固体力学跨尺度计算若干问题研究

本文展示了固体力学领域跨尺度计算的若干问题和研究概况。（1）建立位错动力学与有限元耦合DDD-FEM的计算模型,实现了能够基于纳米尺度离散位错运动机制计算分析连续介质有限变形晶体塑性问题,提出微纳尺度（200 nm~10 μm）晶体塑性流动应力解析公式,结合试验数据揭示了在无应变梯度下强度和变形的尺寸效应;（2）建立具有微相分离结构的纳米尺度粗粒化分子动力学模型CG-MD,计算获得聚脲材料在时域和频域下的存储模量和损耗模量,通过动态加载分析的DMA试验和超声波试验的数据验证,解决了连续介质尺度下微相分离高分子共聚物的设计难题;（3）通过数据驱动关联高分辨率的微米尺度CT影像和临床低分辨率的毫米尺度CT影像的特征值,建立了围关节松质骨小梁的等效模量和结构张量,为骨组织增材制造点阵结构设计和实现个性化骨缺损重建奠定了基础。     

Latent tracks generated in micro-crystalline α-L-alanine and standard bone powder by Co ion beams as investigated by EPR-method

Latent tracks created by ⁵⁹Co ions in l-α-alanine and standard bone powder were examinated by EPR-method. For 3.4 MeV/amu cobalt ions the mean radius of tracks (considered as the distance from the ion path on which a detectable concentration of paramagnetic centers exists) was estimated as (190±30) Å for l-α-alanine and (220±30) Å for bone powder.     

Distinction between normal and leukemic bone marrow by water protons nuclear magnetic resonance relaxation times

Pulsed nuclear magnetic resonance studies have been carried out on bone marrow of normal human subjects and patients with leukemia: chronic myeloid leukemia (CML) and acute myeloid leukemia (AML). It was observed that the proton spin-lattice relaxation time (T₁) value was discriminatory in the normal and leukemic cases with a statistical significance of (p < 0.01). Ouabain treatment of cells did not show any perceptible change of T₁ value when compared with the nontreated cells, indicating that the concomitant cation effluxes do not affect spin-lattice relaxation time. The water contents of normal, leukemic, and ouabain treated cells were in the range 60%–80%. Higher Fe levels were encountered in the normal than the leukemic samples, while levels of Zn, Cu, Mn, Co, and Ni were elevated in the leukemic samples compared with the normals. Despite the T₁ differences observed, the multiparameter studies do not uniquely pinpoint factors responsible for the elevation of T₁ in the malignant state.     

环磷酰胺诱导的小鼠骨髓细胞微核率的时间、剂量-效应观察

为研究环磷酰胺(CP)诱导的小鼠骨髓细胞微核率的时间-效应关系和剂量-反应关系,给小鼠一次腹腔注射不同剂量(按体质量计)CP(0、30、60、90 mg/kg)后,于不同时间(给药后12、24、36、486、0 h)、不同部位(胸骨与股骨)取材来观察小鼠骨髓细胞微核率的变化。结果表明,高、中、低三个剂量组的小鼠骨髓细胞微核率与0 mg/kg组相比较,其差异具有统计学意义(P<0.01),且4个剂量组之间两两比较也均有统计学意义(P<0.05),并表现出明显的剂量-反应关系;不同取样时间对小鼠骨髓细胞微核率的影响具有统计学意义(P<0.05),在36~48 h这个时间段能够观察到更高的微核率,通过线性回归的曲线拟合分析,以41 h取材最佳;胸骨取材与股骨取材之间的微核率差异无统计学意义(P>0.05)。环磷酰胺可作为诱导小鼠骨髓细胞微核的阳性对照,在一定范围内,具有剂量-反应关系和时间-效应关系。给小鼠一次腹腔注射量(按体质量计)60~90 mg/kg后36~48 h胸骨取材可取得较高微核率,结果满意。     

Biomimetic strengthening polylactide scaffold materials for bone tissue engineering

In this paper, a new polylactide (PLA)-based scaffold composite by biomimetic synthesis was designed. The novel composite mainly consists of nano-hydroxyapatite (n-HA), which is the main inorganic content in natural bone tissue for the PLA. The crystal degree of the n-HA in the composite is low and the crystal size is very small, which is similar to that of natural bone. The compressive strength of the composite is higher than that of the PLA scaffold. Using the osteoblast culture technique, we detected cell behaviors on the biomaterial in vitro by SEM, and the cell affinity of the composite was found to be higher than that of the PLA scaffold. The biomimetic three-dimensional porous composite can serve as a kind of excellent scaffold material for bone tissue engineering because of its microstructure and properties. Translated from Journal of Hunan University (Natural Sciences), 2006, 33(2) (in Chinese)     

古人类骨骼中微量元素的分析及其与古代食谱的关联

采用等离子体质谱(ICP-Ms)法对三峡地区及长江下游地区出土的古墓中的人体骨骼中的微量元素Zn、Sr、Ba、Ca进行了分析，并与原子吸收光谱(AAS)对照，结果表明：ICP-MS是骨化学微量元素分析很好的方法，它相对FAAS，具有灵敏度高，检出限低，可快速进行多元素检测等优点，对溶液中元素的检出限可达到ng/L数量级，对元素的高含量和低含量都能进行准确测量。本实验以Zn、Sr、Ba、Ca为指示剂，根据其测量结果，还对上述两地区的古人类食谱进行了初步探讨。     

去卵巢大鼠骨基质明胶修复骨缺损骨痂的矿物质元素分析

应用等离子体发射光谱仪测定了去卵巢水平下骨基质明胶修复大鼠颅骨骨缺损新生骨痂的矿物质元素含量。将28只雌性SD大鼠随机分为2组。去卵巢组切除双侧卵巢，伪手术对照组保留卵巢。术后4周在颅骨上制备骨缺损并同期植入骨基质明胶。8周后，测定新生骨痂的矿物质元素含量。结果显示，去卵巢大鼠新生骨痂的S、Ca、P、Zn、Fe和Cu含量较伪手术组显著降低。实验表明雌激素水平影响骨基质明胶修复骨缺损骨痂的矿物质元素含量。     

Structural forms of fluorides in bone tissue of animals under chronic fluoride intoxication

High-resolution solid-state ¹⁹F NMR method has been used to examine the chemical structural forms of fluorine introduced into the bone tissue of experimental animals (Vistar rats) exposed to 30 day fluoride inhalation. It is shown that in the bone tissue three structural forms of fluorides are deposited: a solid phase of F-apatite and mobile nanoparticles of CaF₂ and MgF² (or KMgF₃) with the ratio of fluorine concentration in these three forms ～2:2:1. During the following 30 day rehabilitation this ratio remains constant, the total fluorine content in the bone tissue decreases ～3 times and the F-apatite phase transforms into disordered (F, OH)-apatite. A protective effect of the zeolitic enterosorbent (klinoptilolite) on fluorine binding in the intoxication process was found, as well as the promotional effect of this enterosorbent on fluorine excretion during the postfluoride rehabilitation.     

Supramolecular Assembly of Triangulo Pd(II) Diimine Complexes Containing Triply‐Bridging Sulfide Ligands

We report here a substituent effect of diimines on the solid‐state assembly of interesting triangulo Pd(II) complexes, [(Pd(d‐t‐bpy))₃(μJ₃‐S)₂][NO₃]₂ 1 ·[NO₃]₂ and [(Pd(bpy))₃(μ₃‐S)₂][ClO₄]₂ 2 ·[ClO₄]₂ (d‐t‐bpy = 4,4′‐di‐tert‐butyl‐2,2′‐bipyridine, bpy = 2,2′‐bipyridine). 2 ·[ClO₄]₂ shows the intermolecular π···π interactions leading to the formation of one‐dimensional frameworks, whereas 1 ·[NO₃]₂ only shows the discrete structure in the solid state, featuring an interesting herring‐bone arrangement. The variation in structural motifs from 1 ·[NO₃]₂ to 2 ·[ClO₄]₂ is expected to be dominated by the substituent's steric hindrance for the diimine ligand. Thus, the crystal‐engineering approach has proved successful in the solid‐state packing due to a substituent's modification of the diimine ligand.     

A novel injectable poly(epsilon-caprolactone)/calcium sulfate system for bone regeneration: synthesis and characterization

A novel poly(epsilon-caprolactone)/calcium sulfate system was prepared and characterized in order to enhance calcium sulfate (gypsum) performance as bone graft substitute overcoming its brittleness and fast resorption rate. A poly(epsilon-caprolactone) (PCL) photo-crosslinkable derivative (PCLf) was synthesized by reaction of a low molecular weight PCL diol with methacryloyl chloride and confirmed by FT-IR and 1H NMR analyses. An injectable and easy mouldable mixture of PCLf and calcium sulfate hemi-hydrate (PCLf/CHS) was obtained. Thermal analyses and solvent extraction proved the occurrence of PCLf photo-crosslinking, even in the presence of CHS, in a time suitable for clinical applications. Swelling studies demonstrated that the encapsulation of the inorganic filler increases network hydrophilicity making it more permeable to water. Scanning electron microscopy, performed on crosslinked PCLf/CHS and on the same material after incubation in a PBS solution, showed the feasibility to obtain, in situ, gypsum entrapped into a degradable polymeric network. In vitro cytotoxicity tests, performed according to ISO 10993-5, proved that the developed system was not cytotoxic supporting its potential use in tissue engineering as a new, injectable, photocurable bone graft material. SEM micrograph of calcium sulfate di-hydrate (gypsum) entrapped in the PCL network.