An iterative image reconstruction algorithm combined with forward and backward diffusion filtering for in‐line X‐ray phase‐contrast computed tomography

In‐line X‐ray phase‐contrast computed tomography (IL‐PCCT) can reveal fine inner structures for low‐Z materials (e.g. biological soft tissues), and shows high potential to become clinically applicable. Typically, IL‐PCCT utilizes filtered back‐projection (FBP) as the standard reconstruction algorithm. However, the FBP algorithm requires a large amount of projection data, and subsequently a large radiation dose is needed to reconstruct a high‐quality image, which hampers its clinical application in IL‐PCCT. In this study, an iterative reconstruction algorithm for IL‐PCCT was proposed by combining the simultaneous algebraic reconstruction technique (SART) with eight‐neighbour forward and backward (FAB8) diffusion filtering, and the reconstruction was performed using the Shepp–Logan phantom simulation and a real synchrotron IL‐PCCT experiment. The results showed that the proposed algorithm was able to produce high‐quality computed tomography images from few‐view projections while improving the convergence rate of the computed tomography reconstruction, indicating that the proposed algorithm is an effective method of dose reduction for IL‐PCCT.     

Synthesis,properties, and solvatochromism of 1,3‐dimethyl‐5‐{(thien‐2‐yl)‐[4‐(1‐piperidyl) phenyl]methylidene}‐(1H,3H)‐pyrimidine‐2,4,6‐trione

A new merocyanine dye, 1,3‐Dimethyl‐5‐{(thien‐2‐yl)‐[4‐(1‐piperidyl)phenyl]methylidene}‐ (1H, 3H)‐pyrimidine‐2,4,6‐trione 3 , has been synthesized by condensation of 2‐[4‐(piperidyl)benzoyl]thiophene 1 with N,N′‐dimethyl barbituric acid 2 . The solvatochromic response of 3 dissolved in 26 solvents of different polarity has been measured. The solvent‐dependent long‐wavelength UV/Vis spectroscopic absorption maxima, v_max, are analyzed using the empirical Kamlet–Taft solvent parameters π* (dipolarity/polarizability), α (hydrogen‐bond donating capacity), and β (hydrogen‐bond accepting ability) in terms of the well‐established linear solvation energy relationship (LSER): (1) The solvent independent coefficients s , a , and b and (v_max)₀ have been determined. The McRae equation and the empirical solvent polarity index, E_T(30) have been also used to study the solvatochromism of 3 . Copyright © 2007 John Wiley & Sons, Ltd.     

Diffraction‐based automated crystal centering

A fully automated procedure for detecting and centering protein crystals in the X‐ray beam of a macromolecular crystallography beamline has been developed. A cryo‐loop centering routine that analyzes video images with an edge detection algorithm is first used to determine the dimensions of the loop holding the sample; then low‐dose X‐rays are used to record diffraction images in a grid over the edge and face plane of the loop. A three‐dimensional profile of the crystal based on the number of diffraction spots in each image is constructed. The derived center of mass is then used to align the crystal to the X‐ray beam. Typical samples can be accurately aligned in ～2–3 min. Because the procedure is based on the number of `good' spots as determined by the program Spotfinder, the best diffracting part of the crystal is aligned to the X‐ray beam.     

Insight into 3D micro‐CT data: exploring segmentation algorithms through performance metrics

Three‐dimensional (3D) micro‐tomography (µ‐CT) has proven to be an important imaging modality in industry and scientific domains. Understanding the properties of material structure and behavior has produced many scientific advances. An important component of the 3D µ‐CT pipeline is image partitioning (or image segmentation), a step that is used to separate various phases or components in an image. Image partitioning schemes require specific rules for different scientific fields, but a common strategy consists of devising metrics to quantify performance and accuracy. The present article proposes a set of protocols to systematically analyze and compare the results of unsupervised classification methods used for segmentation of synchrotron‐based data. The proposed dataflow for Materials Segmentation and Metrics (MSM) provides 3D micro‐tomography image segmentation algorithms, such as statistical region merging (SRM), k‐means algorithm and parallel Markov random field (PMRF), while offering different metrics to evaluate segmentation quality, confidence and conformity with standards. Both experimental and synthetic data are assessed, illustrating quantitative results through the MSM dashboard, which can return sample information such as media porosity and permeability. The main contributions of this work are: (i) to deliver tools to improve material design and quality control; (ii) to provide datasets for benchmarking and reproducibility; (iii) to yield good practices in the absence of standards or ground‐truth for ceramic composite analysis.     

Synthesis and X‐ray structures of unexpected 2‐O‐(5‐deoxy‐1,2‐O‐isopropylidene‐α‐D‐glucofuranos‐5‐yloxy)quinoxalines

Reaction of 3‐methyl‐2(1H)‐quinoxalinone ( 4) and 2(1H)‐quinoxalinone ( 5) with 5,6‐anhydro‐1,2‐O‐isopropylidene‐ α‐D ‐glucofuranose 6 gives the unexpected O‐glucoquinoxalines derivatives by the intermediary novel intramolecular rearrangement of 5,6‐anhydro‐1,2‐O‐isopropylidene‐α‐D ‐glucofuranose to the corresponding 3,6‐anhydro form. The obtained O‐glucoquinoxalines 7,8 were identified by NMR spectroscopy. The X‐ray crystal structures have been determined at room temperature. Moreover, a solid–solid phase transition has been detected at 198.9 K for O‐glucoquinoxalines 7 and the structure of the low‐temperature phase has been solved at 188 K. Copyright © 2009 John Wiley & Sons, Ltd.     

A compact synchrotron‐based transmission X‐ray microscope

A compact transmission X‐ray microscope has been designed and implemented based on a cylindrical symmetry around the optical axis that sharply limits the instabilities due to thermal mechanical drift. Identical compact multi‐axis closed‐loop actuation modules drive different optical components. The design is modular and simplifies the change of individual parts, e.g. the use of different magnification and focusing devices. This compact instrument can be easily transported between laboratory and synchrotron facilities and quickly put into operation. An automated alignment mechanism simplifies the assembly of different modules after transportation. After describing the design details, the results of the first tests are presented.     

Confocal depth‐resolved fluorescence micro‐X‐ray absorption spectroscopy for the study of cultural heritage materials: a new mobile endstation at the Beijing Synchrotron Radiation Facility

A confocal fluorescence endstation for depth‐resolved micro‐X‐ray absorption spectroscopy is described. A polycapillary half‐lens defines the incident beam path and a second polycapillary half‐lens at 90° defines the probe sample volume. An automatic alignment program based on an evolutionary algorithm is employed to make the alignment procedure efficient. This depth‐resolved system was examined on a general X‐ray absorption spectroscopy (XAS) beamline at the Beijing Synchrotron Radiation Facility. Sacrificial red glaze (AD 1368–1644) china was studied to show the capability of the instrument. As a mobile endstation to be applied on multiple beamlines, the confocal system can improve the function and flexibility of general XAS beamlines, and extend their capabilities to a wider user community.     

改进SIFT变换与客观评价结合的图像配准算法

针对SIFT(Scale Invariant Feature Transform)算子在大幅复杂图像中提取的过多不稳定特征点及在只有少量重合区域下图像配准过程中出现的过多误匹配,导致图像配准精度下降。提出一种改进的SIFT算法,在对目标图像提取SIFT特征后,利用双向BBF(Best-Bin-First)匹配算法对提取的特征点进行匹配,采用SIFT描述子的尺度以及梯度方向信息建立最小邻域匹配剔除误匹配点,通过随机抽取一致性算法(RANSAC)进一步筛选匹配点,并利用最小二乘法结合多项式近似拟合出变换模型,利用局部均方根有效值(RMS)评价映射矩阵与实际图像的误差,找出并删除引起误差的误匹配点,迭代至配准图像符合评价标准后,计算出精确变换模型。实验结果表明,该算法提高了大幅复杂图像在少量重合区域时的配准精度。     

基于近似尺度不变特征转换的序列图像融合算法(英文)

在分析了尺度不变特征转换算法特点的基础上提出了一种近似尺度不变特征转换算法,该算法改变了传统尺度不变特征转换算法的框架,将尺度不变特征转换描述符看作是一种特殊的Harris算子,该算法既保留了尺度不变特征转换描述符的优点又降低了计算量.另外,为了提高特征匹配的精度,给出了一种新的特征点对提纯算法.实验结果表明,近似尺度不变特征转换算法在不影响匹配性能的前提下大大缩短了处理时间,经过提纯后的特征点对匹配性能显著提高,最终得到的全景图像过渡平稳,重叠区域没有显著的痕迹.     

基于近似尺度不变特征转换的序列图像融合算法

在分析了尺度不变特征转换算法特点的基础上提出了一种近似尺度不变特征转换算法,该算法改变了传统尺度不变特征转换算法的框架,将尺度不变特征转换描述符看作是一种特殊的Harris算子,该算法既保留了尺度不变特征转换描述符的优点又降低了计算量.另外,为了提高特征匹配的精度,给出了一种新的特征点对提纯算法.实验结果表明,近似尺度不变特征转换算法在不影响匹配性能的前提下大大缩短了处理时间,经过提纯后的特征点对匹配性能显著提高,最终得到的全景图像过渡平稳,重叠区域没有显著的痕迹.     

集成SIFT算法与检测模型优化的UAV影像匹配方法

低空无人机(UAV)测量凭借着低成本、高效率、高精度的数据采集模式,可快速获取高空间分辨率的影像数据,已经成为遥感领域的一种重要技术手段.其中,影像匹配技术是UAV影像数据处理的重要步骤,图像间的匹配直接影响后期三维场景的精度及视觉效果.针对高原山地的高差起伏变化大地形复杂,植被覆被率高及地物分布不规则等问题存在,致使...     

A non-rigid cardiac image registration method based on an optical flow model

According to non-rigid medical image registration, new method of classification registration is proposed. First, Feature points are extracted based on SIFT (Scale Invariant Feature Transform) from reference images and floating images to match feature points. And the coarse registration is performed using the least square method. Then the precise registration is achieved using the optical flow model algorithm. SIFT algorithm is based on local image features that are with good scale, rotation and illumination invariance. Optical flow algorithm does not extract features and use the image gray information directly, and its registration speed is faster. The both algorithms are complementary. SIFT algorithm is used for improving the convergence speed of optical flow algorithm, and optical flow algorithm makes the registration result more accurate. The experimental results prove that the algorithm can improve the accuracy of the non-rigid medical image registration and enhance the convergence speed. Therefore, the algorithm has some advantages in the image registration.     

Kinetics and mechanisms of gas‐phase elimination of 2,2‐diethoxyethyl amine and 2,2‐diethoxy‐N,N‐diethylethanamine

The gas‐phase elimination kinetics of 2,2‐diethoxyethyl amine and 2,2‐diethoxy‐N,N‐diethylethanamine (320–380 °C; 40–150 Torr) in a seasoned reaction vessel are homogeneous, unimolecular and obey a first‐order rate law. These elimination processes involve two parallel reactions. The first gives ethanol and the corresponding 2‐ethoxyethenamine. The latter compound further decomposes to ethylene, CO and the corresponding amine. The second parallel reaction produce ethane and the corresponding ethyl ester of an α‐amino acid. The following Arrhenius expressions are given as: For 2,2‐diethoxyethyl amine For 2,2‐diethoxy‐N,N‐diethylethanamine Comparative kinetic and thermodynamic parameters of the overall, the parallel and the consecutive reactions lead to consider two types of mechanisms in terms of a concerted polar cyclic transition state structures. Copyright © 2008 John Wiley & Sons, Ltd.     

FT‐IR and FT‐Raman investigations of the chemosensing material para‐hexafluoroisopropanol aniline

As an important chemosensing material involving hexafluoroisopropanol (HFIP) for detecting nerve agents, para‐HFIP aniline (p‐HFIPA) has been firstly synthesized through a new reaction approach and then characterized by nuclear magnetic resonance and mass spectrometry experiments. Fourier transform infrared absorption spectroscopy (FT‐IR) and FT‐Raman spectra of p‐HFIPA have been obtained in the regions of 4000–500 and 4000–200 cm⁻¹, respectively. Detailed identifications of its fundamental vibrational bands have been given for the first time. Moreover, p‐HFIPA has been optimized and vibrational wavenumber analysis can be subsequently performed via density functional theory (DFT) approach in order to assist these identifications in the experimental FT‐IR and FT‐Raman spectra. The present experimental FT‐IR and FT‐Raman spectra of p‐HFIPA are in good agreement with theoretical FT‐IR and FT‐Raman spectra. Copyright © 2009 John Wiley & Sons, Ltd.     

Real‐time image‐content‐based beamline control for smart 4D X‐ray imaging

Real‐time processing of X‐ray image data acquired at synchrotron radiation facilities allows for smart high‐speed experiments. This includes workflows covering parameterized and image‐based feedback‐driven control up to the final storage of raw and processed data. Nevertheless, there is presently no system that supports an efficient construction of such experiment workflows in a scalable way. Thus, here an architecture based on a high‐level control system that manages low‐level data acquisition, data processing and device changes is described. This system is suitable for routine as well as prototypical experiments, and provides specialized building blocks to conduct four‐dimensional in situ, in vivo and operando tomography and laminography.     

Hard X‐ray‐induced damage on carbon–binder matrix for in situ synchrotron transmission X‐ray microscopy tomography of Li‐ion batteries

The electrode of Li‐ion batteries is required to be chemically and mechanically stable in the electrolyte environment for in situ monitoring by transmission X‐ray microscopy (TXM). Evidence has shown that continuous irradiation has an impact on the microstructure and the electrochemical performance of the electrode. To identify the root cause of the radiation damage, a wire‐shaped electrode is soaked in an electrolyte in a quartz capillary and monitored using TXM under hard X‐ray illumination. The results show that expansion of the carbon–binder matrix by the accumulated X‐ray dose is the key factor of radiation damage. For in situ TXM tomography, intermittent X‐ray exposure during image capturing can be used to avoid the morphology change caused by radiation damage on the carbon–binder matrix.     

Early commissioning results for spectroscopic X‐ray Nano‐Imaging Beamline BL 7C sXNI at PLS‐II

For spectral imaging of chemical distributions using X‐ray absorption near‐edge structure (XANES) spectra, a modified double‐crystal monochromator, a focusing plane mirrors system and a newly developed fluorescence‐type X‐ray beam‐position monitoring and feedback system have been implemented. This major hardware upgrade provides a sufficiently stable X‐ray source during energy scanning of more than hundreds of eV for acquisition of reliable XANES spectra in two‐dimensional and three‐dimensional images. In recent pilot studies discussed in this paper, heavy‐metal uptake by plant roots in vivo and iron's phase distribution in the lithium–iron–phosphate cathode of a lithium‐ion battery have been imaged. Also, the spatial resolution of computed tomography has been improved from 70 nm to 55 nm by means of run‐out correction and application of a reconstruction algorithm.     

Solvatochromism as an efficient tool to study N,N‐dimethylamino‐ and cyano‐substituted π‐conjugated molecules with an intramolecular charge‐transfer absorption

A representative data set has been gained by the measurement of the electronic absorption spectra of 12 systematically selected push–pull systems with an intramolecular charge‐transfer (CT) absorption and the general structure D–π–A (D = donor, A = acceptor) featuring electron‐withdrawing CN groups, electron‐donating N(CH₃)₂ groups, and various π‐conjugated backbones in 32 solvents with different polarities. The longest‐wavelength absorption maxima λ_max and the corresponding wavenumbers $\tilde {v}_{{\rm max}} $ were evaluated from the UV/Vis spectra measured in 32 well‐selected solvents. The D–π–A push–pull systems were further characterized by quantum‐chemical quantities and simple structural parameters. Structure–solvatochromism relationships were evaluated by multidimensional statistic methods. Whereas solvent polarizability and solvent cavity size proved to be the most important factors affecting the position of λ_max, the solvent polarity was less important. The most important characteristics of organic CT compounds are the energy of the LUMO, the permanent dipole moment, the COSMO (COnductor‐like Screening MOdel) area, the COSMO volume, the number, and ratio of N,N‐dimethylamino and cyano groups, and eventually the number of triple bonds (π‐linkers). A relation between the first‐order polarizability α, the longest‐wavelength absorption maxima λ_max, and the structural features has also been found. The higher‐order polarizabilities β and γ are not related to the observed solvatochromism. Copyright © 2010 John Wiley & Sons, Ltd.