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L-MM Auger electron emission from chlorinated organic molecules under proton impact: Angular distribution and total cross section measurement 质子冲击下氯化有机分子的L-MM俄歇电子发射:角分布和总截面测量
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-12-01 DOI: 10.1016/j.elspec.2023.147407
Rohit Tyagi , Abhijeet Bhogale , Sandeep Bari , L.C. Tribedi , A.H. Kelkar

We have measured the absolute cross section for L-MM Auger electron emission in chlorinated methanes and benzene chloride molecules in collision with keV energy protons. The measurements have been performed with four different chlorine containing organic molecules viz CCl4, CHCl3, CH2Cl2 and C6H5Cl. We have measured the angular distribution of chlorine L-MM Auger electrons at backward emission angles (90° – 150°). The angular distribution shows an isotropic character. We also studied the projectile energy dependence of the total L-MM Auger yield for proton energy ranging from 125 keV to 275 keV. Carbon K-LL Auger yield was also obtained in the same experiments.

我们测量了氯化甲烷和氯化苯分子与keV能量质子碰撞时L-MM俄歇电子发射的绝对横截面。测量的对象是四种不同的含氯有机分子,即CCl4、CHCl3、CH2Cl2和C6H5Cl。我们测量了氯L-MM俄歇电子在反向发射角(90°~ 150°)下的角分布。角分布呈各向同性。我们还研究了质子能量从125 keV到275 keV范围内,L-MM俄歇总产额对弹丸能量的依赖。同样的实验也得到了碳K-LL俄歇产率。
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引用次数: 0
Identification and functional characterization of two rare LDLR stop gain variants (p.C231* and p.R744*) in Saudi familial hypercholesterolemia patients. 沙特家族性高胆固醇血症患者2种罕见LDLR停止增加变异(p.C231*和p.R744*)的鉴定和功能特征
IF 4.3 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-12-01 Epub Date: 2022-03-11 DOI: 10.23736/S0031-0808.22.04612-2
Zuhier Awan, Alhanuf Batran, Faisal A Al-Allaf, Raneem S Alharbi, Gehan A Hegazy, Bassam Jamalalail, Majid Almansouri, Abdulhadi I Bima, Haifa Almukadi, Hussam I Kutbi, Ahmed E Altayar, Babajan Banaganapalli, Noor A Shaik

Background: Familial hypercholesterolemia (FH) is a globally underdiagnosed inherited metabolic disorder. Owing to limited published data from Arab world, this study was conducted with the aim of identifying the genetic and molecular basis of FH in highly consanguineous Saudi population.

Methods: We performed clinical screening, biochemical profiling, whole exome sequencing and variant segregation analysis of two Saudi FH families. Additionally, 500 normolipic individuals were screened to ensure the absence of FH variant in general Saudi population. Functional characterization of FH variants on secondary structure characteristics of RNA and protein molecules was performed using different bioinformatics modelling approaches.

Results: WES analysis identified two independent rare LDLR gene stop gain variants (p.C231* and p.R744*) consistent to the clinical presentation of FH patients from two different families. RNAfold analysis has shown that both variants were predicted to disturb the free energy dynamics of LDLR mRNA molecule and destabilize its folding pattern and function. PSIPRED based structural modelling analysis has suggested that both variants bring drastic changes disturbing the secondary structural elements of LDLR molecule. The p.C231* and p.R744* variants are responsible for partial or no protein product, thus they are class 1 variants causing loss of function (LoF) LDLR variants.

Conclusions: This study highlights the effectiveness of the WES, sanger sequencing, and computational analysis in expanding FH variant spectrum in culturally distinct populations like Saudi Arabia. Genetic testing of FH patients is very essential in better clinical diagnosis, screening, treatment, and management and prevention of cardiovascular disease burden in the society.

家族性高胆固醇血症(FH)是一种全球范围内未被充分诊断的遗传性代谢疾病。由于阿拉伯世界发表的数据有限,本研究的目的是确定高度近亲沙特人群中FH的遗传和分子基础。方法对2个沙特FH家族进行临床筛选、生化分析、全外显子组测序和变异分离分析。此外,还筛选了500名正常人群,以确保在一般沙特人群中不存在FH变异。利用不同的生物信息学建模方法,对FH变异在RNA和蛋白质分子二级结构特征上的功能进行了表征。结果通过swes分析,鉴定出两个独立的罕见LDLR基因停止增益变异(p.C231*和p.R744*),与两个不同家族的FH患者的临床表现一致。RNAfold分析表明,这两种变体都干扰了LDLR mRNA分子的自由能动力学,使其折叠模式和功能不稳定。基于PSIPRED的结构建模分析表明,这两种变体都引起了LDLR分子二级结构元素的剧烈变化。p.C231*和p.R744*变异只产生部分蛋白质产物或不产生蛋白质产物,因此它们是导致功能丧失(LoF)的LDLR变异的1类变异。本研究强调了WES、sanger测序和计算分析在沙特阿拉伯等文化差异人群中扩展FH变异谱的有效性。FH患者的基因检测对于更好的临床诊断、筛查、治疗以及管理和预防社会心血管疾病负担至关重要。
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引用次数: 3
Ionization of CH4 under fast He-like Si-ion impact 类氦硅离子快速冲击下CH4的电离
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-11-20 DOI: 10.1016/j.elspec.2023.147405
Debasmita Chakraborty , Sanjeev Maurya , Laszlo Gulyás , Abhijit Bhogale , Chandan Bagdia , Nilesh Mhatre , Debashis Biswas , Lokesh C. Tribedi

We have studied the absolute double differential cross section (DDCS) of electrons ejected from the methane molecule (CH4) under the impact of highly charged fast projectile ions. The energy and angular distributions of electrons have been measured in interactions with 70 MeV Si12+ ions. These DDCS data together with the derived single differential cross sections and the total cross section (TCS) have been compared with predictions of the continuum distorted wave-eikonal initial state model using different approaches for the molecular orbitals. It has been found that the theories overestimate the measured DDCS values at low ejection energies, which may indicate shortcomings of the model in the case of strong perturbation. At the same time, applying the model to a previous measurement using fast C ions having a lower perturbation strength, excellent agreements have been obtained with the experimental data. Considering the scaling properties, the available TCS data have been plotted with a scaled parameter, namely the perturbation strength, q/v (where q= charge state, v=velocity of the projectile). The KLL Auger e-emission as well as the KLL hyper-satellite peaks are analyzed for different emission angles. The double K-vacancy production shows a considerable enhancement i.e. 37% of the single production cross section which is consistent with some of the recent experiments on K-ionization using x-ray techniques.

本文研究了甲烷分子(CH4)在高电荷快速抛射离子的冲击下所发射出的电子的绝对双微分截面(DDCS)。在与70 MeV Si12+离子的相互作用中,测量了电子的能量和角分布。这些DDCS数据以及推导出的单微分截面和总截面(TCS)与使用不同方法对分子轨道的连续体畸变波-斜向初始状态模型的预测结果进行了比较。在低抛射能量下,理论高估了测量的DDCS值,这可能表明模型在强摄动情况下的缺陷。同时,将该模型应用于先前使用微扰强度较低的快C离子进行的测量,得到了与实验数据非常吻合的结果。考虑到标度特性,可用TCS数据用标度参数,即扰动强度q/v(其中q=电荷状态,v=弹丸速度)绘制。分析了不同发射角度下的KLL俄歇电子发射和KLL超卫星峰。双k空位产生显示出相当大的增强,即单产生截面的37%,这与最近使用x射线技术进行k电离的一些实验一致。
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引用次数: 0
Core hole electron screening in InSb InSb岩心空穴电子筛选
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-10-30 DOI: 10.1016/j.elspec.2023.147402
A. Alsawi , C.R.J. Sait , D. Hesp , P. Unsworth , M.J. Ashwin , V.R. Dhanak , T.D. Veal , P. Weightman

The application of a potential model to the analysis of differences between the Auger parameters of InSb and the elemental materials yields a value 1.82±0.07Å for the core hole screening distance in InSb. It also yields a value of 0.22 ± 0.49 e for the charge transfer in InSb. Shifts in the Auger parameters of elements between their metallic states and in a compound semiconductor are interpreted using a novel method based on quantifying atomic core potential, as a quantum mechanical observable, in terms of its dependence on the valence charge and the number of atomic core holes. The core hole screening distance is 30% larger than half the interatomic distance between the nearest neighbors and, by the equivalent cores model, is expected to be the screening radius of Sn and Te impurities in InSb.

应用电位模型分析InSb的螺旋参数与元素材料之间的差异,得出InSb的岩心孔筛分距离为1.82±0.07Å。它也产生了0.22±0.49 e的值在InSb中的电荷转移。利用一种基于量子化原子核心势的新方法,解释了化合物半导体中元素在金属态和原子核心空穴数之间的俄歇参数的变化。原子核心势是一种量子力学观测,它依赖于价荷和原子核心空穴数。岩心孔的筛选距离比最近邻原子间相互作用距离的一半大~ 30%,根据等效岩心模型,预计将是InSb中Sn和Te杂质的筛选半径。
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引用次数: 0
Effect of L-shell spectator vacancies on the competition of filling the K, L1 and L23 vacancies and the natural widths of K-shell hole states of argon ions l壳旁观空位对K、L1和L23空位填充竞争及氩离子K壳空穴态自然宽度的影响
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-10-01 DOI: 10.1016/j.elspec.2023.147395
Xiangli Wang , Lan Yang , Baixing Liu , Guoheng Zhang , Xiaoyong Li , Cairang LiMao

The radiative and Auger decay of K-shell hole states of argon ions with configuration 1s2sm2pn3 s23p6 (m=0–2; n = 0–6) are studied theoretically using the flexible atomic code. The effect of L-shell spectator vacancies on the competition of filling the K, L1, and L23 vacancies is discussed for the first time. We find the K or L1 vacancy is preferred to be filled first when there is 0 or 1 vacancy in the L23 shell, but the L23 vacancy becomes the priority when the number of the L23 vacancies is larger than 2, and the total branching ratio of the L23 vacancy is as high as 66.98%, 74.66%, and 80.95% when the L23 shell has 4 vacancies and there are 2, 1 and 0 vacancies in the L1 shell, respectively. In addition, the natural widths of the K, L1, and L23 vacancies with different L-shell vacancy distributions are also calculated. The results show that they all first increase and then decrease with the number of L23 vacancies. It is expected that the present study will be useful for the qualitative analysis of the decay processes of multiple hole states, the understanding of ion yields and the production of satellites in x-ray and Auger spectra.

用弹性原子程序从理论上研究了组态为1s2sm2pn3 s23p6(m=0–2;n=0–6)的氩离子K壳层空穴态的辐射和俄歇衰变。首次讨论了L壳层观众空位对填补K、L1和L23空位竞争的影响。我们发现,当L23壳层中有0个或1个空位时,K或L1空位优先被填充,但当L23空位的数量大于2时,L23空位成为优先位置,当L23-壳层中有4个空位和L1壳层中有2个、1个和0个空位时,L23-空位的总分支率分别高达66.98%、74.66%和80.95%。此外,还计算了具有不同L壳层空位分布的K、L1和L23空位的自然宽度。结果表明,它们都是随着L23空位的数量先增加后减少的。预计本研究将有助于对多个空穴态的衰变过程进行定性分析,了解离子产率,并在x射线和俄歇光谱中产生卫星。
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引用次数: 0
Influence of a static electric field on magnetic materials monitored by X-ray magnetic circular dichroism 静电场对x射线磁圆二色性监测的磁性材料的影响
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-10-01 DOI: 10.1016/j.elspec.2023.147386
H. Ebert , S. Mankovsky , A. Marmodoro , E. Simon

The magnetic circular X-ray dichroism (XMCD) in X-ray absorption spectroscopy (XAS) is extensively used to monitor the response of a magnetic system to an external perturbation. Application of a static external electric field to control its magnetic properties may just lead to a charge rearrangement or to a steady electric current dependent on the geometry. As it is demonstrated, the first situation can be handled with minor modifications of the standard well established schemes to calculate XAS and XMCD spectra. For the second case, however, more advanced schemes have to be used that account for the steady-state out-of-equilibrium situation. It is shown, that this can indeed be achieved by making use of the Keldysh non-equilibrium Green function formalism that allows in particular to express the X-ray absorption coefficient in terms of the corresponding greater Green function G>(E). As an alternative approach, a bi-linear response formalism is presented that can be used to calculate the modification of the XMCD spectra due to the electric field directly.

X射线吸收光谱(XAS)中的磁性圆X射线二色性(XMCD)被广泛用于监测磁性系统对外部扰动的响应。应用静态外部电场来控制其磁特性可能只会导致电荷重排或产生取决于几何形状的稳定电流。正如所证明的,第一种情况可以通过对标准的完善方案进行微小修改来处理,以计算XAS和XMCD光谱。然而,对于第二种情况,必须使用更先进的方案来解释稳态失衡情况。结果表明,这确实可以通过使用Keldysh非平衡格林函数形式来实现,该形式特别允许用相应的更大格林函数G>;(E) 。作为一种替代方法,提出了一种双线性响应形式,可用于计算电场直接引起的XMCD光谱的修正。
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引用次数: 0
A quantitative evaluation of the 2nd derivative mode in electron energy loss spectroscopy 电子能量损失谱中二阶导数模式的定量评价
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-10-01 DOI: 10.1016/j.elspec.2023.147387
J.G. Tobin

The second derivative mode of peak analysis in electron energy loss spectroscopy (EELS) in a Transmission Electron Microscope (TEM) has been quantitatively evaluated in terms of the accuracy of the method. This includes a demonstration of the importance of the second derivative peak width, the second order dependency of the accuracy upon that peak width and effect of high frequency noise in the spectra. It is shown that while the second derivative method is an efficacious and powerful mode of analysis, there are limitations in terms of the number of significant digits in both the spectral values and derived electronic quantities. The case of uranium N4,5 spectral peaks and the 5f population is presented as an example, with UO2 X-ray Absorption Spectroscopy used as a benchmark.

对透射电子显微镜(TEM)中电子能量损失谱(EELS)峰分析的二阶导数模式进行了定量评价。这包括二阶导数峰宽的重要性的演示,精度的二阶依赖于峰宽和频谱中的高频噪声的影响。结果表明,二阶导数法是一种有效而强大的分析方法,但在谱值和推导出的电子量的有效位数方面存在局限性。以铀的n4,5光谱峰和5f居群为例,以UO2 x射线吸收光谱为基准。
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引用次数: 0
EXAFS study of the local environment of lead and iron sorbed onto volcanic ash 火山灰吸附铅和铁的局部环境EXAFS研究
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-08-01 DOI: 10.1016/j.elspec.2023.147379
Bridinette Thiodjio Sendja , Duclair Tchana Kamgne , Rene Loredo Portales , Giuliana Aquilanti

This work focuses on the EXAFS investigation of the local environment of lead and iron sorbed onto volcanic ash materials previously studied using XANES technique. Different compounds found in the composition of volcanic ash were used as the models in the EXAFS fitting procedure of the experimental EXAFS spectra collected at the Fe K edge and Pb L3 edge in the Fe- and Pb-sorbed volcanic ash samples. The results showed two types of interactions involving in the adsorption process of both samples. The first is related to iron or lead absorber with oxygen atoms in the first coordination shell. The second interaction occurred between the absorbers (Fe or Pb) and the backscatters (Fe or Pb) in the second shell. The local environment of the iron-sorbed element may have a cubic geometry with different crystallographic sites related to oxygen and iron atoms. On the other hand, the lead-sorbed element may be in orthorhombic geometry with different sites related to oxygen atoms and lead atoms. The adsorption mechanisms involved in the process of iron and lead sorption are ion exchange with probable chemisorption for iron and microprecipitation for lead.

这项工作的重点是利用EXAFS对先前使用XANES技术研究的火山灰材料吸附铅和铁的局部环境进行调查。在EXAFS拟合过程中,采用火山灰成分中发现的不同化合物作为模型,对吸附铁和铅的火山灰样品中Fe K边缘和Pb L3边缘采集的EXAFS实验光谱进行拟合。结果表明,两种样品的吸附过程中存在两种类型的相互作用。第一种是在第一配位壳层中具有氧原子的铁或铅吸收体。第二次相互作用发生在吸收体(Fe或Pb)和后向散射体(Fe或Pb)之间。铁吸附元素的局部环境可能具有立方几何形状,具有与氧原子和铁原子相关的不同晶体学位点。另一方面,铅吸附元素可能呈正交几何,与氧原子和铅原子相关的位置不同。铁和铅的吸附机制主要是离子交换和可能的化学吸附和铅的微沉淀。
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引用次数: 0
Making chemical sense of phase in soft X-ray spectroptychography 软X射线光谱成像中相位的化学意义
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-08-01 DOI: 10.1016/j.elspec.2023.147367
Joseph Stitsky , Jian Wang , Stephen Urquhart

Spectroptychography is being used to realize a significant improvement in the spatial resolution of x-ray spectromicroscopy, allowing chemical microanalysis at finer spatial scales. The chemical sensitivity of near edge X-ray absorption fine structure (NEXAFS) is familiar to most researchers who use x-ray spectromicroscopy for chemical microanalysis. However, the additional phase information available through ptychography provides additional and tantalizing data, and potentially additional chemical information. This paper explores the chemical information available in phase for a system of silicon dioxide nanospheres.

分光光度法被用于实现x射线光谱显微镜的空间分辨率的显着改进,允许在更细的空间尺度上进行化学微量分析。近边缘x射线吸收精细结构(NEXAFS)的化学灵敏度是大多数使用x射线光谱显微镜进行化学微量分析的研究人员所熟悉的。然而,通过压型图获得的额外相信息提供了额外的和诱人的数据,以及潜在的额外化学信息。本文探讨了二氧化硅纳米球体系的相化学信息。
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引用次数: 0
Soft X-ray microspectroscopic imaging studies of exfoliated surface between fluoropolymer and Cu plate directly bonded by plasma irradiation with ammonia gas 氨气等离子体辐照直接键合含氟聚合物与铜板剥离表面的软x射线显微成像研究
IF 1.9 4区 物理与天体物理 Q2 SPECTROSCOPY Pub Date : 2023-08-01 DOI: 10.1016/j.elspec.2023.147385
A. Yamaguchi , S. Ikeda , M. Nakaya , Y. Kobayashi , Y. Haruyama , S. Suzuki , K. Kanda , Y. Utsumi , T. Ohkochi , H. Sumida , M. Oura

The F, C, O, and N elemental distribution maps at the exfoliated surfaces of Cu plate after peeling the fluoropolymers from Fluorinated ethylene propylene (FEP)/Cu and Perfluoroalkoxyalkane (PFA)/Cu pieces which were bonded by plasma treatment including amino acid were performed by microscopic synchrotron radiation (SR) spectroscopic imaging measurements. The spatial elemental distribution pattern of exfoliated Cu after peeling PFA/Cu piece was not detectable by scanning electron microscopy with energy dispersive X-ray spectroscopy imaging alone, was revealed by SR-based soft X-ray microspectroscopy. We also obtained the microprobe X-ray fluorescence spectra and microprobe near-edge X-ray absorption fine structure spectra. Based on these measurement results, it is considered that the delamination of FEP/Cu piece mainly caused by resin failure, while the delamination of PFA/Cu is caused by interfacial delamination in addition to resin failure. The Hard X-ray photoelectron spectroscopy was also performed to confirm that the bonding via nitrogen is formed. Our SR-based analyses provided confirmation that fluoropolymers and Cu plates are bonded by N-mediated chemical bonding. The present study insists that the technique and plasma bonding process reported are expected to contribute to the development of new devices and systems consisting of fluoropolymers and metals.

采用显微同步辐射(SR)光谱成像测量方法,对含氨基酸等离子体处理后的含氟乙烯丙烯(FEP)/Cu和全氟烷烷(PFA)/Cu片剥离后的含氟聚合物在Cu板剥离表面的F、C、O和N元素分布图进行了测量。PFA/Cu片剥离后,扫描电镜和x射线能谱成像无法检测到剥离后Cu的空间元素分布规律,而基于sr的软x射线显微光谱分析揭示了Cu的空间元素分布规律。获得了微探针x射线荧光光谱和微探针近边x射线吸收精细结构光谱。基于这些测量结果,认为FEP/Cu片的分层主要是由树脂失效引起的,而PFA/Cu片的分层除了树脂失效外,还由界面分层引起。硬x射线光电子能谱也证实了氮键的形成。我们基于sr的分析证实了含氟聚合物和Cu板是通过n介导的化学键结合的。本研究认为,所报道的技术和等离子键合过程有望为含氟聚合物和金属的新器件和系统的开发做出贡献。
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引用次数: 0
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Journal of Electron Spectroscopy and Related Phenomena
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