scholarly journals Guiding synchrotron X-ray diffraction by multimodal video-rate protein crystal imaging

2016 ◽  
Vol 23 (4) ◽  
pp. 959-965 ◽  
Author(s):  
Justin A. Newman ◽  
Shijie Zhang ◽  
Shane Z. Sullivan ◽  
Ximeng Y. Dow ◽  
Michael Becker ◽  
...  
Keyword(s):  
Second Harmonic ◽  
Photon Counting ◽  
Protein Crystal ◽  
X Ray Diffraction ◽  
Incident Wavelength ◽  
X Ray ◽  
Two Photon ◽  
Simultaneous Imaging ◽  
Order Of Magnitude ◽  
Simple Change

Synchronous digitization, in which an optical sensor is probed synchronously with the firing of an ultrafast laser, was integrated into an optical imaging station for macromolecular crystal positioning prior to synchrotron X-ray diffraction. Using the synchronous digitization instrument, second-harmonic generation, two-photon-excited fluorescence and bright field by laser transmittance were all acquired simultaneously with perfect image registry at up to video-rate (15 frames s−1). A simple change in the incident wavelength enabled simultaneous imaging by two-photon-excited ultraviolet fluorescence, one-photon-excited visible fluorescence and laser transmittance. Development of an analytical model for the signal-to-noise enhancement afforded by synchronous digitization suggests a 15.6-fold improvement over previous photon-counting techniques. This improvement in turn allowed acquisition on nearly an order of magnitude more pixels than the preceding generation of instrumentation and reductions of well over an order of magnitude in image acquisition times. These improvements have allowed detection of protein crystals on the order of 1 µm in thickness under cryogenic conditions in the beamline. These capabilities are well suited to support serial crystallography of crystals approaching 1 µm or less in dimension.

scholarly journals X-ray diffraction analysis of matter taking into account the second harmonic in the scattering of powerful ultrashort pulses of an electromagnetic field

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. K. Eseev ◽  
A. A. Goshev ◽  
K. A. Makarova ◽  
D. N. Makarov
Keyword(s):  
Electromagnetic Field ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
Second Harmonic ◽  
Ultrashort Pulses ◽  
X Ray Diffraction ◽  
X Ray ◽  
Scattering Spectra ◽  
Technical Possibility ◽  
2D And 3D

AbstractIt is well known that the scattering of ultrashort pulses (USPs) of an electromagnetic field in the X-ray frequency range can be used in diffraction analysis. When such USPs are scattered by various polyatomic objects, a diffraction pattern appears from which the structure of the object can be determined. Today, there is a technical possibility of creating powerful USP sources and the analysis of the scattering spectra of such pulses is a high-precision instrument for studying the structure of matter. As a rule, such scattering occurs at a frequency close to the carrier frequency of the incident USP. In this work, it is shown that for high-power USPs, where the magnetic component of USPs cannot be neglected, scattering at the second harmonic appears. The scattering of USPs by the second harmonic has a characteristic diffraction pattern which can be used to judge the structure of the scattering object; combining the scattering spectra at the first and second harmonics therefore greatly enhances the diffraction analysis of matter. Scattering spectra at the first and second harmonics are shown for various polyatomic objects: examples considered are 2D and 3D materials such as graphene, carbon nanotubes, and hybrid structures consisting of nanotubes. The theory developed in this work can be applied to various multivolume objects and is quite simple for X-ray structural analysis, because it is based on analytical expressions.

Structure and Conductivity of Iodine-Doped C60 Thin Films

1994 ◽  
Vol 359 ◽  
Author(s):  
Jun Chen ◽  
Haiyan Zhang ◽  
Baoqiong Chen ◽  
Shaoqi Peng ◽  
Ning Ke ◽  
...  
Keyword(s):  
Thin Films ◽  
Electrical Conductivity ◽  
Room Temperature ◽  
Conductivity Measurements ◽  
X Ray Diffraction ◽  
Temperature Conductivity ◽  
Room Temperature Conductivity ◽  
X Ray ◽  
Thermally Activated ◽  
Order Of Magnitude

ABSTRACTWe report here the results of our study on the properties of iodine-doped C60 thin films by IR and optical absorption, X-ray diffraction, and electrical conductivity measurements. The results show that there is no apparent structural change in the iodine-doped samples at room temperature in comparison with that of the undoped films. However, in the electrical conductivity measurements, an increase of more that one order of magnitude in the room temperature conductivity has been observed in the iodine-doped samples. In addition, while the conductivity of the undoped films shows thermally activated temperature dependence, the conductivity of the iodine-doped films was found to be constant over a fairly wide temperature range (from 20°C to 70°C) exhibiting a metallic feature.

scholarly journals Fast X-Ray Diffraction (XRD) Tomography for Enhanced Identification of Materials

2021 ◽  
Author(s):  
Airidas Korolkovas ◽  
Alexander Katsevich ◽  
Michael Frenkel ◽  
William Thompson ◽  
Edward Morton
Keyword(s):  
Graphics Processing Unit ◽  
Low Cost ◽  
Photon Counting ◽  
Finite Size ◽  
Processing Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Specific Material ◽  
Xrd Patterns ◽  
Graphics Processing

X-ray computed tomography (CT) can provide 3D images of density, and possibly the atomic number, for large objects like passenger luggage. This information, while generally very useful, is often insufficient to identify threats like explosives and narcotics, which can have a similar average composition as benign everyday materials such as plastics, glass, light metals, etc. A much more specific material signature can be measured with X-ray diffraction (XRD). Unfortunately, XRD signal is very faint compared to the transmitted one, and also challenging to reconstruct for objects larger than a small laboratory sample. In this article we analyze a novel low-cost scanner design which captures CT and XRD signals simultaneously, and uses the least possible collimation to maximize the flux. To simulate a realistic instrument, we derive a formula for the resolution of any diffraction pathway, taking into account the polychromatic spectrum, and the finite size of the source, detector, and each voxel. We then show how to reconstruct XRD patterns from a large phantom with multiple diffracting objects. Our approach includes a reasonable amount of photon counting noise (Poisson statistics), as well as measurement bias, in particular incoherent Compton scattering. The resolution of our reconstruction is sufficient to provide significantly more information than standard CT, thus increasing the accuracy of threat detection. Our theoretical model is implemented in GPU (Graphics Processing Unit) accelerated software which can be used to assess and further optimize scanner designs for specific applications in security, healthcare, and manufacturing quality control.

scholarly journals The Effect of Polyvinyl Alcohol Concentration on the Growth Kinetics of KTiOPO4 Nanoparticles Synthesized by the Co-precipitation Method

2020 ◽  
Vol 1 (4) ◽  
pp. 187-193
Author(s):  
Elaheh Gharibshahian
Keyword(s):  
Polyvinyl Alcohol ◽  
Shape Control ◽  
Second Harmonic ◽  
Precipitation Method ◽  
Capping Agent ◽  
X Ray Diffraction ◽  
X Ray ◽  
Size And Shape ◽  
Diffraction Patterns ◽  
Co Precipitation

KTiOPO4 nanoparticles are known as the best candidate to utilize for second-harmonic generation in multiphoton microscopes and bio labels. Size and shape are important and effective parameters to control the properties of nanoparticles. In this paper, we will investigate the role of capping agent concentration on the size and shape control of KTP nanoparticles. We synthesized KTP nanoparticles by the co-precipitation method. Polyvinyl alcohol with different mole ratios to titanium ion (1:3, 1:2, 1:1) was used as a capping agent. Products were examined by X-ray diffraction patterns and scanning electron microscopy analyses. X-ray diffraction patterns confirmed the formation of the KTP structure. The biggest (56.36nm) and smallest (39.42nm) grain size were obtained by 1:3 and 1:1 mole ratios of capping agent, respectively. Dumbly, spherical and polyhedral forms of KTP nanoparticles were observed by the change in capping agent mole ratio. The narrowest size distribution of KTiOPO4 nanoparticles was obtained at 1:1 mole ratio of capping agent. Doi: 10.28991/HIJ-2020-01-04-06 Full Text: PDF

scholarly journals Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers †

Inorganics ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 38 ◽  
Author(s):  
Elena Lucenti ◽  
Alessandra Forni ◽  
Daniele Marinotto ◽  
Andrea Previtali ◽  
Stefania Righetto ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Second Harmonic ◽  
Protonated Form ◽  
Lewis Acidity ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
X Ray ◽  
Nlo Response ◽  
D10 Metal ◽  
Simple Exposure

The linear and second-order nonlinear optical (NLO) properties of two pyrene-pyridine chromophores, namely, 4-(pyren-1-yl)pyridine (L1) and 4-(2-(pyren-1-yl)ethyl)pyridine (L2), were investigated and modulated by performing protonation/deprotonation cycles or by complexation to d10 metal centers such as Zn(II) and Cu(I) to form the monomeric [Zn(CH3CO2)2(L1)2] complex and the [CuI(L2)]n coordination polymer, respectively. The structures of L1, L2, [Zn(CH3CO2)2(L1)2] and [CuI(L2)]n were determined by means of single-crystal X-ray diffraction studies. The NLO response, measured by the electric-field-induced second harmonic generation (EFISH) technique, was positive for both chromophores and showed an inversion of the sign after exposure to HCl vapors. This process was completely reversible and the original values were restored by simple exposure to NH3 vapors. Coordination of L1 to Zn(II) also resulted in a negative NLO response, although smaller in magnitude compared to the protonated form, due to the weak Lewis acidity of the “Zn(CH3CO2)2” fragment. The results were also interpreted on the basis of DFT/TDDFT calculations.

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Small, Area X-Ray Diffraction Techniques: Errors in Strain Measurement

1987 ◽  
Vol 31 ◽  
pp. 77-85
Author(s):  
Thomas L. Nunes ◽  
Charles C. Goldsmith
Keyword(s):  
Lattice Distortion ◽  
Semiconductor Industry ◽  
Photon Counting ◽  
Random Errors ◽  
X Ray Diffraction ◽  
X Ray ◽  
Analytical Technique ◽  
Beam Displacement ◽  
Counting Statistics ◽  
Area X

AbstractThe semiconductor industry is continually striving'for smaller, denser devices. Microdiffractometry is an analytical technique which endeavors to apply x-ray diffraction techniques for measuring strain and phase information to areas approaching 50 micrometers diameter or less.This study extends the work of Goldsmith and Walker in the measurement of strain using the lattice distortion or sin2(ψ) plot method.The systematic errors arising from both sample and beam displacement relative to the center of rotation of the cample ie examined. A relationship is derived which predicts the influence of these displacements upon the slope of a stress plot. The predictions are compared to experiment.The influence of random errors arising from particle size and photon counting statistics will also be discussed. Guidelines will be presented which will minimize both systematic and random errors.

Suppression of X-Ray Fluorescence Background in X-Ray Powder Diffraction by a Mercuric Iodide Spectrometer

1983 ◽  
Vol 27 ◽  
pp. 307-316
Author(s):  
J. Nissenbaum ◽  
A. Levi ◽  
A. Burger ◽  
M. Schieber ◽  
Z. Burshtein
Keyword(s):  
Powder Diffraction ◽  
Energy Resolution ◽  
Scintillation Counter ◽  
Peak Height ◽  
Maximum Energy ◽  
Mercuric Iodide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Order Of Magnitude ◽  
Diffraction Patterns

AbstractWe have explored the merits of using a Hgl2 spectrometer as a detector in x-ray diffraction systems instead of a proportional gas counter, or a scintillation counter. The full width at half maximum energy resolution of the HgI2 spectrometer used was about 1.1 keV for the CuKα line (8.1 keV), and about 1.5 keV for the MoKα line (17.4 keV), The energy resolution was utilised to eliminate x-ray fluorescence background from powder diffraction spectra. We demonstrate the suppression of Fe x-ray fluorescence in diffraction patterns of ErFe03 obtained with a Cu x-ray tube, and of Y x-ray fluorescence in diffraction patterns of Y2O3 obtained with a Mo x-ray tube. The peak height to background ratios were improved by about an order of magnitude in both cases.

scholarly journals The Influence of Synthesis Parameters on Structural and Magnetic Properties of Iron Oxide Nanomaterials

Nanomaterials ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 85 ◽  
Author(s):  
Laura Madalina Cursaru ◽  
Roxana Mioara Piticescu ◽  
Dumitru Valentin Dragut ◽  
Ioan Albert Tudor ◽  
Victor Kuncser ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Iron Oxide ◽  
Iron Oxides ◽  
Crystalline Phase ◽  
Annealing Treatment ◽  
Particle Size Analysis ◽  
Size Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Order Of Magnitude

Magnetic iron oxides have been used in biomedical applications, such as contrast agents for magnetic resonance imaging, carriers for controlled drug delivery and immunoassays, or magnetic hyperthermia for the past 40 years. Our aim is to investigate the effect of pressure and temperature on the structural, thermal, and magnetic properties of iron oxides prepared by hydrothermal synthesis at temperatures of 100–200 °C and pressures of 20–1000 bar. It has been found that pressure influences the type of iron oxide crystalline phase. Thus, the results obtained by Mössbauer characterization are in excellent agreement with X-ray diffraction and optical microscopy characterization, showing that, for lower pressure values (<100 bar), hematite is formed, while, at pressures >100 bar, the major crystalline phase is goethite. In addition, thermal analysis results are consistent with particle size analysis by X-ray diffraction, confirming the crystallization of the synthesized iron oxides. One order of magnitude higher magnetization has been obtained for sample synthesized at 1000 bar. The same sample provides after annealing treatment, the highest amount of good quality magnetite leading to a magnetization at saturation of 30 emu/g and a coercive field of 1000 Oe at 10 K and 450 Oe at 300 K, convenient for various applications.

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