High-precision X-ray polarimeter based on channel-cut crystals

We report on using synthetic silicon for a high-precision X-ray polarimeter comprising a polarizer and an analyzer,each based on a monolithic channel-cut crystal used at multiple Brewster reflections with a Bragg angle very close to 45°.Experiments were performed at the BL09B bending magnet beamline of the Shanghai Synchrotron Radiation Facility using a Si(800)crystal at an X-ray energy of 12.914 keV.A polarization purity of 8.4×10^(-9)was measured.This result is encouraging,as the measured polarization purity is the best-reported value for the bending magnet source.Notably,this is the firstly systematic study on the hard X-ray polarimeter in China,which is crucial for exploring new physics,such as verifying vacuum birefringence.

X-ray Multiple Diffraction Topographic Imaging Technique For Growth History Study of Habit Modifying Impurity Doped Crystals

A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symmetry and its spatial dependence in relation to lattice defects. This facility is used to examine, in a self-consistent manner, growth sector-dependant changes to both the crystallographic structure and the lattice defects associated with the action of habit-modifying additives in a number of representative crystal growth systems. In addition, the new instrument can be used to probe micro-crystallographic aspects(such as distortion to crystal symmetry) and relate these in a spatially resolved manner to the crystal defect structure in crystals doped with known habit modifiers.

X-ray and DFT Crystal Structure Determination and Conformational Analysis of a Pyrethroid Compound

The structure of （E）-N-[（E）-3-[（lR,2R）-2-（3,4-dibromo-phenyl）-l-fluro-cyclopropyl]- allylidene]-2-0-tolyl-acetamide （C21HIsONFBrz, Mr = 479.18） has been determined by X-ray single- crystal diffraction and theoretical calculations to establish the configuration, stereochemistry and a stable conformation of the molecule. The compound crystallizes in the monoclinic space group P21/c, a = 28.3452（10）, b = 4.9311（10）, c = 14.257（2） A, fl = 102.7654（10）, V = 1943.5（5） A3 and Z = 4. The structure has been refined to the final R = 0.05 for the observed structure factors with 1 〉 30（/）. Theoretical calculations in the ground state have been carried out for the compound studied using the Hartree-Fock （HF） and density functional theory （DFT） （B3LYP） with 6-31G（d,p） basis sets. The results show that the studied compound prefers the keto form. The compound involves intra- and intermolecular hydrogen bonding of C-H.-.O and C-H-..F types, which further stabilize the structure and display a trans configuration for the C=N and C=C double bonds. The calculated results show that the predicted geometry can well reproduce the structural parameters.

Comparison between Double Crystals X-ray Diffraction and Micro-Raman Measurement on Composition Determination of High Ge Content Si_(1-x)Ge_(x) Layer Epitaxied on Si Substrate

It is important to acquire the composition of Si1-xGex layer, especially that with high Ge content, epitaxied on Si substrate. Two nondestructive examination methods, double crystals X-ray diffraction （DCXRD） and micro-Raman measurement, were introduced comparatively to determine x value in Si1-xGex layer, which show that while the two methods are consistent with each other when x is low, the results obtained from double crystals X-ray diffraction are not credible due to the large strain relaxation occurring in Si1-xGex layers when Ge content is higher than about 20%. Micro-Raman measurement is more appropriate for determining high Ge content than DCXRD.

Centimeter-sized Cs_(3)Cu_(2)I_(5)single crystals grown by oleic acid assisted inverse temperature crystallization strategy and their films for high-quality X-ray imaging

Low-dimensional halide perovskites have become the most promising candidates for X-ray imaging,yet the issues of the poor chemical stability of hybrid halide perovskite,the high poisonousness of lead halides and the relatively low detectivity of the lead-free halide perovskites which seriously restrain its commercialization.Here,we developed a solution inverse temperature crystal growth(ITCG)method to bring-up high quality Cs_(3)Cu_(2)I_(5)crystals with large size of centimeter order,in which the oleic acid(OA)is introduced as an antioxidative ligand to inhibit the oxidation of cuprous ions effieiently,as well as to decelerate the crystallization rate remarkalby.Based on these fine crystals,the vapor deposition technique is empolyed to prepare high quality Cs_(3)Cu_(2)I_(5)films for efficient X-ray imaging.Smooth surface morphology,high light yields and short decay time endow the Cs_(3)Cu_(2)I_(5)films with strong radioluminescence,high resolution(12 lp/mm),low detection limits(53 nGyair/s)and desirable stability.Subsequently,the Cs_(3)Cu_(2)I_(5)films have been applied to the practical radiography which exhibit superior X-ray imaging performance.Our work provides a paradigm to fabricate nonpoisonous and chemically stable inorganic halide perovskite for X-ray imaging.

Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of Exodeoxyribonuclease III from Crenarchaeon <i>Sulfolobus tokodaii</i>Strain 7

Exodeoxyribonuclease III (EXOIII) acts as a 3’→5’ exonuclease and is homologous to purinic/apyrimidinic (AP) endonuclease (APE), which plays an important role in the base excision repair pathway. To structurally investigate the reaction and substrate recognition mechanisms of EXOIII, a crystallographic study of EXOIII from Sulfolobus tokodaii strain 7 was carried out. The purified enzyme was crystallized by using the hanging-drop vapor-diffusion method. The crystals belonged to space group C2, with unit-cell parameters a = 154.2, b = 47.7, c = 92.4 ?, β = 125.8° and diffracted to 1.5 ? resolution.

Synthesis and X-ray Crystal Structure of a New Molecular Clip

The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It （C24H24N4O2, Mr = 400.47） crystallizes in the space group C2/c with a = 15.587（2）, b = 8.5805（12）, c = 15.259（2） A, β = 102.448（3）°, V= 1992.9 （5）A63, Z = 4, Dc = 1.335 g/cm63,μ = 0.087 mm^-1 and F（000） = 848. It remains monomeric in the crystal and a tape-like structure is formed in the crystal structure of molecular clip. The most unusual structural feature of 2 is the boat conformation of its cyclohexyl ring imposed by the ring fusion at C（9）-C（9a）.

Synthesis,Crystal Structure and Thermal Analysis of N-(2,3-Dimethyl-phenyl)-N'-(methoxyl formyl)thiourea

N-（2,3-Dimethyl-phenyl）-N＇-（methoxyl formyl）thiourea was synthesized by the reacting of 2,3-dimethylaniline,potassium thiocyanate（KSCN） and methyl chloroformate（ClCOOCH 3）.Single crystal was obtained by slowly evaporation solvent at room temperature.The structure was characterized by elemental analysis,IR and X-ray crystalography.The compound crystallized：a triclinic system with space group Pī,a=0.83440（12） nm,b=0.89113（13） nm,c=0.93015（13） nm,α=76.548（2） o,β=63.906（2） o,γ=82.538（2） o,V=0.60379（15） nm 3,Z=2,D c =1.311 mg/m 3,F（000）=252,μ=0.256 mm-1,R 1 =0.0379,wR 2 =0.0919.The specific heat capacity of the title compound was determined by a Micro-DSC method,and the specific heat capacity was 1.25 J·g-1 ·K-1 at 298.15 K.Thermodynamic functions,relative to those at the standard temperature of 298.15 K,were calculated via thermodynamic relationship.The thermal behavior of the title compound under a non-isothermal condition was studied by differential scanning calorimetry/thermogravimetric（DSC/TG） method.There was an obvious endothermic peak in the DSC curve,the peak temperature was 479.43 K.The compound mass loss was 89.94% observed from the TG curve.

A New Route to the Synthesis of Barium Carbonate Crystals by the Induction of Bacillus Pasteurii

As one of the soil microorganisms, bacillus pasteurii exhibits good urease-produ-cing ability. A novel method is used to prepare BaCO3 crystals by the induction of bacillus pasteurii. The crystals have been characterized by XRD, SEM and FT-IR. X-ray diffraction analysis quantified that the BaCO3 crystals obtained belong to the orthorhombic crystal system. Examination by scanning electron microscopy identified that the BaCO3 crystals have different morphologies under different preparation conditions. FT-IR indicated that surfactant EDTA had great effect on the morphology of BaCO3 crystals. Different morphology crystals had uniform distribution and integral shape. The forming mechanism and influence of EDTA on the morphology of BaCO3 crystals have been discussed.

Sequence-Based Protein Crystallization Propensity Prediction for Structural Genomics: Review and Comparative Analysis

Structural genomics (SG) is an international effort that aims at solving three-dimensional shapes of important biological macro-molecules with primary focus on proteins. One of the main bottlenecks in SG is the ability to produce dif-fraction quality crystals for X-ray crystallogra-phy based protein structure determination. SG pipelines allow for certain flexibility in target selection which motivates development of in- silico methods for sequence-based prediction/ assessment of the protein crystallization pro-pensity. We overview existing SG databanks that are used to derive these predictive models and we discuss analytical results concerning protein sequence properties that were discov-ered to correlate with the ability to form crystals. We also contrast and empirically compare mo- dern sequence-based predictors of crystalliza-tion propensity including OB-Score, ParCrys, XtalPred and CRYSTALP2. Our analysis shows that these methods provide useful and compli-mentary predictions. Although their average ac- curacy is similar at around 70%, we show that application of a simple majority-vote based en-semble improves accuracy to almost 74%. The best improvements are achieved by combining XtalPred with CRYSTALP2 while OB-Score and ParCrys methods overlap to a larger extend, although they still complement the other two predictors. We also demonstrate that 90% of the protein chains can be correctly predicted by at least one of these methods, which suggests that more accurate ensembles could be built in the future. We believe that current protein crystalli-zation propensity predictors could provide useful input for the target selection procedures utilized by the SG centers.

High-resolution x-ray monochromatic imaging for laser plasma diagnostics based on toroidal crystal

Monochromatic x-ray imaging is an essential method for plasma diagnostics related to density information.Large-field high-resolution monochromatic imaging of a He-like iron(Fe XXV)Kαcharacteristic line(6.701 keV)for laser plasma diagnostics was achieved using a developed toroidal crystal x-ray imager.A high-index crystal orientation Ge(531)wafer with a Bragg angle of 75.37°and the toroidal substrate were selected to obtain sufficient diffraction efficiency and compensate for astigmatism under oblique incidence.A precise offline assembly method of the toroidal crystal imager based on energy substitution was proposed,and a spatial resolution of 3-7μm was obtained by toroidal crystal imaging of a 600 line-pairs/inch Au grid within an object field of view larger than 1.0 mm.The toroidal crystal x-ray imager has been successfully tested via side-on backlight imaging experiments of the sinusoidal modulation target and a 1000 line-pairs/inch Au grid with a linewidth of 5μm using an online alignment method based on dual positioning balls to indicate the target and backlighter.This paper describes the optical design,adjustment method,and experimental results of a toroidal crystal system in a laboratory and laser facility.

CRYSTAL STRUCTURE AND X-RAY POWDER DIFFRACTION DATA FOR RE COMPOUND HoNiSb

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Test of a High Throughput Detector on the X-ray Crystal Spectrometer of the EAST

An attempt was made to improve the spatio-temporal resolution of the tangen- tial X-ray crystal spectrometer （XCS） on the Experimental Advanced Superconducting Tokamak （EAST） by evaluating experimentally the applicability of a novel X-ray photon detection tech- nology for measuring the satellite spectra of Ar XVII with a high counting rate. High-resolution experimental data on the profiles of ion temperature and plasma rotation velocity facilitate the studies of the mechanisms underlining important physical phenomena, such as plasma heating, L-H transition and momentum transport. Based on silicon diode array and single-photon counting technology, a relatively small area （83.8 x 33.5 mm~） two-dimensional detector was successfully in- stalled and tested in the recent EAST campaign. X-ray photon counting rate higher than 20 MHz was observed for the first time, and high quality satellite spectra were recorded for ion temperature and plasma rotation measurement, indicating that the new technology is suitable for the next-step high-resolution XCS on EAST, and the deployment of a detector array with a much larger X-ray sensing area is planned for better plasma coverage.

Measurement of integral diffraction coefficients of crystals on beamline 4B7 of Beijing Synchrotron Radiation Facility

Integral diffraction coefficients of the crystal are the essential data of a crystal spectrometer which is extensively used to measure quantitative x-ray spectra of high temperature plasmas in kilo-electron-volt region. An experimental method has been developed to measure the integral diffraction coefficients of crystals on beamline 4B7 of Beijing Synchrotron Radiation Facility. The integral diffraction coefficients of several crystals including polyethylene terephthalate （PET）, thallium acid phthalate （T1AP） and rubidium acid phthalate （RAP） crystals have been measured in the x-ray energy range 2100-5600 eV and compared with the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models. It is shown that the integral diffraction coefficients of these crystals are between the calculations of the ＇Darwin Prins＇ and the ＇Mosaic＇ models, but more close to the ＇Darwin Prins＇ model calculations.

KCl Single Crystals Growth with Mn, Ag and In Impurities by Czochralski Method and Study of Impurities Influence on Their Properties

In this research KCl, KCl:Mn, KCl:Ag and KCl:In single crystals have been grown by Czochralski method. X-ray diffraction confirms KCl single crystal formation. In this work also influence of mentioned impurities on the optical property of KCl single crystal has been studied by chemical etching. Then the hardness of these crystals have been measured by Vickers micro hardness. The result indicate the positive effect of the impurity on optical and mechanical properties.

Structural and Optical Properties of Triglycine Sulfate Single Crystals Doped with Potassium Bromide

Triglycine sulfate crystal and potassium bromide doped triglycine sulfate crystals were grown from aqueous solution by slow evaporation method. Energy dispersive X-ray analysis identifies the elements present in the crystal. The Fourier Transform Infrared spectroscopy has been recorded in the range 400 to 4000 cm-1 and the functional groups of the grown crystals have been identified. The structural studies on the grown crystals were carried out by X-ray diffraction analysis technique and found that the grown crystal crystallizes in monoclinic structure. The lattice cell parameters of pure Triglycine sulfate are a = 9.6010 ?, b = 12.5600 ?, c = 5.4500 ?. Ultraviolet-Visible spectra show that the grown crystals have wide optical transparency in the entire visible region.

Structural Analysis of Hydroxamate Reagents by X-Ray Diffraction

Axis House manufactures and supplies alkyl hydroxamate reagent of various carbon chain lengths for application in flotation of oxide copper and other minerals. As a part of reagent performance improvement, the structural factors of hydroxamate are examined by various analytical tools in particular with X-ray diffraction of single crystals. In a recent publication, the structures of n-octyl hydroxamic acid and its corresponding potassium salt are presented with findings of hydroxamic functional group geometric preference, H-bonding, keto-enol tautomerisation, acid-salt aggregation and alignment of carbon chain. In this paper, an example of branched alkyl hydroxamate3,5,5-trimethyl hexyl hydroxamate. hydroxamate is presented and compared with the result of linear alkyl

Syntheses,Crystal Structure and Thermal Analyses of the Complex of Copper(Ⅱ) with N,N'-Bis-Sal icy1idene-Ethyl enediamine(H_2Salen)

Introduction In recent years, the syntheses, properties and applications of the complexes of transition-metal ions with Schiff bases have been a very interesting subject in coordination chemistry. It has been clearly stated that some of them have certain antitumor

Optical properties of Mg^(2+),Yb^(3+),and Ho^(3+) tri-doped LiNbO_3 crystals

A series of LiNbO_3 crystals tri-doped with Mg^（2＋）,Yb^（3＋）,and Ho^（3＋） are grown by the conventional Czochraski technique.The concentrations of Mg^（2＋）,Yb^（3＋）,and Ho^（3＋） ions in Mg：Yb：Ho：LiNbO_3 crystals are measured by using an inductively coupled plasma atomic emission spectrometry.The x-ray diffraction is proposed to determine the lattice constant and analyze the internal structure of the crystal.The light-induced scattering of Mg：Yb：Ho：LiNbO_3 crystal is quantitatively described via the threshold effect of incident exposure energy flux.The exposure energy（E_r） is calculated to discuss the optical damage resistance ability.The exposure energy of Mg（7 mol）：Yb：Ho：LiNbO3 crystal is 709.17 J/cm^2,approximately 425 times higher than that of the Mg（l mol）：Yb：Ho：LiNbO_3 crystal in magnitude.The blue,red,and very intense green bands of Mg：Yb：Ho：LiNbO_3 crystal are observed under the 980-nm laser excitation to evaluate the up-conversion emission properties.The dependence of the emission intensity on pumping power indicates that the up-conversion emission is a two-photon process.The up-conversion emission mechanism is discussed in detail.This study indicates that Mg：Yb：Ho：LiNbO_3 crystal can be applied to the fabrication of new multifunctional photoluminescence devices.

Measurement of tungsten impurity spectra with a two-crystal X-ray crystal spectrometer on EAST

Spectral measurement of tungsten(W)impurity is essential to study impurity transport.Therefore,an X-ray crystal spectrometer(XCS)on EAST was used to measure the line spectra from highly ionized W ions.On EAST,both poloidal XCS and tangential XCS have been developed to measure the plasma temperature as well as the rotation velocity.Recently,He-like and H-like argon spectra have also been obtained using a two-crystal setup.W lines are identified in this study.Through a careful analysis,the W lines of 3.9336,3.9321,and 3.664(A)are found to be diffracted by He-like or H-like crystals.The lines are confirmed with the NIST database.We also calculated the ion temperature with Doppler broadening of these lines.The ion temperature from the W lines is entirely consistent with that from Ar line spectra.The measurement of these W line spectra could be used to study W impurity transport in future work.