直接键连原子间的NMR偶合常数的自然杂化轨道研究V.~(13)C-~(13)C和~(13)C-~(31)P核自旋偶合常数~1J_(CC)和~1J_(CP)

在前文工作的基础上，结合ＭＮＤＯ／ＥＨＭＯ分子轨道方法和自然杂化轨道方法，具体计算了ＣＣ键和ＣＰ键的核自旋偶合常数．计算结果表明，１ＪＣＣ和１ＪＣＰ主要由成键原子的轨道杂化作用和键极性这两种结构因素所决定．为从简单价键理论角度解释和计算１ＪＣＣ和１ＪＣＰ值提供了简便直观的方法．     

Effect of temperature on rectified diffusion during ultrasound-induced heating

Experimental observations of delayed-onset cavitation during ultrasound insonation have been suggested as being caused by a change in the size distribution of the bubble population due to rectified diffusion. To investigate this hypothesis, a single bubble model is used here to explore the effect of heating and the subsequent elevated temperatures on the rectified diffusion process. Numerical solution of the model, which includes the temperature dependences of seven relevant physical parameters, allows quantification of the change in the pressure threshold for rectified diffusion, as well as the importance of the bulk liquid saturation concentration in determining bubble evolution. Although elevated temperatures and liquid supersaturation reduce the rectified diffusion threshold, it remains coincident with the inertial cavitation thresholds at submicron bubble sizes at all temperatures. This observation suggests that changes in the nucleation environment, rather than bubble growth due to rectified diffusion, is a more likely cause of delayed-onset cavitation events.     

具有切向控制的局部四点插值曲线设计方法

Ｎｉｒａ Ｄｙｎ等提出的四点插值法是一种典型的自由曲线离散造型方法，但该方法不能控制插值点的切向。本文利用薄板样很可能 量的极小化原理给出了具有切向控制的四点分插值条件。用户可以方便地交互控制任一插值点的切向，使得四点插值法更为有效和实用。     

Quantitative observations of cavitation activity in a viscoelastic medium

Quantitative experimental observations of single-bubble cavitation in viscoelastic media that would enable validation of existing models are presently lacking. In the present work, single bubble cavitation is induced in an agar gel using a 1.15 MHz high intensity focused ultrasound transducer, and observed using a focused single-element passive cavitation detection (PCD) transducer. To enable quantitative observations, a full receive calibration is carried out of a spherically focused PCD system by a bistatic scattering substitution technique that uses an embedded spherical scatterer and a hydrophone. Adjusting the simulated pressure received by the PCD by the transfer function on receive and the frequency-dependent attenuation of agar gel enables direct comparison of the measured acoustic emissions with those predicted by numerical modeling of single-bubble cavitation using a modified Keller-Miksis approach that accounts for viscoelasticity of the surrounding medium. At an incident peak rarefactional pressure near the cavitation threshold, period multiplying is observed in both experiment and numerical model. By comparing the two sets of results, an estimate of the equilibrium bubble radius in the experimental observations can be made, with potential for extension to material parameter estimation. Use of these estimates yields good agreement between model and experiment.     

Acoustic particle manipulation in a 40 kHz quarter-wavelength standing wave with an air boundary

An implementation of a quarter-wavelength standing wave separator that exploits an air drum to achieve the pressure node is presented and characterized experimentally. The air drum configuration was implemented and tested in a set-up with a 40 kHz transducer immersed in a water tank with the quarter-wavelength gap being approximately 9 mm wide. Injection of suspensions of 5 μm and 45 μm diameter polystyrene particles at flow rates of 30 ml/h and 60 ml/h was studied and particle deflection towards the pressure node at the air drum surface was observed for a range of acoustic pressures. Computational results on single particle trajectories show good agreement with the experimental findings for the 45 μm particles, but not for the 5 μm particles. These were considered to behave as aggregates of higher effective dimension, due to their much higher number density relative to the 45 μm particles in the suspensions used. The set-up developed in this study includes a robust method for achieving a pressure node in a quarter-wavelength system and can represent the first step toward the development of an alternative separator configuration in respect to small channel MHz range operated systems for the manipulation of particles streams.     

The effect of temperature and viscoelasticity on cavitation dynamics during ultrasonic ablation

Inertial cavitation has been shown to enhance heating rates during high intensity focused ultrasound treatments. Cavitation dynamics will be affected by heating and by the changes in mechanical properties of tissue resultant from thermal denaturation; however, the nature of the change is not known and forms the focus of the current study. A Keller-Miksis equation is used to find the variation in inertial cavitation threshold with temperature in water and, when coupled with a Kelvin-Voigt viscoelastic model, in biological tissue. Simulated thermal ablation treatments in liver and muscle are used to explore the changes in cavitation dynamics, and the resultant frequency spectra of secondary acoustic emissions, due to tissue denaturation. Results indicate that viscosity is the key parameter controlling cavitation dynamics in biological tissues. The increase in viscosity during denaturation is predicted to increase inertial cavitation thresholds, leading to a substantial decrease in the higher harmonic content of the emitted pressure signal across a wide range of bubble radii. Experimental validation of these observations could offer improved methods to monitor therapeutic ultrasound treatments.     

Cavitation-enhanced delivery of macromolecules into an obstructed vessel

Poor drug penetration through tumor tissue has emerged as a fundamental obstacle to cancer therapy. The aim of this study was to examine the ability of cavitation instigated by high-intensity focused ultrasound (HIFU) to increase convective transport of a model therapeutic in an in vitro tumor model. Cavitation activity was quantified by analyzing passively recorded acoustic emissions, and mass transfer was quantified using post-treatment image analysis of the distribution of a dye-labeled macromolecule. The strong correlation between cavitation activity and drug delivery suggests the potential for non-invasive treatment and monitoring.     

Passive cavitation mapping for localization and tracking of bubble dynamics

Current acoustic techniques for studying cavitation dynamics are only readily applicable to single-bubble activity, while optical methods can only be used in transparent media. However, multi-bubble cavitation often occurs in opaque media such as biological tissue. Here, the signals received passively by each of the 64 channels of a diagnostic ultrasound array are used to localize and separate emissions from several bubble clusters cavitating in agar gel, thereby providing a method of observing cavitation dynamics. The method has a high spatiotemporal resolution and is applicable to cavitation in opaque media.     

Porcine dentin sialoprotein glycosylation and glycosaminoglycan attachments

Background  

Dentin sialophosphoprotein (Dspp) is a multidomain, secreted protein that is critical for the formation of tooth dentin. Mutations in DSPP cause inherited dentin defects categorized as dentin dysplasia type II and dentinogenesis imperfecta type II and type III. Dentin sialoprotein (Dsp), the N-terminal domain of dentin sialophosphoprotein (Dspp), is a highly glycosylated proteoglycan, but little is known about the number, character, and attachment sites of its carbohydrate moieties.