High-Resolution Magic Angle Spinning Nmr-Studies Of P-31 And B-11 In Fast Ion Conducting Agi-Ag2o-P2o5 And Agi-Ag2o-B2o3 Glasses

Silver iodide-based fast ion conducting glasses containing silver phosphate and silver borate have been studied. An attempt is made to identify the interaction between anions by studying the chemical shifts of31P and11B atoms in high resolution (HR) magic angle spinning (MAS) NMR spectra. Variation in the chemical shifts of31P or11B has been observed which is attributed to the change in the partial charge on the31P or11B. This is indicative of the change in the electronegativity of the anion matrix as a whole. This in turn is interpreted as due to significant interaction among anions. The significance of such interaction to the concept of structural unpinning of silver ions in fast ion conducting glasses is discussed.

细胞色素b基因序列与11种熊蜂的系统进化

通过比较一段357bp的细胞色素b的序列,分析了熊蜂属5亚属11种熊蜂系统发育关系。5亚属包括Bombus(5种)、Thoracobombus(3种)、Mendacibombus(1种)、Fervidobombus(1种)和Pyrobombus(1种)。该序列有65个单变异多态位点和71个简约信息多态位点,翻译成119个氨基酸序列后有45个氨基酸变异位点。根据P-距离构建的邻接树(NJ tree)和最大简约树(MP tree)都显示同样的结果:Mendacibombus(B. avinovielllus)分化最早;Fervidobombus(B. pensylvanicus)次之;Pyrobombus(B. impatiens)和Bombus形成姊妹群;Bombus亚属是单系群,其中B. ignitus在所研究的5个种中分化最早。

New measurement of the B-11(p,alpha(0))Be-8 bare-nucleus S(E) factor via the Trojan horse method

A new measurement of the B-11(p,alpha(0))Be-8 has been performed applying the Trojan horse method (THM) to the H-2(B-11,alpha Be-8(0))n quasi-free reaction induced at a laboratory energy of 27 MeV. The astrophysical S(E) factor has been extracted from similar to 600 keV down to zero energy by means of an improved data analysis technique and it has been compared with direct data available in the literature. The range investigated here overlaps with the energy region of the light element LiBeB stellar burning and with that of future aneutronic fusion power plants using the B-11+p fuel cycle. The new investigation described here confirms the preliminary results obtained in the recent TH works. The origin of the discrepancy between the direct estimate of the B-11(p,alpha(0))Be-8 S(E)-factor at zero energy and that from a previous THM investigation is quantitatively corroborated. The results obtained here support, within the experimental uncertainties, the low-energy S(E)-factor extrapolation and the value of the electron screening potential deduced from direct measurements.

Structure of (4S)-2,4-dimethyl-1,2-dihydropyrazino[2,1-b]quinazoline-3(4H),6-dione

C13HI3N302, orthorhombic, P2~2121, a = 17.443 (5), b = 11.650 (4), c = 5.784 (1)/~, Z = 4, d m = 1.456, d c = 1.429 Mg m -3, F(000) = 512, g(Cu Ka) = 0.843 mm-L The R index is 0.040 for 1358 significant reflections. The structure is stabilized by C-H...O interactions. The N-methylated eis peptide group which forms part of a six-membered ring is non-planar. The torsion angle about the peptide bond is -6.1 (4) ° and the peptide bond length is 1.337 (3) A.

Structure of (4S)-2,4-dimethyl-1,2-dihydropyrazino[2,1-b]quinazoline-3(4H),6-dione

C13HI3N302, orthorhombic, P2~2121, a = 17.443 (5), b = 11.650 (4), c = 5.784 (1)/~, Z = 4, d m = 1.456, d c = 1.429 Mg m -3, F(000) = 512, g(Cu Ka) = 0.843 mm-L The R index is 0.040 for 1358 significant reflections. The structure is stabilized by C-H...O interactions. The N-methylated eis peptide group which forms part of a six-membered ring is non-planar. The torsion angle about the peptide bond is -6.1 (4) ° and the peptide bond length is 1.337 (3) A.

The crystal and molecular structure of benzyloxycarbonyl-a-amino-isobutyryl-L-prolyl-methylamide. The observation of an X2-Pro3 Type III b-turn

The crystal and molecular structure of N-benzyloxycarbonyl-a-aminoisobutyryl-L-prolyl methylamide, the amino terminal dipeptide fragment of alamethicin, has been determined using direct methods. The compound crystallizes in the orthorhombic system with the space group P212-21. Cell dimensions are a = 7.705 A, b = 11.365 A, and c = 21.904 A. The structure has been refined using conventional procedures to a final R factor of 0.054. The molecular structure possesses a 4 - 1 intramolecular N-H--0 hydrogen bond formed between the CO group of the urethane moiety and the NH group of the methylamide function. The peptide backbone adopts the type 111 P-turn conformation, with 42 = -51.0°, +* = -39.7",&j = -65.0', $3 = -25.4'. An unusual feature is the occurrence of the proline residue at position 3 of the P-turn. The observed structure supports the view that Aib residues initiate the formation of type 111 @-turn conformations. The pyrrolidine ring is puckered in Cy-exo fashion.

The structure of 11[alpha]-hydroxycon-1,4-dienine-3-one monohydrate

C22H31NO2.H2 O, M r = 359" 5, orthorhombic,P2~212 ~, a= 10.032 (1), b= 11.186 (1), C = 17.980 (1)/~,, U= 2017.48/~3, Z = 4, D x = 1.276 Mg m -a, 2(Cu Kct) = 1.5418/~, # = 0.69 mm -~,F(000) = 784, T = 293 K. Final R = 0.05 for 1972 unique reflections with I > 3o(/). Ring A is planar, and rings B and C adopt a chair conformation. Rings D and E are envelopes, with C(14) and C(20) displaced from their respective ring planes by 0-616 (2) and 0.648 (3)/~. The A/B ring junction is quasi-trans,whilst ring systems B/C and C/D are trans fused about the bonds C(8)-C(9) and C(13)-C(14) respectively.The D/E junction shows cis fusion.

Copper( 11) Complexes of Novel Tripodal Ligands containing Phenolate and Benzimidazole/Pyridine Pendants: Synthesis, Structure, Spectra and Electrochemical Behaviour

Mononuclear copper(II) complexes of tri- and tetra-dentate tripodal ligands containing phenolic hydroxyl and benzimidazole or pyridine groups have been isolated. They are of the type (CuL(X)].nH2O, [CuL(H2O)]X.nH2O or [CuL].nH2O where X = Cl-, ClO4-, N3- or NCS- and n = 0-4. The electronic spectra of all the complexes exhibit a broad absorption band around 14000 cm-1 and the polycrystalline as well as the frozen-solution EPR spectra are axial, indicating square-based geometries. The crystal structure of [CuL(Cl)] [HL = (2-hydroxy-5-nitrobenzyl)bis(2-pyridyl-methyl)amine] revealed a square-pyramidal geometry around Cu(II). The mononuclear complex crystallises in the triclinic space group P1BAR with a = 6.938(1), b = 11.782(6), c = 12.678(3) angstrom and alpha = 114.56(3), beta = 92.70(2), gamma = 95.36(2)-degrees. The co-ordination plane is comprised of one tertiary amine and two pyridine nitrogens and a chloride ion. The phenolate ion unusually occupies the axial site, possibly due to the electron-withdrawing p-nitro group. The enhanced pi delocalisation involving the p-nitrophenolate donor elevates the E1/2 values. The spectral and electrochemical results suggest the order of donor strength as nitrophenolate < pyridine < benzimidazole in the tridentate and nitrophenolate < benzimidazole < pyridine in the tetradentate ligand complexes.

UV-B辐射和CO2浓度倍增对树木幼苗次生代谢的影响

为了揭示UV-B辐射（11.66KJ／m2.d）和CO2浓度倍增复合作用对树木幼苗次生代谢产物变化规律及其对生长发育的影响，在室外用开顶箱，对白桦、红皮云杉和红松幼苗进行了模拟研究。结果表明，三种幼苗针叶片酚类含量增幅和变化趋势均不同。白桦类黄酮含量和305nm吸收值变化不大，红皮云杉和红松后期增加明显。白桦总黄酮和邻苯二酚含量增幅大于红皮云杉和红松。白桦和红松Chl和Car含量呈下降趋势，红皮云杉后期略有增加。白桦休眠侧芽极性小的酚类物质增加明显，根系酚类略有增加，枝条酚类无变化。红松越冬侧芽酚类和邻苯二酚含量增加明显。复合处理使三种幼苗PAL活性增加。酚类物质含量与其清除O-2和OH的能力基本成量效关系。单位多酚清除OH能力，红皮云杉＞红松＞白桦；多酚与蛋白质结合能力，白桦＞红松＞红皮云杉；MDA增幅，红松＞白桦＞红皮云杉。三种幼苗SOD活性后期增加明显。邻苯二酚对Chl、SOD、CAT活性和PSII有破坏作用。白桦酚类物质对SOD和CAT活性有破坏作用。复合处理对高生长抑制的程度白桦大于红松，而对红皮云杉影响不显著，体现UV-B和CO2处理的相互抵消作用。白桦根部生物量增加。红松针叶伸长受到抑制。可见，UV-B和CO2处理诱导的次生产物与幼苗生长发育有关。

增强UV-B辐射对高山植物麻花艽净光合速率的影响

在高寒矮嵩草 (K obresia humilis)草甸地区以太阳短波辐射为背景 ,建立了人工增强 U V- B辐射的实验装置 ,每天增补 15 .8k J· m- 2 的辐射剂量 ,模拟平流层臭氧破坏约 5 %时近地表面太阳 UV- B辐射的增强。观测表明 :UV- B辐射的增强对麻花艽 (Gentiana straminea)植物的光合作用无明显的抑制或伤害作用。相反 ,在早晨补充UV- B辐射的短时间内 ,叶片的 Pn 随 Gs的增大而有所提高。随 UV- B辐射时间的延长 ,约在 11∶ 30～ 12∶ 30 ,Pn和Gs有所降低。U V- B辐射时间进一步延长后 (约 14∶ 0 0以后 ) ,处理和对照组叶片 Pn和 Gs的差异趋向不明显。增强太阳 UV- B辐射后 ,麻花艽叶片的光合色素并无明显变化 ,U V-B 吸收物质的含量也无明显变化。麻花艽叶片厚度的直接测量表明: 增强UV -B 辐射能明显提高叶片的厚度。叶片厚度的增加可补偿增强UV -B 辐射后引起的光合色素的光降解, 改善单位叶面积为基础的光合速率, 是高原植物对强UV-B 辐射的一种适应方式。

Vibrations in the B-4 rhombic structure

A double minimum six-dimensional Potential energy surface (PES) is determined in symmetry coordinates for the most stable rhombic (D-2h) B-4 isomer in its (1)A(g) electronic ground state by fitting to energies calculated ab initio. The PES exhibits a barrier to the D-4h square structure of 255 cm(-1). The vibrational levels (J=0) are calculated variationally using an approach which involves the Watson kinetic energy operator expressed in normal coordinates. The pattern of about 65 vibrational levels up to 1600 cm-1 for all stable isotopomers is analyzed. Analogous to the inversion in ammonia-like molecules, the rhombus rearrangements lead to splittings of the vibrational levels. In B-4 it is the B-1g (D-4h mode which distorts the square molecule to its planar rhombic form. The anharmonic fundamental vibrational transitions of B-11(4) are calculated to be (splittings in parentheses): G(O) = 2352(22) cm(-1), v(1)(A(1g)) - 1136(24) cm(-1,) v(2)(B-1g)=209(144) cm(-1) v(3)(B-2g)=1198(19)cm(-1), v(4)(B-2u) = 271(24) cm(-1), and v(5) (E-u) = 1030( 166) cm(-1) (D-4h notation). Their variations in all stable isotoporners were investigated. Due to the presence of strong anharmonic resonances between the B-1g in-plane distortion and the B-2u, out-of-plane bending modes. the hiaher overtones and combination levels are difficult to assign unequivocally. (C) 2005 American Institute of Physics.

A geometrical analysis of trajectory design for underwater vehicles

Designing trajectories for a submerged rigid body motivates this paper. Two approaches are addressed: the time optimal approach and the motion planning ap- proach using concatenation of kinematic motions. We focus on the structure of singular extremals and their relation to the existence of rank-one kinematic reduc- tions; thereby linking the optimization problem to the inherent geometric frame- work. Using these kinematic reductions, we provide a solution to the motion plan- ning problem in the under-actuated scenario, or equivalently, in the case of actuator failures. We finish the paper comparing a time optimal trajectory to one formed by concatenation of pure motions.

Revision total hip replacement using the cement-in-cement technique for the acetabular component : technique and results for 60 hips

The technique of femoral cement-in-cement revision is well established, but there are no previous series reporting its use on the acetabular side at the time of revision total hip arthroplasty. We describe the surgical technique and report the outcome of 60 consecutive cement-in-cement revisions of the acetabular component at a mean follow-up of 8.5 years (range 5-12 years). All had a radiologically and clinically well fixed acetabular cement mantle at the time of revision. 29 patients died. No case was lost to follow-up. The 2 most common indications for acetabular revision were recurrent dislocation (77%) and to compliment a femoral revision (20%). There were 2 cases of aseptic cup loosening (3.3%) requiring re-revision. No other hip was clinically or radiologically loose (96.7%) at latest follow-up. One case was re-revised for infection, 4 for recurrent dislocation and 1 for disarticulation of a constrained component. At 5 years, the Kaplan-Meier survival rate was 100% for aseptic loosening and 92.2% (95% CI; 84.8-99.6%) with revision for all causes as the endpoint. These results support the use of the cement-in-cement revision technique in appropriate cases on the acetabular side. Theoretical advantages include preservation of bone stock, reduced operating time, reduced risk of complications and durable fixation.