High-resolution bone microstructure imaging based on ultrasonic frequency-domain full-waveform inversion

The main challenge in bone ultrasound imaging is the large acoustic impedance contrast and sound velocity differences between the bone and surrounding soft tissue. It is difficult for conventional pulse-echo modalities to give accurate ultrasound images for irregular bone boundaries and microstructures using uniform sound velocity assumption rather than getting a prior knowledge of sound speed. To overcome these limitations, this paper proposed a frequency-domain fullwaveform inversion(FDFWI) algorithm for bone quantitative imaging utilizing ultrasonic computed tomography(USCT).The forward model was calculated in the frequency domain by solving the full-wave equation. The inverse problem was solved iteratively from low to high discrete frequency components via minimizing a cost function between the modeled and measured data. A quasi-Newton method called the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm(L-BFGS) was utilized in the optimization process. Then, bone images were obtained based on the estimation of the velocity and density. The performance of the proposed method was verified by numerical examples, from tubular bone phantom to single distal fibula model, and finally with a distal tibia-fibula pair model. Compared with the high-resolution peripheral quantitative computed tomography(HR-p QCT), the proposed FDFWI can also clearly and accurately presented the wavelength scaled pores and trabeculae in bone images. The results proved that the FDFWI is capable of reconstructing high-resolution ultrasound bone images with sub-millimeter resolution. The parametric bone images may have the potential for the diagnosis of bone disease.     

无溶剂NH2SO3H催化下超声促进环酮与芳香醛的Aldol缩合

以NH₂SO₃H作催化剂, 在无溶剂条件下用超声技术合成了一系列α,α'-双亚苄基环酮衍生物, 反应在15～45 min内完成, 产率76%～92%, 后处理简便, 且对环境友好.     

川东北元坝地区陆相气地球化学特征及来源

川东北元坝地区近年来在上三叠统须家河组（T3x）及中下侏罗统千佛崖组（J2q）和自流井组（J1z）陆相地层发现工业性气藏.它们的化学成分和碳同位素组成存在明显差别,具有不同的成因和来源.须家河组天然气烷烃中以甲烷为主,干燥系数在0.96以上.其上、下部地层天然气碳同位素组成变化显著,T3x3~5气层乙烷碳同位素较重,δ13C2值（-25.2‰~-20.7‰）均大于-26‰,为典型的高 过成熟煤型气;而T3x1~2天然气δ13C2值大多数小于-28‰,主要在-32‰~-28‰,具有高 过成熟煤型气与过成熟油型气混合气的特点.J1z地层天然气干燥系数大都在0.95以上,δ13C2值在-28.2‰~-21.4‰,属不同成熟度的煤型混合气.J2q地层天然气干燥系数都在085以下,热演化程度较低.其乙烷δ13C值分布在-32.3‰~-31.4‰,为典型的（高）成熟油型气.在对天然气区域性对比基础上,通过与本区烃源岩的碳同位素组成的对比认为,T3x3~5天然气源自本层位煤系烃源岩,而T3x1~2天然气除源于所在地层气源外,可能混有下部海相天然气;侏罗系天然气主要为自生自储气.     

皮肤的光学性质研究

为了确认通过皮肤进行基于卟啉荧光的元创恶性肿瘤诊断的可行性,应用光谱法分析研究了人皮肤的光学特性。通过测量皮肤的反射光谱、透射光谱和荧光光谱分析确定皮肤中的发光物质及其光谱对卟啉荧光的影响。用280nm激发光对皮肤进行激发,测到皮肤在360nm发出的荧光。与牛血清白蛋白的荧光光谱比较,确定发光物质是某类蛋白质。选择350nm激发光对皮肤进行激发,测得了与离体类胡萝卜素荧光452nm相同的荧光,所以皮肤中的发光物质有类胡萝卜素。光谱分析还表明,皮肤的荧光中还有弹性蛋白和还原型烟酰胺腺嘌呤二核苷酸(NADH)的荧光发射,荧光峰分别在400,460nm。黑色素不发荧光,但皮肤中可能还存在氧化的黑色素,它的荧光波长是580nm,这些都与卟啉的荧光波长不同。由此可见皮肤中发光物质不会影响卟啉荧光的探测。由皮肤的透射光谱观察到,卟啉的荧光波长恰好在皮肤的透射窗口内,从而进一步确定了卟啉荧光的无创探测的可能性。     

2,4-二羟基苯乙酮缩异烟酰腙的实验和DFT理论研究:合成、晶体结构和性质及量化计算

合成了一种酰腙类Schiff碱2,4-二羟基苯乙酮缩异烟酰腙(C₁₄H₁₃N₃O₃,H₂L),经元素分析、红外光谱、紫外光谱、荧光光谱和热重分析等技术手段进行了表征。 用X射线单晶衍射测定了它的晶体结构,该晶体属单斜晶系,C2/c空间群,晶胞参数a=2.0102(2) nm,b=0.75891(8) nm,c=1.9530(2) nm,α= 90°,β=111.481(12)°,γ=90°,V=2.7725(5) nm³,Z=4,D_c=1.4292 g/cm³,R₁=0.0422,wR₂=0.1113,F(000)=1256。 同时进行了量子化学计算研究。 使用Gaussian09量子化学程序包, 在密度泛函理论(DFT)的B3LYP/6-31G(d)水平,对化合物的分子结构进行全参数优化计算,获得了热力学参数和几何结构参数,对分子的总能量及前线分子轨道、Mulliken电荷分布进行了分析讨论;同时,用TD-DEF方法计算了化合物的电子吸收光谱和荧光发射光谱。     

悬浮固化分散液液微萃取-高效液相色谱法测定水体中邻苯二甲酸酯

建立了悬浮固化分散液液微萃取（SFO-DLLME）结合高效液相色谱（HPLC）快速测定水样中6种邻苯二甲酸酯（PAEs）的分析方法。通过对影响萃取效率因素的优化,确定了最佳萃取条件：十二烷醇萃取剂20 μL、萃取温度60℃、离子强度20 g/L、萃取时间1 min。6种PAEs在2~2000 μg/L范围内呈良好的线性关系,相关系数（r）为0.9995~0.9999,检出限（S/N=3）为0.3~0.6 μg/L。对自来水、湖水、江水、污水、海水、市售塑料瓶装纯净水和矿泉水进行测定,能检测到部分PAEs。对加标水样进行回收率试验（10、100和1000 μg/L）,6种PAEs的回收率为84.9%~94.5%,相对标准偏差为4.1%~6.8%（n=5）。该法环保、简单,可用于实际水样中6种PAEs的检测分析。     

近红外光谱技术快速检测莲子粉

莲子是我国重要的药食同源食物,与莲子营养价值相当、便于食用的莲子粉备受消费者青睐。为保证莲子粉的品质,利用近红外光谱(NIRs)技术对掺杂小麦粉、玉米粉和地瓜粉的莲子粉进行鉴定,在样品类别已知下利用支持向量机(SVM)、最小二乘支持向量机(LS-SVM)、偏最小二乘法-判别分析(PLS-DA)模型进行判别,在样品类别未知下基于聚类算法进行判别。同时,对莲子粉中水分含量利用偏最小二乘(PLS)回归进行定量分析。结果表明,LS-SVM模型对纯莲子粉样品与掺入小麦粉、玉米粉和地瓜粉的莲子粉样品的判别率达到100%;基于聚类算法能够有效识别掺入5%地瓜粉、小麦粉和玉米粉的莲子粉样品;PLS模型对莲子粉中水分含量预测综合性能良好,其中经过标准化预处理得到模型效果最佳,其R2_c,RMSEC,R2_p和RMSEP分别达到0.973 2,0.111 5,0.969 5和0.118 9。近红外光谱技术能为隐蔽的莲子粉掺杂的鉴别以及莲子粉中水分含量监控提供一种快速、准确、无损检测的分析方法,为保证高档次莲子品质提供一种有益的思路。     

Multiple-cell elements and regular multifractals

Based on fractal super fibers and binary fractal fibers, the following objectives are approached in this paper： First, the concept of multiple-cell elements is induced and abstracted. Second, through multiple-cell elements, the constructability of regular multifractals with strict self-similarities is confirmed, and the universality of the con- struction mode for regular multifractals is proved. Third, through the construction mode and multiple-cell elements, regular multifractals are demonstrated to be equivalent to generalized regular single fractals with multilayer fine structures. On the basis of such equivalence, the dimension formula of the regular single fractal is extended to that of the regular multifractal, and the geometry of regular single fractals is extended to that of regular multifractals. Fourth, through regular multifractals, a few golden fractals are constructed.     

木炭还原氧化铜实验改进2例

针对初三化学教材中木炭还原氧化铜实验的不足之处,分别从仪器改进、药品添加方法、药品配比及用量4个方面进行了改进。改进后的2个实验具有操作简便、安全,实验完成时间短,现象明显等特点,便于开展学生分组实验。     

小檗碱与人免疫球蛋白在仿生膜中的相互作用

利用荧光光谱、圆二色谱(CD)和动态激光散射技术研究了小檗碱与人免疫球蛋白(HGG)在以双(2-乙基己酯)-磺酸基琥珀酸钠(AOT)/异辛烷/水微乳液为膜的模拟环境下的结合反应. 通过Scatchard方程分别计算了不同温度下的反应结合常数. CD光谱结果表明: 小檗碱与HGG键合改变了蛋白原有的构象. 同时由热力学结果可知, 小檗碱与HGG之间的相互作用主要以疏水作用为主, 同时存在静电作用力和氢键作用力. 动态激光散射结果进一步证明了药物与HGG在微乳液中的相互作用. 通过计算机模拟技术, 在不考虑环境影响的条件下从理论上探讨了HGG与小檗碱的结合区域和结合模式.