反卷积在生物组织光传输特性研究中的应用

生物组织中的光传输特性可以以点扩散函数表征,即在线状光束入射条件下,生物组织中某一深度层面上的光强度场分布。为获得点扩散函数的具体形式,已发展了多种理论分析方法,其中以Monte Carlo模拟方法最具代表性。但现有理论计算方法都要以生物组织的光学参数已知为前提,而光学参数的准确度直接影响着计算的精度。从线性平移不变系统理论出发,生物组织内一定深度层面上的光强分布被看成是光源强度分布与点扩散函数的卷积,从而提出通过测量在轴对称的准直扩展光源照射条件下,组织中特定层面上的光强度分布,利用反卷积重建生物组织的点扩散函数的方法,并将这种方法应用于典型生物组织透射面上点扩散函数的重建,得到了相应的点扩散函数。实验结果与Monte Carlo模拟的结果吻合较好,表明该方法从实验上获得生物组织点扩散函数的正确性和有效性。     

用于Monte Carlo模拟的复杂生物组织模型

Monte Carlo（MC）模拟被广泛应用于光子在生物组织中的传输研究。通常模拟时将生物组织近似为均匀的平板分层介质,当层状生物组织中含有异常物质（如肿瘤细胞等）或正常生物组织为非平板的复杂结构时,其模拟中的组织模型将会有相应的改变。通过探讨这几类生物组织的MC模拟模型,总结并分析模型建立的关键问题,对基于MC模拟的各种生物组织光学检测研究提供了指导。     

生物组织光传输理论概论

组织光学是一个光学与生命科学相互交叉相互渗透的新兴研究领域,其根本任务是为医用光子技术的发展提供理论基础。本文集中介绍了现有的生物组织光传输理论,它是组织光学研究的基本内容：同时评述了现有光传输理论,如漫射近似,Monte Carlo模拟等的优缺点及适用条件;最后,探讨了处理实际光传输问题时近似理论的合理选择问题。     

不同波长的面光源在生物组织中光能分布的对比

用M onte-Carlo模拟了波长为515 nm的激光光源在空气-肺-空气层样品结构中的传播,详细地讨论了面光源分别为高斯光束和圆平面光束在不同光束半径情况时的光能流率和漫反射强度的分布情况,并与波长635 nm激光光源的结果相比较。结果表明:不同波长光源在相同模型中传播,其光能流率分布和漫反射强度的分布走向相同,激光光斑形状和光束半径大小的选择对激光在组织中传播有重要的影响作用,但比较模拟结果之后,发现在生物组织中近红外光波相对其他光波的穿透性比较强,更便于生物医学以及其他领域的研究。     

两探测器法中的位置选择

通过两探测器法,对半无限生物组织在外延边界条件下（EBF）,用时间分辨反射的Monte Carlo法计算的数据作为模拟实验数据,讨论了不同测量点对测量吸收系数的影响,结果表明吸收系数的测量与两探测器的距离基本无关。     

在微波热疗中用附加介质层增透注入人体电磁能量的理论研究

本文以实际微波辐射器照射下平面分层均匀媒质中的电磁场理论为基础,研究了在微波热疗过程中在分层均匀生物组织模型表面附加一层无耗介质对其中的辐射场的影响。通过数值模拟对比计算了附加介质层参数取不同值时,生物组织模型中电磁场分布的变化及注入组织中能量的相应改变。结果表明,附加介质层参数的不同取值对注入组织中的能量有很大的影响;当附加介质层的参数取某些特定值时,对微波辐射有明显的增透作用。最后,分析了本论文得出的理论结果在微波热疗中的指导意义。     

合并选择的试验研究

本文通过Monte Carlo模拟和小白鼠选择两种方法探讨了直接、间接合并选择方法及其效果。Monte Carlo模拟结果表明,合并指数选择效率高于直接选择,用表型相关代替遗传相关制订的改进合并选择与合并选择的效率相同。小白鼠断奶窝重的改进合并选择,其相对效率显著高于直接选择,从而得到可能也高于合并选择的间接证明。试验结果还表明,指数选择群体近交系数高,这可能是某些指数选择的实际效果与理论预期差距较大的原因之一。     

小鼠大脑纹状体诱发多巴胺信号分析——Monte Carlo模拟

突触前释放的多巴胺以容积式释放（volume transmission）来传递多巴胺信号,而碳纤电极（carbon fiber electrode,CFE）所记录的胞外电化学信号是大量多巴胺分子氧化电流的平均统计结果。这些特征为使用Monte Carlo方法来直观而细致地描述多巴胺在胞外“自由行走”的行为提供了可能。作者尝试使用Monte Carlo建模的方法来研究动作电位（AP）刺激的频率对纹状体内多巴胺浓度（[DA]）变化的影响。结果显示,与实验记录多巴胺信号相比,在生理强度（低频≤20 Hz,或≤12个 APs高频 80 Hz）刺激模式下,基于单一囊泡库的突触模型可以较好地模拟实验结果。此外,作者还分析了大脑神经网络结构等对实验数据的影响。研究说明,Monte Carlo模拟为研究大脑内多巴胺信号的产生机制提供了一种有效的辅助研究方法。     

超声调制生物介质中光子自相关性质研究

本文首次用Monte Carlo方法研究了超声调制生物介质中散射光子的时间自相关性质,讨论了超声参数、介质的散射系数和吸收系数对自相关函数的影响。正常生物组织和病变生物组织的自相关函数有明显的判别,超声调制自相关函数为光学医学诊断提供了一种新参考。     

水蜜桃气候品质评价方法与应用

基于气象要素的品质评价模型(气候品质)较生理生化指标构建的评价体系更简便易行,但目前气候品质模型不确定性较大,精度有待进一步提高。利用2006—2016年奉化和2015—2016年慈溪地区水蜜桃品质因子和气象观测资料,将Monte Carlo法和TS评分(threat score,TS)分析法相结合,构建水蜜桃的气候品质评价模型,以提高对综合品质评估的精度,并利用模型对浙江地区水蜜桃气候品质时空分布特征进行模拟。结果表明:Monte Carlo法可将综合品质评估的不确定性缩小21%(16%~26%);利用TS评分分析法构建的气候品质集合模型的模拟结果与基于品质因子构建的综合品质之间相关系数高达0.97,绝对误差和均方根误差分别为0.01和0.02,较单一模型的模拟精度明显提升;1971—2000年,浙江省水蜜桃品质的气候倾向率为-0.02·10 a-1,21世纪初期气候倾向率达-0.05·10a-1,且年际波动增大;全省水蜜桃气候品质为0.55(0.49~0.63),由沿海向内陆逐步递减。基于Monte Carlo和TS评分分析法构建的水蜜桃气候品质评价模型能较好地模拟浙江地区水蜜桃综合品质,为大范围水蜜桃品质精细化评估提供了有效方法。     

生物组织中有限束宽光吸收的蒙特卡罗模拟

用蒙特卡罗法模拟了有限束宽均匀分布和高斯分布光在生物组织中的传播,分析了生物组织的光学参数及光源特性对光吸收分子的影响,结果表明：只要有效光吸收系数增加,最大光吸收率就会增加,光的侧向传输能力主要依赖于光的有效散射,光束宽度增加,辐照范围加宽,高斯光束的吸收分布的梯度更大。     

Numerical study on the thawing process of biological tissue induced by laser irradiation

Most of the laser applications in medicine and biology involve thermal effects. The laser-tissue thermal interaction has therefore received more and more attentions in recent years. However, previous works were mainly focused on the case of laser heating on normal tissues (37 degrees C or above). To date, little is known on the mechanisms of laser heating on the frozen biological tissues. Several latest experimental investigations have demonstrated that lasers have great potentials in tissue cryopreservation. But the lack of theoretical interpretation limits its further application in this area. The present paper proposes a numerical model for the thawing of biological tissues caused by laser irradiation. The Monte Carlo approach and the effective heat capacity method are, respectively, employed to simulate the light propagation and solid-liquid phase change heat transfer. The proposed model has four important features: (1) the tissue is considered as a nonideal material, in which phase transition occurs over a wide temperature range; (2) the solid phase, transition phase, and the liquid phase have different thermophysical properties; (3) the variations in optical properties due to phase-change are also taken into consideration; and (4) the light distribution is changing continually with the advancement of the thawing fronts. To this end, 15 thawing-front geometric configurations are presented for the Monte Carlo simulation. The least-squares parabola fitting technique is applied to approximate the shape of the thawing front. And then, a detailed algorithm of calculating the photon reflection/refraction behaviors at the thawing front is described. Finally, we develop a coupled light/heat transport solution procedure for the laser-induced thawing of frozen tissues. The proposed model is compared with three test problems and good agreement is obtained. The calculated results show that the light reflectance/transmittance at the tissue surface are continually changing with the progression of the thawing fronts and that lasers provide a new heating method superior to conventional heating through surface conduction because it can achieve a uniform volumetric heating. Parametric studies are performed to test the influences of the optical properties of tissue on the thawing process. The proposed model is rather general in nature and therefore can be applied to other nonbiological problems as long as the materials are absorbing and scattering media.     

A Comparative Study of Internal Light Environment in Bifacial Leaves of Different Plants

Parameters of light propagation in plant leaves — absorption and scattering coefficients, asymmetry of scattering — have been estimated on the basis of measured transmission and emission as well as internal fluxes. This estimation has been carried through by solving the inverse problem of the 4-flux radiative transfer — a theory considering forward and backward diffuse as well as directed components of the overall radiation in a multiple scattering sample. Using the gained parameters, light flux gradients in a two-layered model leaf have been calculated at different wavelengths. Monte Carlo simulation of absorption spectra performed with the parameters obtained with this treatment is in a good agreement with experimental spectra, thus substantiating the theory. Parallel calculations with the two-flux (Kubelka-Munk) theory provide an estimation of the accuracy and applicability of this more simple treatment. Calculations have been performed for three different plants: Catalpa bignonioides, Tilia americana and Vitis riparia.     

蒙特卡罗模拟多束光辐照下生物组织中的光吸收分布

用蒙特卡罗方法模拟了均匀分布光和高斯分布光在生物组织内的传播。通过比较单束以及多束均匀分布光和高斯分布光照射下组织内的光子能量分布规律,分析了不同光源和光斑大小对光吸收分布的影响。结果表明:与均匀光束比较,高斯光束辐照时,激光能量较为集中,但侧向传播范围较窄。在总功率相同的情况下,使用单束大功率宽光源与多束功率较小的小光斑光源均能明显地增大光的侧向传播距离,但使用多束功率较小的小光斑光辐照时生物组织中的最大光吸收率增大。多束组合光源光束间距对光吸收分布影响很大。     

A biological interpretation of transient anomalous subdiffusion. II. Reaction kinetics

Reaction kinetics in a cell or cell membrane is modeled in terms of the first passage time for a random walker at a random initial position to reach an immobile target site in the presence of a hierarchy of nonreactive binding sites. Monte Carlo calculations are carried out for the triangular, square, and cubic lattices. The mean capture time is expressed as the product of three factors: the analytical expression of Montroll for the capture time in a system with a single target and no binding sites; an exact expression for the mean escape time from the set of lattice points; and a correction factor for the number of targets present. The correction factor, obtained from Monte Carlo calculations, is between one and two. Trapping may contribute significantly to noise in reaction rates. The statistical distribution of capture times is obtained from Monte Carlo calculations and shows a crossover from power-law to exponential behavior. The distribution is analyzed using probability generating functions; this analysis resolves the contributions of the different sources of randomness to the distribution of capture times. This analysis predicts the distribution function for a lattice with perfect mixing; deviations reflect imperfect mixing in an ordinary random walk.     

Integral equation theories for predicting water structure around molecules

Water plays a crucial role in the structure and function of proteins and other biological macromolecules; thus, theories of aqueous solvation for these molecules are of great importance. However, water is a complex solvent whose properties are still not completely understood. Statistical mechanical integral equation theories predict the density distribution of water molecules around a solute so that all particles are fully represented and thus potentially both molecular and macroscopic properties are included. Here we discuss how several theoretical tools we have developed have been integrated into an integral equation theory designed for globular macromolecular solutes such as proteins. Our approach predicts the three-dimensional spatial and orientational distribution of water molecules around a solute. Beginning with a three-dimensional Ornstein-Zernike equation, a separation is made between a reference part dependent only on the spatial distribution of solvent and a perturbation part dependent also on the orientational distribution of solvent. The spatial part is treated at a molecular level by a modified hypernetted chain closure whereas the orientational part is treated as a Boltzmann prefactor using a quasi-continuum theory we developed for solvation of simple ions. A potential energy function for water molecules is also needed and the sticky dipole models of water, such as our recently developed soft-sticky dipole (SSD) model, are ideal for the proposed separation. Moreover, SSD water is as good as or better than three point models typically used for simulations of biological macromolecules in structural, dielectric and dynamics properties and yet is seven times faster in Monte Carlo and four times faster in molecular dynamics simulations. Since our integral equation theory accurately predicts results from Monte Carlo simulations for solvation of a variety of test cases from a single water or ion to ice-like clusters and ion pairs, the application of this theory to biological macromolecules is promising.     

Light and chlorophyll gradients within Cucurbita cotyledons

Abstract. Measurement of light within 10–14-d-old green and etiolated Cucurbita pepo cotyledons were made with fibre-optic microprobes to assess the influence of chlorophyll distribution and anatomical variations in mesophyll cell type (spongy versus palisade) on internal light pattern. More than 50% of the pigment in green cotyledons occurred in the upper (adaxial) 300 μm and this gradient strongly influenced the internal propagation of 680 nm light. When the upper (adaxial) surface was irradiated with 680 nm light, almost complete absorption occurred within the first 400 μm (palisade) of approximately 1200-μm-thick cotyledons. In contrast, when lower (abaxial) surfaces were irradiated with 680 nm light, penetration extended throughout the spongy mesophyll to about the 700 μm depth. Measurements of collimaled and scattered light gradients at 550, 680 and 750 nm indicated that collimaled light was rapidly scattered by mesophyll cells. In cotyledons irradiated on the upper surface, spongy mesophyll cells received only scattered light. Furthermore, comparisons of scattered light gradients obtained from cotyledons irradiated on upper and lower surfaces suggested that spongy mesophyll cells scatter light more effectively than palisade cells, probably due to the greater proportion of intercellular air spaces in spongy mesophyll tissue. These data also indicate that both the spectral quality and quantity of light incident on palisade versus spongy mesophyll cells differs, perhaps contributing to developmental and physiological differences between these two mesophyll cell types.     

Development of biological tissue-equivalent phantoms for optical imaging

Optical characteristics of freshly isolated tissues depend on their color and composition. The surface backscattered profile, which account for the tissue compositional variation in fresh excised sheep's heart, lungs, bone and muscle, were measured by multi-probe reflectometer. Optical phantoms were prepared from paraffin wax by mixing a specific combination of wax color materials till the surface backscattered profile of these matched with that of the biological tissues. The optical parameters absorption coefficient (micro(a)), reduced scattering coefficient (micro(s)) and anisotropy factor (g) of these phantoms, are the same as that of biological tissues and are obtained by matching their surface backscattered profiles with that as simulated by Monte Carlo procedure. The maximum and minimum values of absorption coefficient are for the phantoms of lungs (1.0 cm(-1)) and muscle (0.02 cm(-1)), whereas, for scattering coefficient these values are for muscle (21.2 cm(-1)) and bone (13.08 cm(-1)).