9,9‐Dimethoxy‐7,11‐diphenyl‐2,4‐diazaspiro[5.5]undecane‐1,3,5‐trione monohydrate

Due to steric repulsions, the cyclo­hexane ring in the title compound, C₂₃H₂₄N₂O₅·H₂O, shows some bond‐length abnormalities and adopts a chair conformation. The pyrimidine and cyclo­hexane rings are approximately perpendicular to each other, and the phenyl rings are equatorial. C—H?π and N—H?O intermolecular interactions, as well as C—H?O inter‐ and intramolecular interactions, occur between the mol­ecules. In addition to van der Waals interactions, the water mol­ecule interacts with the pyrimidine­trione ring to stabilize the structure.     

2‐Hydro­xy‐3‐(4,5,6,7‐tetra­hydro‐1H‐imidazo­[4,5‐c]­pyridin‐5‐ium‐4‐yl)­benzoate monohydrate

The title mol­ecule, C₁₃H₁₃N₃O₃·H₂O, is in the form of a mono­hydrated zwitterion. The tetra­hydro­pyridinium ring adopts an envelope conformation and is nearly coplanar with the plane of the imidazoline ring. The water solvate mol­ecule plays an important role as a bridge between zwitterions, forming molecular chains running along the c direction, which are interconnected by N—H?O hydrogen bonds into molecular ribbons. The crystal packing is further stabilized by another N—H?O and one O—H?N hydrogen bond, which interconnect the molecular ribbons.     

The Synthesis of Gracillin and Dioscin：TWO Typical Representatives of Spirostanol Glycosides

Two spirostanol saponins(gracillin and dioscin)which have the typical sugar moieties were synthesized facilely by a general approach.     

4‐[3‐(3,4‐Di­methoxy­phenyl)­prop‐2‐enoyl]­phenyl methacryl­ate and 4‐[3‐(2‐bromo­phenyl)­prop‐2‐enoyl]­phenyl methacryl­ate

Chalcones (α,β‐unsaturated ketones) are effective antitumour agents. It has been proved that having halogen or methoxy groups substituted in various positions of the phenyl ring enhances the activity of chalcones many times. The title compounds, C₂₁H₂₀O₅ and C₁₉H₁₅BrO₃, respectively, were chosen for crystallographic study in order to determine their structures and conformations. In both compounds, the keto group is in the s‐cis conformation and is almost planar. There are weak intramolecular interactions in both structures.     

有机锆交联剂的制备及其性能

随着油田深部调剖应用的不断推广，以及环保要求的提高，适用于深部调剖调驱体系的低污染有机锆交联剂逐渐受到关注。以ZrOCl₂·8H₂O、乳酸、乙二胺、硫脲为原料，制备了有机锆交联剂和HPAM-锆交联凝胶，其结构和性能经SEM和岩心驱替装置表征。并利用正交实验法优化了制备条件。结果表明：制备有机锆交联剂的最佳条件为：氧氯化锆、乳酸、乙二胺及硫脲的质量比为7.8/1/6.7/5，反应温度为70 ℃，反应时间为3 h。交联温度为60 ℃，HPAM浓度为2 g·L^-1、聚锆比为30/1时，聚合物凝胶成胶强度达到24968 mPa·s，成胶时间约8 h，凝胶体系可维持90 d不破胶。在级差为3.9的双管驱替岩心实验中，两管的岩心分流率均接近50%，剖面改善率达到66.77%。     

纳米尺寸团簇NinZrn(n=3～5)的几何结构与成键规律研究

根据化学键理论与拓扑原理，设计了团簇NinZrn(n=3-5)的可能几何构型，并用从头算方法进行构型优化，结果表明，由NiZr组成的团簇原子间的Zr-Zr和Zr-Ni键明显较强，而Ni-Ni的成键较弱，并发与NinZrn(n=3-5)团簇电子性质与有机烯烃分子等瓣相似，原子之间的成键按照强弱相间的规则分布。     

Synthesis and Crystal Structure of a Novel Polymeric Lead(II) Compound: [Pb2(phen)2(N3)3(ClO4)]n

A 2D lead(II) coordination polymer [Pb₂(phen)₂(N₃)₃(ClO₄)]_n,( 1 ) containing 1,10‐phenanthroline (phen) and two different anions, has been synthesized and characterized by elemental analysis, IR and ¹H NMR spectroscopy and X‐ray crystallography. The single‐crystal X‐ray data show two different kinds of Pb²⁺ ions with coordination numbers of eight, Pb1 = PbN₆O₂ and Pb2 = PbN₈, with hemidirected and holodirected structures, respectively. The supramolecular features in 1 is negiotated through the weak but directional C‐H···O and C‐H···N interactions and aromatic π–π stacking interactions.     

Modeling research in low-medium temperature geothermal field, Tianjin

The geothermal reservoir in Tianjin can be divided into two parts: the upper one is theporous medium reservoir in the Tertiary system; the lower one includes the basement reservoir inLower Paleozoic and Middle-Upper Proterozoic. Hot springs are exposed in the northern mountainand confined geothermal water is imbedded in the southern plain. The geothermal reservoir is in-cised by several fractures. In recent years, TDS of the geothermal water have gone up along withthe production rate increasing, along the eastern fracture zone (Cangdong Fracture and West Bai-tangkou Fracture). This means that the northern fracture system is the main seepage channel ofthe deep circulation geothermal water, and the reservoir has good connection in a certain area anddefinite direction. The isotopic research about hydrogen and carbon chronology indicates that themain recharge period of geothermal water is the Holocene Epoch, the pluvial and chilly period of20 kaBP. The karst conduits in weathered carbonate rocks of the Proterozoic and Lower Paleozoicand the northeast regional fracture system are the main feeding channels of Tianjin geothermalwater. Since the Holocene epoch, the geothermal water stayed at a sealed warm period. Thetracer test in WR45 doublet system shows that the tracer test is a very effective measure forunderstanding the reservoir's transport nature and predicting the cooling time and transportvelocity during the reinjection. 3-D numerical simulation shows that if the reinjection well keeps asuitable distance from the production well, reinjection will be a highly effective measure to extractmore thermal energy from the rock matrix. The cooling of the production well will not be a problem.     

橡胶接枝苯乙烯本体共聚合全程动力学研究(Ⅰ)--接枝行为

橡胶接枝苯乙烯本体聚合的研究目前主要集中于预聚阶段接枝动力学和聚合条件对相转变的影响[1]. 对于后聚阶段, 即相转变后的接枝行为, 尤其是接枝率与橡胶相内包容物的关系、接枝率与高转化率聚合动力学的关系, 接枝率与橡胶相结构的关系等则研究很少. 这些因素对最终聚合物的性能起着至关重要的作用, 因此, 研究橡胶接枝苯乙烯本体聚合相转变以后接枝率的变化, 并找出橡胶相形态演绎过程的规律很有意义.     

Terpenoids from the Roots of Ligularia muliensis

Three new eremophilane‐type sesquiterpenes, (6β,8α)‐6‐(acetyloxy)‐8‐hydroxyeremophil‐7(11)‐en‐12,8‐olide ( 1 ), (6α,8α)‐6‐hydroxyeremophil‐7(11)‐en‐12,8‐olide ( 2 ), and (6α,8α)‐6‐(acetyloxy)eremophil‐7(11)‐en‐12,8‐olide ( 3 ) ((8α)‐eremophil‐7(11)‐en‐12,8‐olide = (4aR,5S,8aR,9aS)‐4a,5,6,7,8,8a,9,9a‐octahydro‐3,4a,5‐trimethylnaphtho[2,3‐b]furan‐2(4H)‐one), besides the recently elucidated eremoligularin ( 4 ) and bieremoligularolide ( 5 ), as well as a new highly oxygenated monoterpene, rel‐(1R,2R,3R,4S,5S)‐p‐menthane‐1,2,3,5‐tetrol ( 12 ), together with six known constituents, i.e., the sesquiterpenes 6 and 7 , the norsesquiterpenes 8 – 10 , and the monoterpene 13 , were isolated from the roots of Ligularia muliensis. In addition, an attempt to dimerize 1 to a bieremophilenolide (Scheme) resulted in the generation of the new derivative (6β,8β)‐6‐(acetyloxy)‐8‐chloroeremophil‐7(11)‐en‐12,8‐olide ( 11 ). The new structures were established by means of detailed spectroscopic analysis (IR, FAB‐, EI‐, or HR‐ESI‐MS as well as 1D‐ and 2D‐NMR experiments). Compounds 4 and 5 were evaluated for their antitumor effects in vitro (Table 3).