主动中子多重性铀质量测量模拟研究

中子多重性技术常用于测量和核查核材料,尤其针对具有较厚屏蔽的对象具有不可替代的优势。钚的自发裂变率较高,可以采用被动测量方法,目前已有多款不同的测量装置。然而铀材料的自发裂变率较低只能采用主动测量方法。现有的主动井型符合计数器（AWCC）能够进行主动中子多重性测量铀材料质量,但依然存在探测效率较低,Am-Li中子源产生偶然符合大等缺点。为提高铀材料测量的效率和精度,对主动中子多重性测量方法开展深入研究非常必要。本文参考AWCC模型,利用Geant4软件对探测器和粒子的输运过程进行建模。研究了多重性移位寄存器的不同符合门宽、不同延迟时间对铀测量结果相对偏差的影响规律。计数器的最佳门宽为44 μs,门宽取值范围在计数器衰减时间的1.5倍左右合适;延迟时间大于3倍计数器衰减时间后,相对偏差显著减少。最后讨论了235U富集度变化对主动中子多重性测量结果的影响。为后续主动中子多重性铀质量测量仪器的设计提供了参考。     

Nd2O3掺杂对SnO2气敏性质的影响

SnO_2是目前应用最广的一种气敏材料。我们曾经报道掺入La_2O_3,CeO_2,Pr_6O_(11),和Nd_2O_3后可使半导体元件的灵敏度提高,尤以对乙醇、乙醚、丙酮为显著。掺Nd_2O_3元件对乙炔的灵敏度也有提高。本文考察了SnO_2粒度和被测气氛的物化性质对掺Nd_2O_3元件灵敏度的影响。SnO_2采用水解SnCl_4法制备,纯度经光谱分析测定合格,试样用标准筛分目。在SnO_2中加1wt%Nd_2O_3(光谱纯)和适量水及甲基纤维素,混磨15分钟。将制成的悬浊液滴在一对铂     

Direct cross-coupling of aryl alkynyliodines with arylsulfinic acids leading to alkynyl sulfones under catalyst-free conditions

A facile and efficient one-pot method has been developed for the construction of alkynyl sulfones via direct cross-coupling reaction of aryl alkynyliodines and arylsulfinic acids. The present transformation could be accomplished under catalyst- and additive-free conditions, providing a series of alkynyl sulfones in moderate to good yields with favorable functional group tolerance.     

气相色谱-负化学源质谱联用法测定菊酯类农药

通过固相萃取-气相色谱-负化学离子源质谱技术建立了11种拟除虫菊酯类农药残留的检测方法，并应用于茶叶农残检测。样品经乙酸乙酯提取后，用串联的活性炭和中性氧化铝固相萃取柱选择性地富集茶叶中待测组分，再由气相色谱-负化学离子源质谱分时段选择离子监测技术进行测定。方法简单快速，一次进样就能得到11种菊酯残留结果；准确度和精密度高，在0．016μg／kg、0．032μg／kg和0．064μg／kg3个添加水平下的回收率在70％～110％之间，CV≤7．4％；选择性好，消除了色素和其它杂质干扰；灵敏度高，检出限低，除了氯菊酯为10μg／kg外，其它菊酯检出限都在μg/∥kg级，七氟菊酯则达到了0．02μg／kg。     

电热原子吸收法测定人发中硒时不同改进剂的研究

对于生物体中硒的测定,国内外已有大量报道,所用方法也相当广泛。本文利用石墨炉原子吸收对人发中硒的测定进行了研究;对使用较多的两种硒的基体改进剂:铜与镍的作用与效果进行了研究,发现铜较镍在某些方面更为优越。当选用100 μg/mL的铜作改进剂时,硒的特征浓度为0.13 ng/1％abs,测定精度为3.4％～5.4％;线性范围达400 ng。     

超高效液相色谱-高分辨质谱法测定蜂蜜中的3种马桑内酯

建立了采用超高效液相色谱-高分辨质谱测定蜂蜜中3种马桑内酯残留的方法。样品采用0.2 mol/L磷酸盐缓冲溶液(pH=7.5)提取,经Waters HLB小柱净化,以Phenomenex C18色谱柱进行色谱分离,通过高分辨质谱t-MS²负离子扫描模式进行定性和定量分析。结果表明3种目标化合物的检出限(LOD)均为0.05 mg/kg,定量限(LOQ)均为0.1 mg/kg。空白蜂蜜样品在0.1~0.5 mg/kg范围内的3个加标水平的平均回收率为86.3%~95.6%,相对标准偏差为3.0%~8.4%。应用该方法对从新西兰进口的麦卢卡蜂蜜进行检测,检出一份样品含羟基马桑毒素0.3 mg/kg。该方法适用于蜂蜜中马桑内酯残留的检测。     

辅酶B_(12)模型化合物研究 Ⅹ.Costa型模型化合物的合成、表征及电化学性质研究

合成了以 N,N′-双 (2 ,3-丁二酮 - 2 -亚胺 - 3-肟 )丙二胺为平面配体的烷基钴 Schiff碱一肟类 (Costa型 )模型化合物 [RCo(DO) (DOH) pn(H2 O) ] X,(R=n- C3 H7,n- C4H9,i- C4H9,n-C5H1 1 ,c- C6H1 1 ,CH2 C6H5.X=Cl O4-,PF-6)。用元素分析、紫外可见光谱和 1 H NMR进行了表征 ,并用循环伏安法研究了 [RCo(DO) (DOH) pn.H2 O] .Cl O4(R为上述六种烷基 )化合物的电化学性质 ,表明随烷基 R推电子能力增强 ,其氧化还原电位变负。     

Synthesis and Crystal Structure of Organocobalt(III) Complexes with Secondary Alkyls or Bulky Schiff Base Equatorial Ligands

Alkylcobalt(III) Schiff base B(12) model complexes with secondary alkyls or a bulky diamine in the equatorial position were synthesized and characterized. Structures have been first determined by X-ray diffraction analysis for i-C(4)H(9)Co(salen)(gamma-pic) (I), n-C(3)H(7)Co(salen)(gamma-pic) (II) and C(2)H(5)Co(SB) (III), where salen = N,N'-ethylenebis(salicylideneamine) dianion; SB = 1,1,2,2-tetramethyl-N,N'-ethylenebis(salicylideneamine) dianion, gamma-pic = gamma-picoline. Crystal data for I (CoC(26)N(3)O(2)H(30)): space group P2(1)/c with a = 6.661(5) ?, b = 18.612(2) ?, c = 19.533(3) ?, beta = 98.93(1) degrees, V = 2392.10 ?(3), D(calcd) = 1.320 g.cm(-3), Z = 4, and R = 0.048 for 4469 measured reflections. Crystal data for II (CoC(25)N(3)O(2)H(28)): space group P2(1)/c, a = 9.609(6) ?, b = 19.169(8) ?, c = 12.995(9) ?, beta = 106.9(7) degrees, V = 2290.4 ?(3), D(calcd) = 1.332 g.cm(-1), Z = 4, and R = 0.048 for 4358 measured reflections. Crystal data for III (CoC(22)N(2)O(2)H(27)): space group P2(1)/c, a = 8.318(3) ?, b = 21.579(2) ?, c = 11.572(2) ?, beta = 93.35(1) degrees, V = 2073.7 ?(3), D(calcd) = 1.314 g.cm(-1), Z = 4, and R = 0.060 for 3954 measured reflections. The crystal structure data reveal that complexes I and II display six-coordinate octahedral geometry; their Co-C, Co-N bond lengths, as well as the Co-C-C angles, are very close to those in 5'-deoxyadenosylcobalamin. Complex III is one of the very few compounds having five-coordinate square pyramidal geometry and observed instability of the Co-C bond.     

Amplification of Lipid Peroxidation by Regulating Cell Membrane Unsaturation To Enhance Chemodynamic Therapy

Lipid peroxidation (LPO) is one of the most damaging processes in chemodynamic therapy (CDT). Although it is well known that polyunsaturated fatty acids (PUFAs) are much more susceptible than saturated or monounsaturated ones to LPO, there is no study exploring the effect of cell membrane unsaturation degree on CDT. Here, we report a self-reinforcing CDT agent (denoted as OA@Fe-SAC@EM NPs), consisting of oleanolic acid (OA)-loaded iron single-atom catalyst (Fe-SAC)-embedded hollow carbon nanospheres encapsulated by an erythrocyte membrane (EM), which promotes LPO to improve chemodynamic efficacy via modulating the degree of membrane unsaturation. Upon uptake of OA@Fe-SAC@EM NPs by cancer cells, Fe-SAC-catalyzed conversion of endogenous hydrogen peroxide into hydroxyl radicals, in addition to initiating the chemodynamic therapeutic process, causes the dissociation of the EM shell and the ensuing release of OA that can enrich cellular membranes with PUFAs, enabling LPO amplification-enhanced CDT.     

爆炸与冲击问题的大规模高精度计算

爆炸与冲击问题的数值模拟在国防和民用安全领域具有重要的工程实用价值.由于爆炸与冲击问题是一个多物质在高应变率、高温及高压条件下的强非线性的瞬态动力学问题,给数值模拟带来了很多的困难,为此,针对爆炸与冲击问题数值模拟中的一些关键和难点问题开展了研究.提出了三维非线性双曲守恒系统的伪弧长自适应网格算法,分析了算法的实现过程,数值结果表明该算法有效地提高了冲击波强间断处的分辨率.发展了针对气相爆轰数值模拟的附加龙格-库塔方法,对非线性对流项进行显示计算,化学反应源项进行半隐式计算,有效地解决了源项引起的刚性问题,计算结果表明该算法可以准确地捕捉和描述爆轰波的复杂结构和典型特征.针对三维工程实际物理问题中的大规模计算需求,给出了三维多物质流体动力学欧拉数值方法的并行化方法,开发了三维爆炸与冲击问题并行计算程序,并给出了针对该并行程序的测试方法.上述工作有利地解决了爆炸与冲击问题大规模、高精度计算中的一些难题.最后,开展了大口径聚能射流侵彻混凝土靶问题的数值模拟和实验研究,通过典型爆炸与冲击工程问题的计算验证了所研究数值方法的有效性.