over the lifetime of N(2) O (114?yr), could become as important as the climate-carbon cycle feedback caused by soil CO(2) release.     

Is dinitrogen fixation significant in the Levantine Basin,East Mediterranean Sea?

We report N(2) fixation rates measured from two stations monitored monthly off the Mediterranean coast of Israel during 2006 and 2007, and along a transect from Israel to Crete in September 2008. Analyses of time-series data revealed expression of nifH genes from diazotrophs in nifH clusters I and II, including cyanobacterial bloom-formers Trichodesmium and diatom-Richelia intracellularis associations. However, nifH gene abundance and rates of N(2) fixation were very low in all size fractions measured (> 0.7 μm). Volumetric (15) N uptake ranged from below detection (～ 36% of > 300 samples) to a high of 0.3 nmol N l(-1) d(-1) and did not vary distinctly with depth or season. Areal N(2) fixation averaged ～ 1 to 4 μmol N m(-2) d(-1) and contributed only ～ 1% and 2% of new production and ～ 0.25% and 0.5% of primary production for the mixed (winter) and stratified (spring-fall) periods respectively. N(2) fixation rates along the 2008 east-west transect were also extremely low (0-0.04 nmol N l(-1) d(-1), integrated average 2.6 μmol N m(-2) d(-1) ) with 37% of samples below detection and no discernable difference between stations. We demonstrate that diazotrophy and N(2) fixation contribute only a minor amount of new N to the P impoverished eastern Mediterranean Sea.     

秸秆还田和施氮对农田土壤呼吸的影响

2003年10月至2004年9月期间在华北平原冬小麦-玉米轮作的高产粮区开展了土壤温度、秸秆还田和施氮对农田土壤呼吸影响的研究。土壤类型是砂姜黑土。试验共设6个处理,分别是N 1、N 1 W、N 2 W、N 3 W N 1 W O和N 2 W M,其中N 1、N 2和N 3表示3个施氮水平(纯N计,下同),分别是200 kg hm-2、400 kg hm-2和600 kg hm-2,W表示小麦秸秆还田,M表示玉米秸秆的1/3还田,O表示施用有机肥(每年施用鸡粪30 m3hm-2)。土壤呼吸采用碱液吸收法测定,每个处理6次重复,结果表明:(1)土壤呼吸季节动态明显,夏季高冬季低,土壤呼吸排放速率与5cm深度地温线性拟合最好(R2=0.63~0.74,p<0.001),而与地表温度线性拟合最差。各处理土壤呼吸的年通量在5650~7061 kg.hm-2(纯C计,下同),随着秸秆还田量的增加,土壤呼吸通量显著增加(p=0.05),随着施氮量的增加土壤呼吸通量也增加,但只有施氮量相差400 kg hm-2时,土壤呼吸通量差异显著(p=0.05),施用有机肥的处理土壤呼吸通量最高,有机肥施用后1~2个月,有机肥快速分解,表现为高的土壤呼吸通量。由土壤呼吸与5cm深度地温指数拟合方程求得的Q10值在1.86~2.26之间。     

Site-specific N-glycosylation of human chorionic gonadotrophin--structural analysis of glycopeptides by one- and two-dimensional 1H NMR spectroscopy.

Glycopeptides representing individual N-glycosylation sites of the heterodimeric glycoprotein hormone human chorionic gonadotrophin (hCG) were obtained from subunits hCG alpha (N-glycosylated at Asn-52 and Asn-78) and hCG beta (N-glycosylated at Asn-13 and Asn-30) by digestion with trypsin and chymotrypsin, respectively. Following purification by reverse-phase HPLC and identification by amino acid sequencing, the glycopeptides were analysed by one- and two-dimensional 1H NMR spectroscopy. The results are summarized as follows: (i) oligosaccharides attached to Asn-52 of hCG alpha comprised monosialylated 'monoantenary' NeuAc alpha 2-3Gal beta 1-4GlcNAc beta 1-2Man alpha 1-3[Man alpha 1-6]Man beta 1-4GlcNAc beta 1-4GlcNAc (N1-4'), disialylated diantennary NeuAc alpha 2-3Gal beta 1-4GlcNAc beta 1-2Man alpha 1-3[NeuAc alpha 2-3-Gal beta 1-4GlcNAc beta 1-2Man alpha 1-6]Man beta 1-4GlcNAc beta 1-4GlcNAc (N2), and the monosialylated hybrid-type structures NeuAc alpha 2-3Gal beta 1-4GlcNAc beta 1-2Man alpha 1-3[Man alpha 1-3Man alpha 1-6]Man beta 1-4GlcNAc beta 1-4GlcNAc (N1-A) and NeuAc alpha 2-3Gal-beta 1-4GlcNAc beta 1-2Man alpha 1-3[Man alpha 1-3(Man alpha 1-6)Man alpha 1-6]Man beta 1-4GlcNAc beta 1-4GlcNAc (N1-AB) in a ratio approaching 5:2:2:1; (ii) Asn-78 of hCG alpha carried N2 and N1-4' almost exclusively (ratio approximately 3:2); (iii) both N-glycosylation sites of hCG beta contained predominantly component N2, partially (approximately 25%) and completely alpha 1-6-fucosylated at the N-acetylglucosamine linked to Asn-13 and Asn-30, respectively. The distinct site-specific distribution of the oligosaccharide structures among individual N-glycosylation sites of hCG appears to reflect primarily the influence of the surrounding protein structure on the substrate accessibility of the Golgi processing enzymes alpha-mannosidase II, GlcNAc transferase II and alpha 1,6-fucosyltransferase.     

Linkage between loci controlling nodulation and testa variegation in peanut

Linkage of loci controlling nodulation (N(1)) and testa variegation (V) was studied for cultivated peanut (Arachis hypogaea L.). The lines M4-2 (nonnodulating, variegated; VVn(1)n(1)n(2)n(2)N(3)N(3)) and UF 487A (nodulating, nonvariegated; vvN(1)N(1)n(2)n(2)N(3)N(3)) were used as parents in the crosses M4-2 x UF 487A, M4-2 x (UF 487A x M4-2), and their reciprocals. Individual plants were evaluated for nodulation and testa variegation in the F(1), F(2), F(3), F(1)BC(1), and F(2)BC(1) generations. Data indicate that the N(1) and V loci are linked with calculated crossover percentage of 7.1%.     

Measured and simulated nitrous oxide emissions from ryegrass- and ryegrass/white clover-based grasslands in a moist temperate climate

There is uncertainty about the potential reduction of soil nitrous oxide (N(2)O) emission when fertilizer nitrogen (FN) is partially or completely replaced by biological N fixation (BNF) in temperate grassland. The objectives of this study were to 1) investigate the changes in N(2)O emissions when BNF is used to replace FN in permanent grassland, and 2) evaluate the applicability of the process-based model DNDC to simulate N(2)O emissions from Irish grasslands. Three grazing treatments were: (i) ryegrass (Lolium perenne) grasslands receiving 226 kg FN ha(-1) yr(-1) (GG+FN), (ii) ryegrass/white clover (Trifolium repens) grasslands receiving 58 kg FN ha(-1) yr(-1) (GWC+FN) applied in spring, and (iii) ryegrass/white clover grasslands receiving no FN (GWC-FN). Two background treatments, un-grazed swards with ryegrass only (G-B) or ryegrass/white clover (WC-B), did not receive slurry or FN and the herbage was harvested by mowing. There was no significant difference in annual N(2)O emissions between G-B (2.38±0.12 kg N ha(-1) yr(-1) (mean±SE)) and WC-B (2.45±0.85 kg N ha(-1) yr(-1)), indicating that N(2)O emission due to BNF itself and clover residual decomposition from permanent ryegrass/clover grassland was negligible. N(2)O emissions were 7.82±1.67, 6.35±1.14 and 6.54±1.70 kg N ha(-1) yr(-1), respectively, from GG+FN, GWC+FN and GWC-FN. N(2)O fluxes simulated by DNDC agreed well with the measured values with significant correlation between simulated and measured daily fluxes for the three grazing treatments, but the simulation did not agree very well for the background treatments. DNDC overestimated annual emission by 61% for GG+FN, and underestimated by 45% for GWC-FN, but simulated very well for GWC+FN. Both the measured and simulated results supported that there was a clear reduction of N(2)O emissions when FN was replaced by BNF.     

模拟氮沉降对鼎湖山森林土壤酸性磷酸单酯酶活性和有效磷含量的影响

采用野外原位试验模拟氮(N)沉降,研究了其对鼎湖山马尾松林、混交林和季风林3种森林类型土壤酸性磷酸单酯酶活性(APA)和有效磷(AP)含量的影响.在季风林中设置对照(0 kg N·hm-2·a-1)、低N(50 kg N·hm-2·a-1)、中N(100 kg N·hm-2·a-1)和高N(150 kg N·hm-2·a-1)处理,在马尾松林和混交林中只设置对照、低N和中N处理.结果表明:随着土层加深,土壤APA和AP含量降低.土壤APA在季风林中最高,而AP含量在3种林型中没有显著差异.N沉降增加对土壤APA的作用与林型有关.季风林中适度N沉降可使APA升高,且低N处理的APA(19.52 μmol·g-1·h-1)最高;马尾松林和混交林中,中N处理的APA最高,分别为12.74和11.02 μmol·g-1·h-1.3种林型的AP含量均在低N处理下最高,但各N处理之间的差异并不显著.土壤APA与AP含量之间呈显著正相关关系.     

(Dien)M(II) (M=Pd, Pt) and (NH3)3Pt(II) complexes of 1-methylcytosine: Linkage and rotational isomerism, metal-promoted deamination, and pathways to dinuclear species

Despite their structural similarity, [Pt(dien)(1-MeC-N3)](2+) (1), [Pd(dien)(1-MeC-N3)](2+) (2), and [Pt(NH(3))(3)(1-MeC-N3)](2+) (3) (with dien=diethylenetriamine and 1-MeC=neutral 1-methylcytosine) behave in part markedly different at strongly alkaline pH (12-13) and at room temperature. While 1 and 2, yet not 3 show linkage isomerization from N3 to N4, deamination of the cytosine nucleobase to 1-methyluracilate occurs with 1 and 3, yet not with 2. Pathways leading to N3,N4-diplatinated 1-MeC(-) complexes (1-MeC(-)=1-methylcytosine, deprotonated at exocyclic amino group N4) have been studied at high pH by starting from 1 and 3, respectively, and adding (dien)Pt(II). It appears that initial migration of the metal entity from N3 to N4, followed by binding of the second metal to the available N3 site, is favored over sequential coordination to N3 and then N4. X-ray crystal data of 1-3 density functional theory (DFT) calculations, and NMR ((1)H, (195)Pt) data are presented.     

1,N(2)-ethenoguanine,a mutagenic DNA adduct,is a primary substrate of Escherichia coli mismatch-specific uracil-DNA glycosylase and human alkylpurine-DNA-N-glycosylase

The promutagenic and genotoxic exocyclic DNA adduct 1,N(2)-ethenoguanine (1,N(2)-epsilonG) is a major product formed in DNA exposed to lipid peroxidation-derived aldehydes in vitro. Here, we report that two structurally unrelated proteins, the Escherichia coli mismatch-specific uracil-DNA glycosylase (MUG) and the human alkylpurine-DNA-N-glycosylase (ANPG), can release 1,N(2)-epsilonG from defined oligonucleotides containing a single modified base. A comparison of the kinetic constants of the reaction indicates that the MUG protein removes the 1,N(2)-epsilonG lesion more efficiently (k(cat)/K(m) = 0.95 x 10(-3) min(-1) nm(-1)) than the ANPG protein (k(cat)/K(m) = 0.1 x 10(-3) min(-1) nm(-1)). Additionally, while the nonconserved, N-terminal 73 amino acids of the ANPG protein are not required for activity on 1,N(6)-ethenoadenine, hypoxanthine, or N-methylpurines, we show that they are essential for 1,N(2)-epsilonG-DNA glycosylase activity. Both the MUG and ANPG proteins preferentially excise 1,N(2)-epsilonG when it is opposite dC; however, unlike MUG, ANPG is unable to excise 1,N(2)-epsilonG when it is opposite dG. Using cell-free extracts from genetically modified E. coli and murine embryonic fibroblasts lacking MUG and mANPG activity, respectively, we show that the incision of the 1,N(2)-epsilonG-containing duplex oligonucleotide has an absolute requirement for MUG or ANPG. Taken together these observations suggest a possible role for these proteins in counteracting the genotoxic effects of 1,N(2)-epsilonG residues in vivo.     

Coordination abilities of N-terminal fragments of alpha-synuclein towards copper(II) ions: a combined potentiometric and spectroscopic study

Copper(II) complexes of the 1-17 (MDVFMKGLSKAKEGVVA-NH(2)), 1-28 (MDVFMKGLSKAKEGVVAAAEKTKQGVAE-NH(2)), 1-39 (MDVFMKGLSKAKEGVVAAAEKTKQGVAEAPGKTKEGVLY-NH(2)) and 1-39 (A30P) fragments of alpha-synuclein were studied by potentiometric, UV-Vis (UV-visible), CD (circular dichroism) and EPR (electron paramagnetic resonance) spectroscopic methods to determine the stoichiometry, stability constants and coordination modes of the complexes formed. The beta-carboxylate group of Asp residue in second position of the peptide chain coordinates strongly to Cu(II) ion over the pH range 4-9.5 to give unusually stable 2N complex with {NH(2), N(-), beta-COO(-), H(2)O} coordination mode. At pH above 7 the results suggest the formation of 2N, 3N, 4N complexes (in equatorial plane) and the involvement of the lateral NH(2) group of Lys residue in the axial coordination of Cu(II) ion. In CD spectra sigma (epsilon-NH(2)-Lys)-->Cu(II) charge transfer transition is observed. Addition of the 18-28 and 18-39 fragments to the 1-17 peptide does not change the coordination mode and the 1-39 fragment forms the Cu(II) complexes with higher stabilities compared to those of the 1-17, 1-28 and 1-39(A30P) fragments of alpha-synuclein.     

NH2-Terminal targeting motifs direct dual specificity A-kinase-anchoring protein 1 (D-AKAP1) to either mitochondria or endoplasmic reticulum.

Subcellular localization directed by specific targeting motifs is an emerging theme for regulating signal transduction pathways. For cAMP-dependent protein kinase (PKA), this is achieved primarily by its association with A-kinase-anchoring proteins (AKAPs). Dual specificity AKAP1, (D-AKAP1) binds to both type I and type II regulatory subunits and has two NH2-terminal (N0 and N1) and two COOH-terminal (C1 and C2) splice variants (. J. Biol. Chem. 272:8057). Here we report that the splice variants of D-AKAP1 are expressed in a tissue-specific manner with the NH2-terminal motifs serving as switches to localize D-AKAP1 at different sites. Northern blots showed that the N1 splice is expressed primarily in liver, while the C1 splice is predominant in testis. The C2 splice shows a general expression pattern. Microinjecting expression constructs of D-AKAP1(N0) epitope-tagged at either the NH2 or the COOH terminus showed their localization to the mitochondria based on immunocytochemistry. Deletion of N0(1-30) abolished mitochondrial targeting while N0(1-30)-GFP localized to mitochondria. Residues 1-30 of N0 are therefore necessary and sufficient for mitochondria targeting. Addition of the 33 residues of N1 targets D-AKAP1 to the ER and residues 1-63 fused to GFP are necessary and sufficient for ER targeting. Residues 14-33 of N1 are especially important for targeting to ER; however, residues 1-33 alone fused to GFP gave a diffuse distribution. N1(14-33) thus serves two functions: (a) it suppresses the mitochondrial-targeting motif located within residues 1-30 of N0 and (b) it exposes an ER-targeting motif that is at least partially contained within the N0(1-30) motif. This represents the first example of a differentially targeted AKAP and adds an additional level of complexity to the PKA signaling network.     

Simultaneous measurement of denitrification and nitrogen fixation using isotope pairing with membrane inlet mass spectrometry analysis

A method for estimating denitrification and nitrogen fixation simultaneously in coastal sediments was developed. An isotope-pairing technique was applied to dissolved gas measurements with a membrane inlet mass spectrometer (MIMS). The relative fluxes of three N(2) gas species ((28)N(2), (29)N(2), and (30)N(2)) were monitored during incubation experiments after the addition of (15)NO(3)(-). Formulas were developed to estimate the production (denitrification) and consumption (N(2) fixation) of N(2) gas from the fluxes of the different isotopic forms of N(2). Proportions of the three isotopic forms produced from (15)NO(3)(-) and (14)NO(3)(-) agreed with expectations in a sediment slurry incubation experiment designed to optimize conditions for denitrification. Nitrogen fixation rates from an algal mat measured with intact sediment cores ranged from 32 to 390 microg-atoms of N m(-2) h(-1). They were enhanced by light and organic matter enrichment. In this environment of high nitrogen fixation, low N(2) production rates due to denitrification could be separated from high N(2) consumption rates due to nitrogen fixation. Denitrification and nitrogen fixation rates were estimated in April 2000 on sediments from a Texas sea grass bed (Laguna Madre). Denitrification rates (average, 20 microg-atoms of N m(-2) h(-1)) were lower than nitrogen fixation rates (average, 60 microg-atoms of N m(-2) h(-1)). The developed method benefits from simple and accurate dissolved-gas measurement by the MIMS system. By adding the N(2) isotope capability, it was possible to do isotope-pairing experiments with the MIMS system.     

Seasonal variation in nitrous oxide and methane emissions from subtropical estuary and coastal mangrove sediments, Australia

Mangrove sediments can act as sources of the greenhouse trace gases, nitrous oxide (N(2) O) and methane (CH(4) ). Confident reporting of trace gas emissions from mangrove sediments at local levels is important for regional emissions inventories, since small changes in N(2) O and CH(4) fluxes greatly influence greenhouse gas budgets due to their high global warming potentials. It is also important to identify the drivers of trace gas emission, to prioritize management for minimising emissions. We measured N(2) O and CH(4) fluxes and abiotic sediment parameters at midday low tide in winter and summer seasons, at four sites (27°33'S, 152°59'E) ranging from estuary to ocean sub-tropical mangrove sediments, having varied anthropogenic impacts. At all sites, sediment N(2) O and CH(4) emissions were significantly lower during winter (7-26 μg N(2) O m(-2) · h(-1); 47-466 μg CH(4) m(-2) · h(-1)) compared to summer (28-202 μg N(2) Om(-2) · h(-1); 247-1570 μg CH(4) m(-2) · h(-1)). Sediment temperature, ranging from 18 to 33°C, strongly influenced N(2) O and CH(4) emissions. Highest emissions (202 μg N(2) O m(-2) · h(-1), 1570 μg CH(4) m(-2) · h(-1) ) were detected at human-impacted estuary sites, which generally had higher total carbon (<8%) and total nitrogen (<0.4%) in sediments and reduced salinity (<16 dS · m(-1)). Large between-site variation highlights the need for regular monitoring of sub-tropical mangroves to capture short-lived, episodic N(2) O and CH(4) flux events that are affected by sediment biophysico-chemical conditions at site level. This is important, particularly at sites receiving anthropogenic nutrients, and that have variable freshwater inputs and tidal hydrology.     

模拟氮沉降对克氏针茅草原土壤有机碳的短期影响

为更好地了解天然草地土壤有机碳对氮沉降增加的响应,2011年在内蒙古太仆寺旗的克氏针茅(Stipa krylovii)草原上开展了模拟氮沉降的控制实验,设置对照(CK)和5个模拟氮沉降(NO-3)处理,分别为2(N1)、5(N2)、10(N3)、25(N4)和50 g N m-2a-1(N5)。生长季末,采集每个样地中0—2 cm和2—10 cm深度土壤进行有机碳含量及组成的分析,并进行实验室矿化培养。结果表明,土壤颗粒态有机碳(POC)对氮添加响应敏感,N1和N2处理下的POC含量高于CK,N3、N4和N5处理则低于CK。5个模拟氮沉降处理下的矿质结合态有机碳(MOC)含量均高于对照,但差别不显著。不同氮沉降水平下0—2 cm土层的碳矿化潜势为N2N1N4N3CKN5,且N1,N2,N3和N4处理均显著高于CK和N5;2—10 cm土层的碳矿化潜势为N2N1N3CKN4N5,N1、N2和N3显著高于CK、N4及N5。不同施氮处理对群落净第一性生产力有明显影响,N5的净第一性生产力和地上生物量显著低于对照和其它施氮处理,N1的0—10 cm地下生物量显著高于对照和其它处理,N5的凋落物量显著高于对照。模拟氮沉降短期内对土壤总有机碳(SOC)含量无显著影响。     

A computer-aided quantum chemical study of the N<Stack><Subscript>15</Subscript><Superscript>−</Superscript></Stack> cluster

Ab initio (RHF, MP2) and Density Functional Theory (DFT) methods have been used to examine six isomers of the N15m cluster with the 6-31+G* basis set. Different from the known odd-numbered anionic N7m, N9m, and N11m clusters, in which the open-chain structures are the most stable species, the most stable N15m isomer is structure 1 (C1), which may be considered as a complex between the fragments cyclic N5m (D5h) and staggered N10 (D2d). The decomposition pathways of structure 2 (CS), containing two aromatic N5 rings connected by a N5 chain, and the open-chain structure 3 (C2v) were studied at the B3LYP/6-31+G* level of theory. Relative energies were refined at the level of B3LYP/6-311+G(3df,2p)//B3LYP/6-31+G*+ZPE (B3LYP/6-31+G*). The barriers for N2 and N5m (D5h) fission reactions for structure 2 are predicted to be 18.2 and 14.2 kcal x mol(-1), respectively. The corresponding N2+N3m fission barrier for structure 3 is predicted to be 11.2 kcal x mol(-1). Supplementary material is available for this article if you access the article at http://dx.doi.org/10.1007/s00894-003-0118-0. A link in the frame on the left on that page takes you directly to the supplementary material. Figure Structure 1 of the N15m cluster, showing bond distances in A and bond angles in degrees     

基于石生藓类氮含量的贵阳地区大气氮沉降

对贵阳市区到农村地区的石生藓类氮含量进行了系统分析,并根据藓类氮含量(y,%)和大气氮沉降(x, kg hm~(-2) a~(-1))的平均定量关系(y=0.052x+0.7325)计算了各采样点的大气氮沉降值.贵阳地区大气氮沉降的变化范围为0.91～44.69kg hm~(-2) a~(-1),市区大气氮沉降最高平均(29.21±6.17)kg hm~(-2) a~(-1),主要来自城市废水NH3释放;最低平均(11.95±3.95)kg hm~(-2) a~(-1),出现在城市和农村的结合地带,主要原因在于来自市区的氮污染物减少、且大量分布了环城林带、农业活动相对较低;20km以外的农村地区大气氮沉降略微升高(平均(14.31±5.11)kg hm~(-2) a~(-1)),主要反映了农业施肥导致NH3释放的增加.结果表明,石生藓类氮含量是一种经济可靠的大气氮沉降监测工具,能够较准确地量化大气氮沉降的水平,并为深入研究大气氮沉降的生态环境效应提供基础资料.     

Exact Inbreeding Coefficient and Effective Size of Finite Populations under Partial Sib Mating

An exact recurrence equation for inbreeding coefficient is derived for a partially sib-mated population of N individuals mated in N/2 pairs. From the equation, a formula for effective size (N(e)) taking second order terms of 1/Ninto consideration is derived. When the family sizes are Poisson or equally distributed, the formula reduces to N(e) = [(4 - 3β)N/(4 - 2β)] + 1 or N(e) = [(4 - 3β)N/(2 - 2β)] - 8/(4 - 3β), approximately. For the special case of sib-mating exclusion and Poisson distribution of family size, the formula simplifies to N(e) = N + 1, which differs from the previous results derived by many authors by a value of one. Stochastic simulations are run to check our results where disagreements with others are involved.