海绵Phacelliafusca中含氮化合物的分离与结构鉴定

从采自中国南海西沙群岛海域的海绵Phacellia fusca Schmidt中得到4个含氮 化合物。经~1H NMR,~(13)C NMR,HMQC,HMBC,~1H-~1HCOSY,FABMS和EIMS等光谱分析 ，确证其结构分别为：N,N'-二[2-乙氧基-1（Z）-乙烯基]脲（1），2- Bromoaldisin(2),Aldisin(3)Dibromophakellin盐酸盐(4)。其中化合物1为一具有 对称结构的新脲类化合物，命名Phacelliaurea A；化合物4是首次从该海绵中分离 得到的已知胍基生物碱，首次报到了它的~(13)C NMR数据及其归属。     

树枝形聚合物修饰的双8-羟基喹啉光物理研究

研究了树枝形聚合物修饰的双8-羟基喹啉衍生物(Gn-QMQ, n=1~3)在二氯甲烷和乙腈中的荧光猝灭过程和荧光衰减过程. 随着代数n的增加, 猝灭速率常数减小, 核心双8-羟基喹啉基团荧光寿命增长, 非辐射失活速率常数减小. 研究结果表明, 随着代数的增加, 树枝形骨架对核心基团的位点分离作用增大, 在乙腈中树枝形骨架趋于紧密构象, 具有更强的位点分离作用.     

Synthesis,Crystal Structure and Anticoagulant Activity of 5-Chloro-N-[[（5S）-2-oxo-3-[4-（2- oxopyridin-1 （2H）-yl）phenyl] oxazolidin-5- yl] methyl] thiophene-2-carboxamide①

The title compound(zifaxaban 2, C20H16ClN3O4 S, Mr = 429.87) was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. Zifaxaban crystallizes in monoclinic, space group P21 with a = 5.7900(12), b = 13.086(3), c = 12.889(3) A, β = 100.86(3)°, V = 959.1(3) A3, Z = 2, Dc = 1.489 g/cm3, F(000) = 444, μ = 0.342 mm-1, the final R = 0.0320 and wR = 0.0640 for 2717 observed reflections(I 2σ(I)). The absolute configuration of the stereogenic center in the title compound was confirmed to be S by single-crystal X-ray diffraction. Four existing intermolecular hydrogen bonds help to stabilize the lattice and the molecule in the lattice to adopt an L-shape conformation. Zifaxaban was slightly more active than rivaroxaban 1 in in vitro assay against human FXa and therefore is promising as a drug candidate.     

高中化学项目教学案例——探寻柠檬水中的维生素C

选取“维生素C”这一生活中常见的还原性物质,面向已经学习“氧化还原反应”基础知识的高一年级学生开展项目教学活动。通过提出项目问题、师生共同拆解项目问题设计研究方案和子任务、学生实施子任务研究等项目教学环节,在形成相应子任务成果的同时,进一步帮助学生巩固从氧化性和还原性视角认识化学物质性质的认识角度,建立基于物质性质定量分析目标物质含量的实验思路和思维框架,提升学生对于氧化还原反应功能和价值的认识。     

高压烧结法合成致密纳米BaTiO3陶瓷结构和铁电性能研究

 在6 GPa压力、1 000 ℃温度条件下制备了致密的纳米BaTiO₃陶瓷，合成样品的平均晶粒尺寸为50 nm，理论密度在97%以上。通过介电测量，观察到了样品宽化的相变峰，它与粗晶陶瓷的相变峰大不相同。由于90°电畴的减少和退极化场的存在，观察到了细长的电滞回线，它是样品铁电性存在的有力证据，表明钛酸钡陶瓷的临界尺寸在50 nm以下。     

Ferroelectric behaviour of 30nm BaTiO3 ceramics prepared by high pressure assisted sintering

Dense nanocrystalline BaTiO3 ceramics with a homogeneous grain size of 30 nm was obtained by pressure assisted sintering. The ferroelectric behaviour of the ceramics was characterized by the dielectric peak at around 120 ℃, the P-E hysteresis loop and some ferroelectric domains. These experimental results indicate that the critical grain size for the disappearance of ferroelectricity in nanocrystalline BaTiO3 ceramics fabricated by pressure assisted sintering is below 30 nm. The ferroelectric property decreasing with decreasing grain size can be explained by the lowered tetragonality and the ＇dilution＇ effect of grain boundaries.     

质子衰变实验进展

按照粒子物理标准模型理论,重子数是绝对守恒的.而大统一理论(GUTs)明确地否定了重子数的对称性,预言质子会衰变成更轻的次粒子.文章论述了质子衰变的物理概念、基本探测条件和主要实验现状,并在探测方法的探讨和探测技术的改进方面融入了一些想法.目前一般认为质子的寿命为τp>1032年左右.质子衰变的探测,对于新理论模型的验证、宇宙学和粒子物理学的发展具有重要意义.     

Charge delocalization in a cyclometalated bisruthenium complex bridged by a noninnocent 1,2,4,5-tetra(2-pyridyl)benzene ligand

Two ruthenium atoms are covalently connected to the para positions of a phenyl ring in 1,2,4,5-tetra(2-pyridyl)benzene (tpb) to form a linear Ru-tpb-Ru arrangement. This unique structure leads to appealing electronic properties for the biscyclometalated complex [(tpy)Ru(tpb)Ru(tpy)](2+), where tpy is 2,2';6',2″-terpyridine. It could be stepwise oxidized at substantially low potential (+0.12 and +0.55 V vs Ag/AgCl) and with a noticeably large comproportionation constant (1.94 × 10(7)). In addition to the routinely observed metal-to-ligand charge-transfer transitions, [(tpy)Ru(tpb)Ru(tpy)](2+) displays a separate and distinct absorption band at 805 nm with appreciable absorptivity (ε = 9000 M(-1) cm(-1)). This band is assigned to the charge transition from the Ru-tpb-Ru motif to the pyridine rings of tpb with the aide of density functional theory (DFT) and time-dependent DFT calculations. Complex [(tpy)Ru(tpb)Ru(tpy)](2+) was precisely titrated with 1 equiv of cerium ammonium nitrate to produce [(tpy)Ru(tpb)Ru(tpy)](3+), which shows intense multiple NIR transitions. The electronic coupling parameters H(ab) of individual NIR components are determined to be 5812, 4942, 4358, and 3560 cm(-1). DFT and TDDFT calculation were performed on [(tpy)Ru(tpb)Ru(tpy)](3+) to elucidate its electronic structure and spin density population and the nature of the observed NIR transitions. Electron paramagnetic resonance studies of [(tpy)Ru(tpb)Ru(tpy)](3+) exhibit a discernible rhombic signal with the isotropic g factor of ?g? = 2.144. These results point to the strong orbital interaction of tpb with metal centers and that tpb behaves as a redox noninnocent bridging ligand in [(tpy)Ru(tpb)Ru(tpy)](2+). Complex [(tpy)Ru(tpb)Ru(tpy)](3+) is determined to be a Robin-Day class III system with full charge delocalization across the Ru-tpb-Ru motif.     

大功率0.34 THz辐射源中慢波结构的优化设计

为研制大功率太赫兹源, 提出以切连科夫表面波振荡器为基础, 采用过模结构来研究0.34 THz信号的产生. 重点研究了慢波结构的各参数对器件输出性能的影响, 对慢波结构进行了优化设计, 并采用数值模拟方法, 对慢波结构实际参数的选取和实验中所允许的加工精度提了具体要求; 最后采用粒子模拟对该结构进行了"热腔"模拟计算. 结果表明该结构能够产生频率为0.34 THz, 输出功率约为7.8 MW的太赫兹信号, 并且稳定工作于表面波振荡器状态. 该结果为下一步0.34 THz太赫兹源的研制奠定了基础. 关键词： 表面波振荡器 慢波结构 太赫兹 粒子模拟     

0.14THz高功率太赫兹脉冲的频率测量

提出了采用截止波导法与谐波混频法相结合的方式,进行0.14THz高功率短脉冲的频率测量.首先将两个截止频率分别为0.125和0.15THz的非标准矩形波导作为接收端,通过截止波导滤波法获得了太赫兹辐射源的频率范围.然后根据已知的频率范围,将本振频率选择为15—20GHz,则谐波混频的谐波次数确定为8.随后的Ka波段的脉冲测试和0.14THz连续波测试表明,该8次谐波混频器可用于0.14THz脉冲的混频测量.最后,0.14THz脉冲频率测量实验给出了太赫兹辐射源的准确频率为0.1465THz.该方法大大降低了对本振信号的频率要求,且结果准确可信,为长波段太赫兹脉冲的频率测量提供了一种新的思路.