scholarly journals Integrated nonlinear optical imaging microscope for on-axis crystal detection and centering at a synchrotron beamline

2013 ◽  
Vol 20 (4) ◽  
pp. 531-540 ◽  
Author(s):  
Jeremy T. Madden ◽  
Scott J. Toth ◽  
Christopher M. Dettmar ◽  
Justin A. Newman ◽  
Robert A. Oglesbee ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Phenylalanine Hydroxylase ◽  
Trichinella Spiralis ◽  
Second Harmonic ◽  
Protein Crystal ◽  
Cubic Phase ◽  
X Ray ◽  
Raster Scanning ◽  
Fold Reduction ◽  
Diffraction Patterns

Nonlinear optical (NLO) instrumentation has been integrated with synchrotron X-ray diffraction (XRD) for combined single-platform analysis, initially targeting applications for automated crystal centering. Second-harmonic-generation microscopy and two-photon-excited ultraviolet fluorescence microscopy were evaluated for crystal detection and assessed by X-ray raster scanning. Two optical designs were constructed and characterized; one positioned downstream of the sample and one integrated into the upstream optical path of the diffractometer. Both instruments enabled protein crystal identification with integration times between 80 and 150 µs per pixel, representing a ∼103–104-fold reduction in the per-pixel exposure time relative to X-ray raster scanning. Quantitative centering and analysis of phenylalanine hydroxylase fromChromobacterium violaceumcPAH,Trichinella spiralisdeubiquitinating enzyme TsUCH37, human κ-opioid receptor complex kOR-T4L produced in lipidic cubic phase (LCP), intimin prepared in LCP, and α-cellulose samples were performed by collecting multiple NLO images. The crystalline samples were characterized by single-crystal diffraction patterns, while α-cellulose was characterized by fiber diffraction. Good agreement was observed between the sample positions identified by NLO and XRD raster measurements for all samples studied.

Depth-of-field extension in optical imaging for rapid crystal screening

2021 ◽  
Vol 77 (4) ◽  
pp. 463-470
Author(s):  
Chen Li ◽  
Changqin Ding ◽  
Minghe Li ◽  
Jiayue Rong ◽  
Hilary Florian ◽  
...  
Keyword(s):  
Optical Imaging ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Wavelength Dependence ◽  
Optical Microscope ◽  
Field Extension ◽  
Protein Crystal ◽  
Depth Of Field ◽  
Theoretical Predictions ◽  
Second Harmonic Generation Imaging

The depth of field (DoF) was extended 2.8-fold to achieve rapid crystal screening by retrofitting a custom-designed micro-retarder array (µRA) in the optical beam path of a nonlinear optical microscope. The merits of the proposed strategy for DoF enhancement were assessed in applications of second-harmonic generation imaging of protein crystals. It was found that DoF extension increased the number of crystals detected while simultaneously reducing the number of `z-slices' required for screening. Experimental measurements of the wavelength-dependence of the extended DoF were in excellent agreement with theoretical predictions. These results provide a simple and broadly applicable approach to increase the throughput of existing nonlinear optical imaging methods for protein crystal screening.

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.

X-ray powder diffraction study of K2MSiO4, M=Mg, Zn, Co, Cd

1996 ◽  
Vol 11 (1) ◽  
pp. 51-55 ◽  
Author(s):  
W. A. Dollase
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Site Occupancy ◽  
Cubic Phase ◽  
Variable Degree ◽  
Cubic Symmetry ◽  
X Ray ◽  
Constrained Model ◽  
Diffraction Patterns

The title materials are stuffed cristobalites possessing moderate to extreme pseudosymmetry. On the bases of their X-ray powder diffraction patterns, the Mg, Zn, and Cd compounds had been previously reported as cubic and, more recently, the Zn phase as orthorhombic. Newly measured X-ray powder diffraction data demonstrate that all (including the hitherto unknown Co analog) have the Pca21 structure of Na2BeSiO4 at room temperature, but with a widely variable degree of cubic pseudosymmetry. Observed X-ray diffraction data are in good agreement with those calculated by the Rietveld method using a constrained model with Pca21 M2+/Si site occupancy and pseudocentrosymmetric Pcab atom locations. For the most nearly cubic phase, the Cd compound, there is too little deviation in the pattern from cubic symmetry to support atom coordinate refinement even with the constrained model. In these derivatives of the stuffed cristobalite structure family, M2+ and Si atoms form an ordered tetrahedral array which avoids M2+–O–M2+ connections. Potassium atoms fill all of the intervening large cavity sites.

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.

GROWTH AND CHARACTERIZATION OF A SEMIORGANIC NLO MATERIAL: L-HISTIDINE BARIUM CHLORIDE DIHYDRATE

2016 ◽  
Vol 2 (1) ◽  
pp. 26-30
Author(s):  
Beena T R
Keyword(s):  
Nonlinear Optical ◽  
Room Temperature ◽  
Vickers Microhardness ◽  
Second Harmonic ◽  
Barium Chloride ◽  
Nonlinear Optical Material ◽  
Solvent Evaporation Method ◽  
X Ray ◽  
Chloride Dihydrate

L-Histidine Barium Chloride dihydrate (LHBC), a semi organic nonlinear optical material was grown from aqueous solution by slow solvent evaporation method at room temperature.  The LHBC crystals were characterized by X-ray powder diffraction analysis.  The presence of functional groups was identified through Fourier Transform Infrared Spectroscopy.  Thermogravimetric and Differential Thermal Analysis confirm that the crystal is stable up to 269oC.  The mechanical properties of the grown crystals have been studied using Vickers microhardness test.  The second harmonic generation behavior of LHBC crystal was tested by Kurtz-Perry powder technique.

scholarly journals Crystal Structure of L-Histidinium 2-Nitrobenzoate

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
Subramanian Natarajan ◽  
Kalimuthu Moovendaran ◽  
Jeyaperumal Kalyana Sundar ◽  
Krishnan Ravikumar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
X Ray Diffraction ◽  
Potassium Dihydrogen ◽  
X Ray ◽  
Shg Efficiency

A new nonlinear optical organic compound, namely, L-histidinium 2-nitrobenzoate (abbreviated as LH2NB (I); ([C6H10N3O2]+ [C7H4NO4]−)), was synthesized. The molecular structure of LH2NB (I) was elucidated using single crystal X-ray diffraction technique. The second harmonic generation (SHG) efficiency of this compound is about two times that of the standard potassium dihydrogen phosphate crystals.

scholarly journals Research at the NSF STC for Biology with X-ray lasers

2014 ◽  
Vol 70 (a1) ◽  
pp. C296-C296
Author(s):  
John Spence
Keyword(s):  
Radiation Damage ◽  
Bragg Diffraction ◽  
Cubic Phase ◽  
Short Pulses ◽  
X Ray ◽  
Fast Solution ◽  
Linac Coherent Light Source ◽  
New Ideas ◽  
Diffraction Patterns ◽  
Dynamic Structures

"The NSF BioXFEL Science and Technology Center (STC) is a new consortium of six research campuses devoted to the application of x-ray free-electron lasers (XFELs) to structural biology. Over the last four years a variety of approaches have been made to the observation of protein structure and dynamics for various classes of proteins. The Linac Coherent Light source at SLAC, the first hard-Xray EXFEL, provides intense coherent hard X-ray pulses at 120 Hz which vaporize protein when focussed to a sub-micron beam. Atomic-resolution Bragg diffraction patterns are nevertheless obtained using 50 fs pulses prior to the onset of significant damage, in this ""diffract-then-destroy"" mode, which outruns radiation damage. This use of short pulses instead of freezing samples to reduce radiation damage therefore opens the way to the study of protein dynamics at room temperature in a native environment. I'll review the work of several groups using a range of approaches to different types of sample, including the following: 1. Differences between the frozen sychrotron structure of GPCR proteins and the RT XFEL structure [1]. 2. Pump-probe dynamic structures in Photosynthesis [2]. 3. XFEL study of 2D protein crystals [3]. 4. Prospects for improved resolution in XFEL imaging from single particles such as viruses, where patterns can be obtained from a single virus. 5. New ideas - the Lipid Cubic Phase injector (which allows protein nanocrystals to be studied also at sychrotrons) [4], prospects for fast Laue diffraction using coherent attosecond X-ray lasers, ab-initio phasing [5], the use of angular correlation functions for analysis of fast solution scattering, and two-color opportunites for serial femtosecond crystallography (SFX). See [6] for a recent review of the field. 1. W.Liu et al Science 342, 1521 (2013) 2. A.Aquila et al Optics Express 20, 2706 (2012) 3. M.Frank et al IUCrJ (2014) In press. 4. U.Weierstall et al Nature Comms. (2014) In press. 5. J. Spence et al Optics Express 19, 2866 (2011). 6. J. Spence et al Rep. Prog. Phys. 75, 102601 (2012)."

scholarly journals Growth, structural and optical properties of novel nonlinear optical potassium phthalate di lithium borate (KPDLiB) single crystals

2020 ◽  
Vol 38 (2) ◽  
pp. 214-218
Author(s):  
K. Mohanraj ◽  
D. Balasubramanian ◽  
N. Jhansi
Keyword(s):  
Single Crystals ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Visible Region ◽  
Fluorescence Emission ◽  
Lithium Borate ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Evaporation Technique

AbstractNovel nonlinear optical semi-organic, potassium phthalate di lithium borate (KPDLiB) single crystals were successfully grown by the slow solvent evaporation technique. Good crystalline nature and an orthorhombic structure were confirmed by powder X-ray diffraction and single crystal X-ray diffraction studies. The functional groups of KPDLiB were identified using FT-IR spectrum recorded in the range of 4000 cm−1 to 450 cm−1. UV-Vis spectrum showed transmitting ability of the crystals in the entire visible region. The photoluminescence spectrum exhibited good fluorescence emission in a visible region at 384 nm, 416 nm and 578 nm. The second harmonic generation efficiency of the grown crystal was evaluated from Kurtz powder technique.

Synthesis, Crystal Structure, Luminescence, and Nonlinear Optical Properties of 2-[(E)-[[4-[2-(4-Methoxyphenyl)ethynyl]phenyl] imino]methyl]-4- [(E)-phenyldiazenyl]phenol

2020 ◽  
Vol 17 (8) ◽  
pp. 618-623
Author(s):  
Sagar Subhash Mohite ◽  
Aditya Babasaheb Patil-Deshmukh ◽  
Sanjay Shamrao Chavan
Keyword(s):  
Crystal Structure ◽  
Optical Properties ◽  
Nonlinear Optical ◽  
Room Temperature ◽  
Second Harmonic ◽  
Monoclinic Structure ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Shg Efficiency ◽  
Room Temperature Luminescence

2-((E)-((4-((4-methoxyphenyl)ethynyl)phenyl)imino)methyl-4-((E)phenyldiazenyl)phenol (1) have been synthesized and characterized. X-ray single crystal diffraction study of the compound 1 reveal a monoclinic structure. Room temperature luminescence is observed for 1 in CH2Cl2 solution due to π* → π transition. The SHG efficiency by Kurtz powder technique indicating the compound 1 displayed the second harmonic generation (SHG) property.

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