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Sample records for crystal dimethylammonium picrate

  1. Crystal growth, structure and characterization of p-Toluidinium picrate

    NASA Astrophysics Data System (ADS)

    Muthu, K.; Meenakshisundaram, Subbiah

    2012-08-01

    p-Toluidinium picrate (PTP), is a proton transfer complex of 2,4,6-trinitrophenol as an electron acceptor with p-toluidine as electron donor, crystallizing in the monoclinic system with four molecules in the unit cell (space group P21/c). The vibrational patterns of the organic crystal PTP in comparison with that of the parent compound clearly evidences the complex formation. Loss of hydroxyl proton at O1 leading to specific electron delocalization around C1 is observed. Crystallographic data are reported as a=12.9304(6) Å, b=15.7176(7) Å, c=7.5403(4) Å, β=101.837(5)°. The crystalline cohesion is achieved by N-H…O and C-H…O hydrogen bonds and the ions are linked into three dimensional network. Intermolecular hydrogen bonding between nitrogen of p-toluidine and phenolate ion of picric acid results in charge transfer. A sharp endotherm in the DSC curve, no decomposition up to the melting point and poor absorbance in the visible region indicate the suitability of the material for potential applications.

  2. Physicochemical properties of dimethylammonium p-nitrophenolate- p-nitrophenol: A nonlinear optical crystal

    NASA Astrophysics Data System (ADS)

    Rathika, A.; Prasad, L. Guru; Raman, R. Ganapathi

    2016-03-01

    Single crystals of Dimethylammonium p-nitrophenolate-p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.

  3. Vibrational and third-order nonlinear optical study on hydroxyethylammonium picrate (HEAP) single crystals

    NASA Astrophysics Data System (ADS)

    Sudharsana, N.; Nagalakshmi, R.; Krishnakumar, V.; Sharma, A.; Fausto, R.; Row, T. N. Guru; Pal, Rumpa

    2012-06-01

    Single crystals of hydroxyethylammonium picrate (C8 H10N4O8; HEAP) have been grown for the first time by slow evaporation solution growth technique at room temperature, using ethanol as solvent. FT-IR and Raman spectra were recorded for HEAP at room temperature. The main vibrational bands related to NH3+ and CO- (picrate) groups, involved in charge transfer, are discussed. Second-order hyperpolarizability(γ) for the single crystal was evaluated theoretically to be 3.48×10-28 e.s.u. A Z-scan study of HEAP showed that the relative third-order nonlinear refractive index is -9.2×10-5cm2/W. The measured third-order nonlinear properties confirm the suitability of the crystal for optical limiting and switching applications.

  4. Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate

    PubMed Central

    Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D.

    2017-01-01

    In the crystal structure of the title compound, 5-fluoro­cytosinium picrate, C4H5FN3O+·C6H2N3O7 −, one N heteroatom of the 5-fluoro­cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA−) anion. In the crystal, the 5FC+ cation inter­acts with the PA− anion through three-centre N—H⋯O hydrogen bonds, forming two conjoined rings having R 2 1(6) and R 1 2(6) motifs, and is extended by N—H⋯O hydrogen bonds and C—H⋯O inter­actions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F⋯π inter­actions. PMID:28316809

  5. Synthesis, crystal structure, crystal growth and physical properties of N,N-diethyl anilinium picrate

    NASA Astrophysics Data System (ADS)

    Subramaniyan @ Raja, R.; Anandha Babu, G.; Ramasamy, P.

    2011-11-01

    Crystalline substance of N,N-diethyl anilinium picrate (NNDEAP) has been synthesized and single crystals of NNDEAP were successfully grown for the first time by the slow evaporation solution growth technique at room temperature with dimensions 14×10×10 mm3. The formation of the new crystal has been confirmed by single crystal X-ray diffraction studies. The structural perfection of the grown crystal was analyzed by high resolution X-ray diffraction (HRXRD) measurements. The functional groups of NNDEAP have been identified by Fourier transform infrared spectral studies. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) have also been carried out and the thermal behavior of NNDEAP has been studied. The UV-vis-NIR studies have been carried out to identify the optical transmittance and the cut off wavelength of NNDEAP is identified. The dielectric loss and the dielectric constant as a function of frequency and temperature were measured for the grown crystal and the nature of variation of dielectric constant εr and dielectric losses (tan δ) were studied. Vicker's hardness test has been carried out on NNDEAP to measure the load dependent hardness. The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser.

  6. Growth and characterization of N,N-diethyl anilinium picrate (NNDEAP) single crystals

    NASA Astrophysics Data System (ADS)

    Subramaniyan, R.; Anandha, G. Babu; Ramasamy, P.

    2013-02-01

    Crystalline substance of N,N-diethyl anilinium picrate (NNDEAP) has been synthesized and single crystals of NNDEAP were successfully grown for the first time by the slow evaporation solution growth technique at room temperature with dimensions 14×14×10 mm3. The formation of new crystal has been confirmed by single crystal X-ray diffraction. The grown crystals were characterized by HRXRD and UV-Vis NIR transmission analysis. The third order nonlinear optical parameters (nonlinear refractive index and nonlinear absorption coefficient) were determined by the Z-scan technique. It was found to be in the order of -7.91×10-8cm2/W and -5.71×10-4cm/W.

  7. Crystal structure of 3-methyl-pyridinium picrate: a triclinic polymorph.

    PubMed

    Gomathi, Jeganathan; Kalaivani, Doraisamyraja

    2015-10-01

    The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 3-methyl-pyridinium 2,4,6-tri-nitro-phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P21/n) has been reported [Stilinovic & Kaitner (2011 ▸). Cryst. Growth Des. 11, 4110-4119]. In the crystal, the anion and cation are linked via bifurcated N-H⋯(O,O) hydrogen bonds, enclosing an R 1 (2)(6) graph-set motif. These units are linked via C-H⋯O hydrogen bonds, forming a three-dimensional framework. Within the framework there are π-π inter-actions present, involving inversion-related picrate anions and inversion-related pyridinium cations, with inter-centroid distances of 3.7389 (14) and 3.560 (2) Å, respectively.

  8. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate

    NASA Astrophysics Data System (ADS)

    Edwin, Bismi; Amalanathan, M.; Hubert Joe, I.

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H⋯O and N-H⋯O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  9. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate.

    PubMed

    Edwin, Bismi; Amalanathan, M; Hubert Joe, I

    2012-10-01

    Vibrational spectral analysis and quantum chemical computations based on density functional theory (DFT) have been performed on the organic crystal L-prolinium picrate (LPP). The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers of LPP have been investigated using B3LYP method. The calculated molecular geometry has been compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA 4 program. The various intramolecular interactions confirming the biological activity of the compound have been exposed by natural bond orbital analysis. The distribution of Mulliken atomic charges and bending of natural hybrid orbitals associated with hydrogen bonding also reflects the presence of intramolecular hydrogen bonding thereby enhancing bioactivity. The analysis of the electron density of HOMO and LUMO gives an idea of the delocalization and low value of energy gap indicates electron transport in the molecule and thereby bioactivity. Vibrational analysis reveals the presence of strong O-H···O and N-H···O interaction between L-prolinium and picrate ions providing evidence for the charge transfer interaction between the donor and acceptor groups and is responsible for its bioactivity.

  10. Hydrogen bonding in the crystal structure of the molecular salt of pyrazole-pyrazolium picrate.

    PubMed

    Su, Ping; Song, Xue-Gang; Sun, Ren-Qiang; Xu, Xing-Man

    2016-06-01

    The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-tri-nitro-phenolate-1H-pyrazole (1/1)], H(C3H4N2)2 (+)·C6H2N3O7 (-), consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N-H⋯N hydrogen bond is disordered over both symmetry-unique pyrazole mol-ecules with occupancies of 0.52 (5) and 0.48 (5). In the crystal, the component ions are linked into chains along [100] by two different bifurcated N-H⋯(O,O) hydrogen bonds. In addition, weak C-H⋯O hydrogen bonds link inversion-related chains, forming columns along [100].

  11. Growth, spectral, dielectric and antimicrobial studies on 4-piperidinium carboxylamide picrate crystals

    NASA Astrophysics Data System (ADS)

    Dhanabal, T.; Tharanitharan, V.; Amirthaganesan, G.; Dhandapani, M.

    2014-07-01

    Single crystal of 4-piperidinium carboxylamide picrate was grown by slow evaporation solution growth technique at ambient temperature. The average dimensions of grown crystal were 0.7 × 0.3 × 0.2 cm3. The solubility of the compound was analyzed using methanol and acetone. Optical property of the compound was ascertained by UV-visible absorption spectral study. The sharp and well defined Bragg peaks observed in the powder X-ray diffraction pattern confirm its crystallinity. The different kinds of protons and carbons in the compound were confirmed by 1H and 13C NMR spectral analyses. The presence of various functional groups in the compound was assigned through polarized Raman spectral study. The mechanical property of the crystal was measured by Vicker's microhardness test and the compound was found to be soft material. The dielectric constant and dielectric loss of the crystal decrease with increase in frequency. The antibacterial and antifungal activities of the crystal were studied by disc diffusion method and found that the compound shows good inhibition efficiency against various bacteria and fungi species.

  12. Structural, thermal, optical and nonlinear optical properties of ethylenediaminium picrate single crystals

    NASA Astrophysics Data System (ADS)

    Indumathi, C.; T. C., Sabari Girisun; Anitha, K.; Alfred Cecil Raj, S.

    2017-07-01

    A new organic optical limiting material, ethylenediaminium picrate (EDAPA) was synthesized through acid base reaction and grown as single crystals by solvent evaporation method. Single crystal XRD analysis showed that EDAPA crystallizes in orthorhombic system with Cmca as space group. The formation of charge transfer complex during the reaction of ethylenediamine and picric acid was strongly evident through the recorded Fourier Transform Infra Red (FTIR), Raman and Nuclear Magnetic Resonance (NMR) spectrum. Thermal (TG-DTA and DSC) curves indicated that the material possesses high thermal stability with decomposition temperature at 243 °C. Optical (UV-Visible-NIR) analysis showed that the grown crystal was found to be transparent in the entire visible and NIR region. Z-scan studies with intense short pulse (532 nm, 5 ns, 100 μJ) excitations, revealed that EDAPA exhibited two photon absorption behaviour and the nonlinear absorption coefficient was found to be two orders of magnitude higher than some of the known optical limiter like Cu nano glasses. EDAPA exhibited a strong optical limiting action with low limiting threshold which make them a potential candidate for eye and photosensitive component protection against intense short pulse lasers.

  13. The crystal structures of 3-TAPAP in complexes with the urokinase-type plasminogen activator and picrate.

    PubMed

    Zesławska, Ewa; Jacob, Uwe; Stürzebecher, Jörg; Oleksyn, Barbara J

    2006-01-01

    The urokinase-type plasminogen activator (uPA) is a protein involved in tissue remodeling and other biological processes. The inhibitors of uPA have been shown to prevent the spread of metastasis and tumor growth, and accordingly this enzyme is widely accepted as a promising anticancer target. In this work, we have investigated the conformation of the uPA inhibitor 3-TAPAP in two different crystalline environments of a picrate and a uPA complex. These structures were compared to the known structure of the 3-TAPAP in the complex with trypsin. In the complexes with the proteins, trypsin, and uPA, the binding mode of 3-TAPAP is similar. A larger difference in the conformation, in the comparison to these structures, has been observed by us in the 3-TAPAP picrate crystal. This observation contradicts the hypothesis that 3-TAPAP derivatives inhibit serine proteinases in preformed stable conformations.

  14. Synthesis, Crystal Growth and Characterization of bis Dl-Valine Picrate Single Crystal for Second-Order Nonlinear Optical Applications

    NASA Astrophysics Data System (ADS)

    Silambarasan, A.; Krishna Kumar, M.; Sudhahar, S.; Thirunavukkarasu, A.; Mohan Kumar, R.; Umarani, P. R.

    2013-08-01

    An organic compound Bis DL-Valine picrate (BDLVP) was synthesized successfully and single crystal was grown by slow evaporation solution growth method. The presence of functional groups in the compound was identified by FTIR spectral analysis. Single crystal X-ray diffraction study revealed that the grown crystal belongs to P21/n space group of monoclinic crystal system. Powder X-ray diffraction pattern was recorded to know the crystalline perfection of the grown crystal. The reaction mechanism, thermal decomposition stages and thermal stability of the grown crystal were studied by using TG/DTA analysis. From the UV-visible spectral study, the electronic band gap energy (Eg) of the grown crystal was found to be 2.43 eV. The second harmonic generation (SHG) efficiency of grown crystal was found to be 1.3 times higher than KDP crystal by using Kurtz powder SHG technique. The microhardness property of the grown crystal was examined by Vicker's microhardness test.

  15. Crystal structure of a second triclinic polymorph of 2-methyl-pyridinium picrate.

    PubMed

    Gomathi, Jeganathan; Kalaivani, Doraisamyraja

    2015-11-01

    The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 2-methyl-pyridinium 2,4,6-tri-nitro-phenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anions via bifurcated N-H⋯(O,O) hydrogen bonds, generating R 1 (2)(6) graph-set motifs. Numerous C-H⋯O hydrogen bonds are observed between these cation-anion pairs, which result in a three-dimensional network. In addition, weak aromatic π-π stacking between the 2-methyl-pyridinium rings [inter-centroid distance = 3.8334 (19) Å] and very weak stacking [inter-centroid distance = 4.0281 (16) Å] between inversion-related pairs of picrate anions is observed. The title salt is a second triclinic polymorph of the structure (also with Z' = 2) reported earlier [Anita et al. (2006). Acta Cryst. C62, o567-o570; Chan et al. (2014 ▸). CrystEngComm, 16, 4508-4538]. In the title compound, the cations and anions display a chequerboard arrangement when viewed down [100], whereas in the first polymorph, (010) layers of alternating cations and anions are apparent in a [100] view. It is inter-esting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different.

  16. Fabrication of optical element from unidirectional grown imidazole-imidazolium picrate monohydrate (IIP) organic crystals for nonlinear optical applications

    NASA Astrophysics Data System (ADS)

    Vivek, P.; Murugakoothan, P.

    2014-12-01

    Nonlinear optical bulk single crystal of Imidazole-imidazolium picrate monohydrate (IIP) has been grown by Sankaranarayanan-Ramasamy (SR) method using acetonitrile as solvent. First time we report the bulk growth of IIP crystal by SR method. The transparent IIP single crystal of maximum diameter 21 mm and length 46 mm was obtained by employing SR method. The grown crystal was subjected to high resolution X-ray diffraction, UV-vis-NIR transmittance, refractive index, hardness, dielectric and laser damage threshold studies. The crystalline perfection of the grown crystal was analyzed using HRXRD. Cut off wavelength and optical transmission window of the crystal was assessed by UV-vis-NIR and the refractive index of the crystal was found. The mechanical property of the crystal was estimated by Vicker's hardness test. The dielectric property of the crystal was measured as a function of frequency. The laser damage threshold value was determined. The particle size dependent second harmonic generation efficiency for IIP was evaluated with standard reference material potassium dihydrogen phosphate (KDP) by Kurtz-Perry powder method using Nd:YAG laser, which established the existence of phase matching. The second harmonic generation (SHG) of IIP crystal was investigated by the SHG Maker fringes technique. The mechanism of growth is revealed by carrying out chemical etching using acetonitrile as etchant.

  17. Synthesis, structural and spectral characterization of a novel NLO crystal N,N‧-diphenylguanidinium picrate: diacetone solvate

    NASA Astrophysics Data System (ADS)

    Shanmugavadivu, T.; Dhandapani, M.; Naveen, S.; Lokanath, N. K.

    2017-09-01

    An organic NLO active material N,N‧-diphenylguanidinium picrate: diacetone solvate (C13H14N3+. C6H2N3O7-. 2C3H6O) (DPGPD) was synthesized and single crystals were grown by slow evaporation-solution growth technique at room temperature. DPGPD crystallizes in monoclinic crystal system with noncentrosymmetric space group, Cc confirmed by single crystal X-ray diffraction analysis. The presence of various functional groups was identified from FT-IR spectral analysis and the proton transfer during the formation of compound was confirmed by NMR spectroscopic techniques. The thermal stability was investigated by TG/DTA analyses. Optical transmittance was measured by UV-Vis-NIR spectroscopy and band gap energy was calculated. Photoluminescence spectrum was used to explore its applicability towards laser diodes. Dielectric property of the material was ascertained at different temperatures and it is found that the grown crystal has higher dielectric constant in low frequencies. Photoconductivity study revealed that DPGPD exhibits positive photoconductivity. SHG property was found to be 0.6 times higher than that of KDP.

  18. Spectral, crystal structure, thermal and antimicrobial characterisation of an organic charge transfer complex-3,5-dimethylpyrrazolinium picrate

    NASA Astrophysics Data System (ADS)

    Dhanabal, T.; Amirthaganesan, G.; Dhandapani, M.; Das, Samar K.

    2013-03-01

    A novel organic charge transfer complex, 3,5-dimethylpyrrazolinium picrate was grown and crystallized by slow evaporation solution growth method at room temperature. The absorption of the grown crystal was studied using UV-visible spectral analysis and observed that the crystal possesses minimum absorption between 250 and 900 nm. The lower cut-off wavelength and the optical transmittance window were identified by optical transmittance study. The emission spectrum of the complex shows peaks at 505 and 758 nm are due to the green and red fluorescence emissions respectively. The thermogravimetry-differential thermal analyses (TG-DTA) were used to investigate the thermal stability of the complex. The single crystal X-ray diffraction method indicates that the complex crystallizes in monoclinic system with space group P2(1)/C. The FTIR and polarised Raman spectra were used to confirm the presence of various functional groups. The different kinds of protons and carbons were assigned through NMR (1H and 13C) spectroscopic techniques. The nonlinear optical property (NLO) of the material was studied by modified Kurtz-Perry powder technique. The complex exhibits good antibacterial and antifungal activities against various bacteria and fungi species.

  19. Crystal structure, thermal and optical properties of Benzimidazole benzimidazolium picrate crystal

    NASA Astrophysics Data System (ADS)

    Jagadesan, A.; Peramaiyan, G.; Srinivasan, T.; Kumar, R. Mohan; Arjunan, S.

    2016-02-01

    A new organic framework of benzimidazole with picric acid has been synthesized. A single crystal with a size of 38×10×4 mm3 was grown by a slow evaporation solution growth technique. X-ray diffraction study revealed that the BZP crystal belongs to triclinic system with space group P-1. High resolution X-ray diffraction study shows the absence of grain boundaries without any defects. The thermal stability and specific heat capacity of BZP were investigated by TG/DT and TG/DSC analyses. From the UV-vis-NIR spectral study, optical transmission window and band gap of BZP were found out. The nonlinear refractive index (n2) and third order susceptibility Re(χ(3)) values of BZP crystal are estimated to be 1.73×10-7 cm2/W and 1.26×10-5 esu, respectively using a Z-scan technique.

  20. A study on Fourier transform infrared spectroscopy, thermal, mechanical, NLO and laser damage properties on unidirectional Glycinium Picrate Mono Glycine crystal

    NASA Astrophysics Data System (ADS)

    Thilagavathy, S. R.; Rajesh, P.; Ramasamy, P.; Ambujam, K.

    2013-11-01

    By directional solidification, single crystal of Glycinium Picrate Mono Glycine (GPMG) was successfully grown by Sankaranarayanan-Ramasamy (SR) method. An optically transparent crystal of GPMG has been grown along <0 1 1> plane by a mixed solvent of acetone and double distilled water. The evaporation rate was controlled and a single crystal of 12 mm diameter and 35 mm length was obtained. Single crystal X-ray diffraction, Fourier Transform Infrared Spectroscopy (FTIR), thermal, mechanical, SHG and laser damage studies were carried out. The results are discussed in detail.

  1. A study on Fourier transform infrared spectroscopy, thermal, mechanical, NLO and laser damage properties on unidirectional Glycinium Picrate Mono Glycine crystal.

    PubMed

    Thilagavathy, S R; Rajesh, P; Ramasamy, P; Ambujam, K

    2013-11-01

    By directional solidification, single crystal of Glycinium Picrate Mono Glycine (GPMG) was successfully grown by Sankaranarayanan-Ramasamy (SR) method. An optically transparent crystal of GPMG has been grown along 〈011〉 plane by a mixed solvent of acetone and double distilled water. The evaporation rate was controlled and a single crystal of 12mm diameter and 35mm length was obtained. Single crystal X-ray diffraction, Fourier Transform Infrared Spectroscopy (FTIR), thermal, mechanical, SHG and laser damage studies were carried out. The results are discussed in detail. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Crystal growth, perfection, linear and nonlinear optical, photoconductivity, dielectric, thermal and laser damage threshold properties of 4-methylimidazolium picrate: an interesting organic crystal for photonic and optoelectronic devices

    NASA Astrophysics Data System (ADS)

    Rajesh, K.; Arun, A.; Mani, A.; Praveen Kumar, P.

    2016-10-01

    The 4-methylimidazolium picrate has been synthesized and characterized successfully. Single and powder x-ray diffraction studies were conducted which confirmed the crystal structure, and the value of the strain was calculated. The crystal perfection was determined by a HRXR diffractometer. The transmission spectrum exhibited a better transmittance of the crystal in the entire visible region with a lower cut-off wavelength of 209 nm. The linear absorption value was calculated by the optical limiting method. A birefringence study was also carried out. Second and third order nonlinear optical properties of the crystal were found by second harmonic generation and the z-scan technique. The crystals were also characterized by dielectric measurement and a photoconductivity analyzer to determine the dielectric property and the optical conductivity of the crystal. The laser damage threshold activity of the grown crystal was studied by a Q-switched Nd:YAG laser beam. Thermal studies established that the compound did not undergo a phase transition and was stable up to 240 °C.

  3. Tramadolium picrate

    PubMed Central

    Siddaraju, B. P.; Dutkiewicz, Grzegorz; Yathirajan, H. S.; Kubicki, Maciej

    2012-01-01

    In the title salt {systematic name: [2-hy­droxy-3-(3-meth­oxy­phen­yl)cyclo­hexyl­meth­yl]dimethyl­aza­nium 2,4,6-trinitro­phenol­ate}, C16H26NO2 +·C6H2N3O7 −, the cation is protonated at the N atom. The cyclo­hexane ring adopts a chair conformation with the hy­droxy substituent in an axial position. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the cations and anions into supra­molecular chains along [100]. PMID:22412513

  4. A V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine and its picrate Mn(II) complex: synthesis, crystal structure and DNA-binding properties.

    PubMed

    Wu, Huilu; Huang, Xingcai; Yuan, Jingkun; Kou, Fan; Jia, Fei; Liu, Bin; Wang, Kaitong

    2010-11-01

    A V-shaped ligand 2,6-bis(2-benzimidazolyl)pyridine (bbp) and its picrate Mn(II) complex have been synthesized and characterized by elemental analysis, molecular conductivities, (1)H NMR, IR, UV-vis spectra and X-ray single crystal diffraction. The crystal structure of [Mn(bbp)(2)](pic)(2)·2DMF is six-coordinated forming a distorted octahedron. The DNA-binding properties of the two compounds were investigated by electronic absorption spectra, fluorescence spectra and viscosity measurements. The experimental results suggest that the two compounds bind to DNA in an intercalation mode. The main reason of the DNA-binding behaviors may be the large coplanar aromatic rings in the V-shaped ligand. As compared to the DNA-binding affinities of the two compounds, the Mn(II) complex is stronger than bbp. This may be due to the V-shaped angle changed.

  5. Amitriptylinium picrate: conformational disorder.

    PubMed

    Bindya, S; Wong, Wing-Tak; Ashok, M A; Yathirajan, H S; Rathore, R S

    2007-09-01

    In the structure of the title salt [systematic name: 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-aminium 2,4,6-trinitrophenolate] of a tricyclic antidepressant, C(20)H(24)N+.C(6)H(2)N(3)O(7)-, the dimethylaminopropyl subunit possesses a classical static conformational disorder. The central cycloheptadiene ring adopts a bent conformation that is intermediate between boat and chair forms, leading to a butterfly shape for the hetero-tricyclic moiety. In a complementary fashion, donors from amitriptyline and acceptors from picrate form intermolecular C-H...O hydrogen bonds and N-H...O salt bridges. These hydrogen bonds cluster amitriptyline and picrate ions into a closed R4(4)(36) hetero-tetramer, whereas intermolecular C-H...pi interactions between amitriptyline ions cluster them into homo-dimers. Significant pi-pi stacking interactions are also observed between aromatic rings of amitriptyline and picrate, and these, combined with the C-H...pi interactions, associate molecules into linear arrays along the [111] direction.

  6. Structure and vibrational spectra of L-alanine L-alaninium picrate monohydrate

    NASA Astrophysics Data System (ADS)

    Ghazaryan, V. V.; Fleck, M.; Petrosyan, A. M.

    2012-05-01

    Preparation, crystal and molecular structure as well as vibrational spectra of the crystal L-alanine L-alaninium picrate monohydrate are described. The title crystal is monoclinic, space group P21. The asymmetric unit contains one dimeric (L-Ala⋯L-Ala+) cation, one picrate anion and a water molecule. The O⋯O distance in the dimeric cation is equal to 2.553(2) Å. The IR and Raman spectra are interpreted based on the structure.

  7. Preparation, crystal structure and luminescent properties of the (6,3) type network supramolecular lanthanide picrate complexes with 2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide

    SciTech Connect

    Wang Qin; Tang Kuanzhen; Liu Weisheng; Tang Yu; Tan Minyu

    2009-11-15

    Solid complexes of lanthanide picrates with a new podand-type ligand, 2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide (L) have been prepared and characterized by elemental analysis, conductivity measurements, IR and electronic spectroscopies. The crystal and molecular structures of the coordination polymer {l_brace}[Eu{sub 2}L{sub 3}(Pic){sub 6}].(CHCl{sub 3}){sub 3}.(H{sub 2}O){sub 0.5}{r_brace}{sub n} have been determined by single-crystal X-ray diffraction, and the structure displays a two-dimensional honeycomb-like framework in the ab plane, which can be regarded as a (6,3) topological network with europium atoms acting as 'three-connected' centers. Furthermore, the coordination layers are linked by the intermolecular hydrogen bonds to form a three-dimensional (3-D) netlike supermolecule. Under excitation, Eu complex exhibited characteristic emissions. The lowest triplet state energy level of the ligand indicates that the triplet state energy level of the ligand matches better to the resonance level of Eu(III) than Tb(III) ion. - Graphical abstract: The (6,3) type network supramolecular luminescent lanthanide picrate complexes {l_brace}Ln{sub 2}L{sub 3}(Pic){sub 6}{r_brace}{sub n} (L=2,2'-[(1,2-naphthalene)bis(oxy)]bis[N-(phenylmethyl)]acetamide) displaying a two-dimensional honeycomb-like framework have been designed and prepared.

  8. Synthesis, spectroscopic (UV-Vis, FT-IR and NMR), single crystal XRD of 3,5-diethyl -2,6-di(thiophen-2-yl)piperidin-4-on-1-ium picrate: A comprehensive experimental and computational study

    NASA Astrophysics Data System (ADS)

    Arockia doss, M.; Rajarajan, G.; Thanikachalam, V.; Selvanayagam, S.; Sridhar, B.

    2017-01-01

    A piperidin-4-one containing picrate 3,5-diethyl -2,6-di(thiophen-2-yl)piperidin-4-on-1-ium picrate [3,5-DPPP] was synthesized. The molecular structure of 3,5-DPPP was confirmed by FT-IR, NMR, Uv-Vis, single crystal XRD analysis and DFT and HF methods with 6-31G(d,p) basis set. The XRD data confirm the transfer of protons from picric acid (O2) to piperidin-4-one ring (N1). The 3,5-DPPP compound is stabilized by the presence of intermolecular and intramolecular hydrogen bonds (N-H⋯O, C-H⋯S and C-H⋯O). Density functional theory and HF calculations have been used widely for calculating a wide variety of molecular properties such as optimized structure, FT-IR and Uv-Vis spectra, and provided reliable results which are in agreement with experimental data. The charge density data have been used to understand the properties of molecular systems. Furthermore, several quantum chemical insights have been obtained in the form of the total and partial density of states, the HOMO-LUMO energy gap and electrostatic potential map etc. In addition, the polarizability and first hyperpolarizability were calculated to show the potential applications of 3,5-DPPP in nonlinear optics.

  9. Study of the cerium(IV)-picrate system in acetonitrile.

    PubMed

    Kratochvil, B; Tipler, M; McKay, B

    1966-07-01

    A potentiometric and spectrophotometric study has been made of the reaction between hexanitratocerate and picrate in dry acetonitrile. Several cerium(IV)-picrate complexes are formed; the formation constant for the first is estimated to be 4 from spectrophotometric measurements. The catalytic effect of picrate on hydroquinone oxidation by nitratocerate is postulated to be due to more rapid electron transfer by cerium picrate complexes.

  10. Synthesis and crystal structure of a ternary copper(II) complex of 2,2‧-bipyridine and picrate: Molecular docking, reactivity towards DNA and in vitro anticancer activity

    NASA Astrophysics Data System (ADS)

    Zheng, Kang; Jiang, Man; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei

    2014-01-01

    A new mononuclear ternary copper(II) complex with mixed ligands of 2,2‧-bipyridine (bpy) and picrate (pic), namely [Cu(bpy)(pic)2], has been synthesized and characterized by elemental analysis, molar conductivity measurement, IR and electronic spectral studies, and single-crystal X-ray diffraction. The crystal structure analysis reveals the presence of two crystallographic independent molecules in an asymmetric unit. The copper(II) atoms are in elongated octahedral coordination geometries. A three-dimensional supermolecular network is formed through non-classical C-H⋯O hydrogen bonds. The DNA-binding properties of the copper(II) complex are investigated both theoretically and experimentally, revealing that the copper(II) complex can interact with HS-DNA in the mode of intercalation, and the molecular docking of the copper(II) complex with the self-complementary DNA duplex of sequence d(ACCGACGTCGGT)2 facilitates the binding events. The in vitro anticancer activities suggest that the copper(II) complex is active against the selected tumor cell lines.

  11. Synthesis and spectral investigations of pyridinium picrate

    NASA Astrophysics Data System (ADS)

    Meddour, Athmane; Azizi, Abdelkader

    2017-01-01

    This article describes the vibrational spectra of a crystalline compound called "Pyridinium Picrate. The vibrational spectra measurements were recorded as a function of temperature by both FT-IR and Raman spectroscopy. The presence of various functional groups and modes of their vibrations were assigned and followed evolutions. The stability of the crystalline compound arising from has been analyzed using DSC analysis. This crystal composed of two symmetry groups C2v and P-1 respectively named phase I and II, this transition was followed by a function of temperature and XRD, is agreement with crystal structure data. In the present investigation, IR and Raman spectroscopy were employed for the identification of the transitions phase of this dimorphic. Essentially studied by Raman low frequency, the shift, disappearance and appearance of the peaks are used for the determination of the phase transition by the characteristic bands NO2, C-H deformation and C-O stretching, these results reveal a reversibility of this structural transition, depending on the operating conditions.

  12. 4-[Bis(4-fluorophenyl)methyl]piperazin-1-ium picrate

    PubMed Central

    Betz, Richard; Gerber, Thomas; Hosten, Eric; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Narayana, Badiadka

    2011-01-01

    The title compound {systematic name: 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2,4,6-tri­nitro­phenolate}, C17H19F2N2 +·C6H2N3O7 −, is the picrate salt of a piperazine-supported amine bearing a benzhydryl substituent on one of its N atoms. During co-crystallisation, protonation took place on the N atom of the secondary amine functionality. The non-aromatic six-membered heterocycle adopts a chair conformation. In the crystal, N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the components into a three-dimensional network. PMID:22064439

  13. Growth and characterization of proficient second order nonlinear optical material: L-asparaginium picrate (LASP)

    NASA Astrophysics Data System (ADS)

    Saravanan, M.; Senthil, A.; Rajasekar, S. Abraham

    2016-09-01

    Good optical quality, potential second order nonlinear optical crystal L-asparaginium picrate (LASP) was grown by the slow cooling method. The solubility and metastable zone width of LASP specimen was studied. The LASP crystal belongs to monoclinic crystal system with noncentrosymmetric space group P21. UV-Visible-NIR transmittance spectrum determines the optical band gap of LASP. Excellence of the grown crystal is ascertained by the etching studies. Laser Damage Threshold and Photoluminescence studies designate that the grown crystal contains less imperfection. The mechanical behaviour of LASP sample was investigated at different temperatures. The piezoelectric nature, Photoconductive nature and the relative Second Harmonic Generation (for various particle sizes) of the material were also studied. Birefringence and ocular (optical) homogeneity of the crystal were assessed using modified channel spectrum method.

  14. Study of picrate salts with amines

    NASA Astrophysics Data System (ADS)

    Goel, Nidhi; Singh, Udai P.; Singh, Gurdip; Srivastava, Pratibha

    2013-03-01

    The reaction of picric acid (2,4,6-trinitrophenol) with amines [urea, cyclohexane-1,2-diamine, 1H-1,2,4-triazole-3,5-diamine, 6-phenyl-1,3.5-triazine-2,4-diamine] yielded the corresponding picrate salts 1-4. Theoretical studies reveal that the hydrogen-bond interaction energy decreases on increasing the steric hindrance in amines. The solid state structure of compounds 1-4 was measured by X-ray techniques and compared to the gas phase optimized geometries (DFT/B3LYP). Thermal stability of these salts has been studied by means of thermogravimetric-differential scanning calorimetry (TG-DSC) while kinetic parameters have been evaluated using models fitting and isoconversional methods. Thermolytic pathways have also been suggested.

  15. Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.

    PubMed

    Zesławska, Ewa; Stürzebecher, Jörg; Oleksyn, Barbara J

    2007-11-15

    Crystal structure of 2-(4-guanidynephenyl)-1-phenyl-ethanone (GPPE) in two different environments was determined in order to compare the binding geometry of these compound to a simple picrate anion and to protein, urokinase-type plasminogen activator (uPA), which may be treated as a target for anti-cancer drugs. It was shown that the conformation and the hydrogen-bonding formation by GPPE molecule are similar in both environments, but several important differences were discovered and described.

  16. Dimethyl-ammonium 3-carb-oxy-benzoate.

    PubMed

    Siddiqui, Tausif; Koteswara Rao, Vandavasi; Zeller, Matthias; Lovelace-Cameron, Sherri R

    2012-06-01

    The asymmetric unit of the title organic salt, C(2)H(8)N(+)·C(8)H(5)O(4) (-), consists of two dimethyl-ammonium cations and two 3-carb-oxy-benzoate anions. The 3-carb-oxy-benzoate anions are linked via strong inter-molecular and nearly symmetrical O-H⋯O hydrogen bonds forming infinite chains parallel to [111]. Neighbouring chains are further connected by the dimethyl-ammonium cations via N-H⋯O bonds, resulting in a double-chain-like structure. The dihedral angles of all carboxylate groups with respect to the phenylene rings are in the range 7.9 (1)-20.48 (9)°.

  17. Growth and characterization of high proficient second order nonlinear optical material: L-Valinium Picrate

    NASA Astrophysics Data System (ADS)

    Saravanan, M.; Abraham Rajasekar, S.

    2016-02-01

    High-quality translucent solitary crystals of L-Valinium Picrate (LVAP) were lucratively grown by a conventional solution growth method and unidirectional growth technique of Sankaranarayanan-Ramasamy. The as grown organic LVAP crystal belongs to monoclinic crystal system with noncentrosymmetric space group P21. The seed crystal acquired by conventional solution growth method was slash along the (0 1 0) direction and consequently employed for unidirectional growth. A bulky extent single crystal was fully fledged by slow cooling procedure with facilitate of solubility data. The unit cell parameters were resolved from single crystal X-ray diffraction studies. The grown crystals by both conventional solution growth (SEST) and SR methods were subjected to assorted characterization processes such as HRXRD, UV-Vis, dielectric, Hardness and Laser damage threshold studies to investigate the properties. The etching and high resolution X-ray diffraction studies designate that the unidirectional grown LVAP crystal encompass good crystalline excellence and lesser amount of imperfections. The UV-Visible study reveals the ocular excellence of the SR grown LVAP crystal is superior to SEST grown crystal. The laser damage threshold of SEST and SR grown LVAP crystals has been examined and SR grown LVAP crystal boast higher damage threshold than the conventional method grown crystal. Microhardness measurements at dissimilar temperatures show that crystals fully fledged by SR method contain elevated mechanical steadiness than the crystals grown by SEST method. Dielectric dispersion is soaring in SR grown crystal compared to SEST grown LVAP crystal. The piezoelectric nature and the relative Second Harmonic Generation (for various particle sizes) of the material were also studied.

  18. Growth and structural analysis of an organic NLO compound: L-lysinium picrate

    NASA Astrophysics Data System (ADS)

    Arthi, D.; Ilango, E.; Mercina, M.; Jayaraman, D.; Joseph, V.

    2017-01-01

    L-lysinium picrate (LLP), an organic material, has been synthesized and grown by solution growth method. The crystal structure of the grown material was solved by single crystal X-ray diffraction analysis and it was found that the material belongs to triclinic system with space group P1. The transmission range of the crystal was measured in the range of 470-1100 nm with lower cut off wavelength at 470 nm using UV-vis-NIR absorption spectrum. The optical band gap of the grown material was found to establish the dielectric behavior of the material. The main functional groups present in the material were identified using FTIR spectral analysis. Thermal stability and decomposition range were studied by means of TGA and DTA analyses. The microstructure of the grown crystal was studied using SEM analysis. The various chemical environments of the protons and carbons were studied by 1H and 13C NMR spectroscopy to confirm the molecular structure of the grown crystal. NLO behavior was confirmed by Kurtz and Perry technique and SHG efficiency was estimated as 1.4 times that of standard KDP.

  19. Investigation on growth and characterization of imidazolium picrate: An organic salt

    NASA Astrophysics Data System (ADS)

    Anandhi, S.; Shyju, T. S.; Srinivasan, T. P.; Gopalakrishnan, R.

    2011-11-01

    Organic crystal of imidazolium picrate (IP) was synthesized and successfully grown by the slow cooling solution growth method using ethanol and acetone as solvents. The structural, thermal, optical and mechanical properties were studied for the grown crystal. Cell parameters were determined using X-ray diffraction studies. HRXRD study shows the crystalline perfection. FT-IR and laser Raman studies confirm the functional groups present in the title material. The optical properties such as optical bandgap and refractive index of the title material were obtained from the UV-visible spectrum. The PL spectrum of the title compound shows green emission. The thermal stability of the crystal has been determined using TG/DTA studies. Vicker's microhardness studies were carried out to understand the mechanical properties of the grown crystal. The hardness of the title compound increases on increasing the load. Theoretical factor group analysis enumerates the possible modes of vibrations. The dielectric tensor, dielectric loss and conductivity over a range of frequencies and temperatures have been presented. Dielectric tensor components have been determined theoretically using the DFT theory.

  20. The hydrothermolysis of the picrate anion: Kinetics and mechanism

    USGS Publications Warehouse

    Ross, D.S.; Jayaweera, I.

    2002-01-01

    The hydrothermolysis of the picrate anion in aqueous solution has been studied at 260-325??C in liquid water. At starting pH values above 12, the disappearance of picrate begins immediately and is first order in OH-. At lower pH, there is an induction period preceding the disappearance, and over the pH range 6.7-11.9 there is no pH dependence in the developed reaction phase. Added borate and silicate salts promote the reaction, suggesting their acting as nucleophiles at hydrothermal conditions. Nitrite is an initial product, while acetate is a final product and reflective of a vigorous oxidative sequence consuming the intermediate products. A reaction sequence consistent with the results at the lower pH includes initiation of a chain process by displacement of nitrite by water, followed by nucleophilic displacement of nitrite by nitrite such that a nitro group is replaced by an O-N=O group. The ester then rapidly hydrolyzes, and the net reaction is the production of an additional nitrite with each cycle. A simple modeling of this system satisfactorily fits the experimental findings. ?? 2002 Elsevier Science B.V. All rights reserved.

  1. Solvent extraction of metal picrates by phosphoryl-containing podands

    SciTech Connect

    Nazarenko, A.Y. |; Baulin, V.E.; Lamb, J.D.; Volkova, T.A.; Varnek, A.A. |; Wipff, G.

    1999-05-01

    Using UV spectroscopy, the authors have studied the thermodynamics of extraction of metal picrates M{sup +}Pic{sup {minus}} (M{sup +} = Li{sup +}, Na{sup +} K{sup +}, Rb{sup +}, Cs{sup +}, Tl{sup +} and Ag{sup +}) and M{sup 2+} (Pic{sup {minus}}){sub 2} (M{sup 2+} = Ca{sup 2+}, Sr{sup 2+}, Ba{sup 2+}, Pb{sup 2+} and UO{sub 2}{sup 2+}) from water to a chloroform or to a dichloromethane solution. The extractant molecules are mono-podands R-O-(CH{sub 2}-O-CH{sub 2}-){sub n}-O-R containing an ether chain and terminal phosphoryl groups: R = (Ph){sub 2}P(O)-C{sub 6}H{sub 4}-; n = 3, 4 (I--II) and R = (Ph){sub 2}P(O)-CH{sub 2}-C{sub 6}H{sub 4}-, n = 1, 3, 4 (III--V). The authors found that podand I displays a remarkable Ba{sup 2+}/Ca{sup 2+} extraction selectivity. All podands extract alkali and alkaline earth picrates in dichloromethane (as dissociated ion pairs) better than in chloroform (as non-dissociated ion pairs). Based on Molecular Dynamics simulations of the complexes I{sup {sm_bullet}}M{sup 2+} and I{sup {sm_bullet}}M{sup 2+} (Pic{sup {minus}}){sub 2} in the gas phase and in chloroform the authors suggest that the high selectivity of I for Ba{sup 2+} is due to (1) the formation of the complex with an optimal pseudocavity for Ba{sup 2+}, in which six donor atoms of the ligand and four oxygens of the Pic{sup {minus}} counter-ion coordinate to the cation, and (2) the smaller dehydration energy of Ba{sup 2+} compared to other alkaline earth cations. The relative free energies of extraction obtained from simulations on the I{sup {sm_bullet}} M{sup 2+} (Pic{sup {minus}}){sub 2} complexes are in good agreement with the experimental data.

  2. Significance of weak interactions in imidazolium picrate ionic liquids: spectroscopic and theoretical studies for molecular level understanding.

    PubMed

    Panja, Sumit Kumar; Dwivedi, Nidhi; Noothalapati, Hemanth; Shigeto, Shinsuke; Sikder, A K; Saha, Abhijit; Sunkari, Sailaja S; Saha, Satyen

    2015-07-21

    The effects of interionic hydrogen bonding and π-π stacking interactions on the physical properties of a new series of picrate anion based ionic liquids (ILs) have been investigated experimentally and theoretically. The existence of aromatic (C2-HO) and aliphatic (C7-HO-N22 and C6-HO-N20) hydrogen bonding and π-π stacking interactions in these ILs has been observed using various spectroscopic techniques. The aromatic and aliphatic C-HO hydrogen bonding interactions are found to have a crucial role in binding the imidazolium cation and picrate anion together. However, the π-π stacking interactions between two successive layers are found to play a decisive role in tight packing in ILs leading to differences in physical properties. The drastic difference in the melting points of the methyl and propyl derivatives (mmimPic and pmimPic respectively) have been found to be primarily due to the difference in the strength and varieties of π-π stacking interactions. While in mmimPic, several different types of π-π stacking interactions between the aromatic rings (such as picrate-picrate, picrate-imidazole and imidazolium-imidazolium cation rings) are observed, only one type of π-π stacking interaction (picrate-picrate rings) is found to exist in the pmimPic IL. NMR spectroscopic studies reveal that the interaction of these ILs with solvent molecules is different and depends on the dielectric constant of the solvent. While an ion solvation model explains the solvation in high dielectric solvents, an ion-pair solvation model is found to be more appropriate for low dielectric constant solvents. The enhanced stability of these investigated picrate ILs compared with that of inorganic picrate salts under high doses of γ radiation clearly indicates the importance of weak interionic interactions in ILs, and also opens up the possibility of the application of picrate ILs as prospective diluents in nuclear separation for advanced fuel cycling process.

  3. Crystal structures of 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3-benzo­thia­zol-3-ium benzoate and 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3-benzo­thia­zol-3-ium picrate

    PubMed Central

    Sagar, Belakavadi K.; Girisha, Marisiddaiah; Rathore, Ravindranath S.; Glidewell, Christopher

    2017-01-01

    In both 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3- benzo­thia­zol-3-ium benzoate, C11H19N2S+·C7H5O2 −, (I), and 2-amino-4,4,7,7-tetra­methyl-4,5,6,7-tetra­hydro-1,3-benzo­thia­zol-3-ium picrate (2,4,6-tri­nitro­phenolate), C11H19N2S+·C6H2N3O7 −, (II), the cations are conformationally chiral as the six-membered rings adopt half-chair conformations, which are disordered over two sets of atomic sites giving approximately enanti­omeric disorder. For both cations, the bond lengths indicate delocalization of the positive charge comparable to that in an amidinium cation. The bond lengths in the picrate anion in (II) are consistent with extensive delocalization of the negative charge into the ring and onto the nitro groups, in two of which the O atoms are disordered over two sets of sites. In (I), the ionic components are linked by N—H⋯O hydrogen bonds to form a chain of rings, and in (II), the N—H⋯O hydrogen bonds link the components into centrosymmetric four-ion aggregates containing seven hydrogen bonded rings of four different types. PMID:28932465

  4. Reporter molecules as probes of DNA conformation: structure of a crystalline complex containing 2-methyl-4-nitro-aniline ethylene dimethylammonium hydrobromide - 5-iodocytidylyl(3'-5')guanosine

    SciTech Connect

    Vyas, N.K.; Nyas, M.N.; Jain, S.C.; Sobell, H.M.

    1984-05-31

    2-Methyl-4-nitroaniline ethylene dimethylammonium hydrobromide forms a crystalline complex with the self-complementary dinucleoside monophosphate, 5-iodocytidylyl(3'-5')guanosine. The crystals are tetragonal, with a = b = 32.192 A and c = 23.964 A, space group P4/sub 3/2/sub 1/2. The structure has been solved to atomic resolution by Patterson and Fourier methods, and refined by full matrix least squares. 5-Iodocytidylyl(3'-5')guanosine molecules are held together in pairs through Watson-Crick base-pairing, forming an antiparallel duplex structure. Nitroaniline molecules stack above and below guanine-cytosine pairs in this duplex structure. In addition, a third nitroaniline molecule stacks on one of the other two nitroaniline molecules. The asymmetric unit contains two 5-iodocytidylyl(3'-5')guanosine molecules, three nitroaniline molecules, one bromide ion and thirty-one water molecules, at total of 160 atoms. Details of the structure are described. 15 references, 4 figures, 2 tables.

  5. 1,1-Dimethyl­hydrazin-1-ium picrate

    PubMed Central

    Mu, Xiao-Gang; Wang, Xuan-Jun; Liu, Xiang-Xuan; Cui, Hu; Wang, Huanchun

    2011-01-01

    In the title compound, C2H9N2 +·C6H2N3O7 −, the dihedral angles between the mean planes of the three nitro groups and the benzene ring are 63.5 (3), 10.5 (2) and 10.4 (2)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into a two-dimensional network parallel to (001). PMID:22058807

  6. Kinetic Studies with Ion Selective Electrodes: Determination of Creatinine in Urine with a Picrate Ion Selective Electrode: A Laboratory Experiment.

    ERIC Educational Resources Information Center

    Diamandis, E. P.; And Others

    1983-01-01

    The kinetic of the Jaffe reaction with picrate ion selective electrode (ISE) and a kinetic method for determining creatinine in urine is presented. The experiment could be used to familarize students with the application of ISE in kinetic studies and chemical analysis. (Author/JN)

  7. A Highly Selective Fluorescent Chemosensor for the Detection of Picrate Anion Based on 1,8-Naphthalimide Derivatives

    NASA Astrophysics Data System (ADS)

    Wu, H.-L.; Aderinto, S. Opeyemi; Xu, Y.-L.; Zhang, H.; Fan, X.-Y.

    2017-03-01

    The synthesis and spectral characteristics of a new fluorescent N-allyl-4-iminodi(N-benzylacetamide)-1,8-naphthalimide (Zabe) sensor were reported. The ability of this new compound to detect anions was evaluated by spectrophotometrically monitoring the changes in the fluoresence intensity performed on its N,N-dimethylformamide (DMF) solution. Compared to other anions examined, only picrate (Pic-) generated a prominent fluorescence quenching at 516 nm. No significant fluorescence change was observed in the presence of other anions. The emission quenching was due to the enhanced photoinduced electron transfer (PET) from the receptor to the excited state of the fluorophore upon the recognition of picrate. The chemosensor can be applied to the quantification of picrate with a linear range from 4.97 × 10-6 to 6.82 × 10-5 M and a detection limit of 6.6 × 10-7 M. Most importantly, this sensor can be utilized for the spectroscopic detection of picrate in the presence of other competing anions. Moreover, the response time of the chemo sensor is less than 1 min.

  8. Dimethylammonium copper formate [(CH3)2NH2]Cu(HCOO)3: A metal-organic framework with quasi-one-dimensional antiferromagnetism and magnetostriction

    NASA Astrophysics Data System (ADS)

    Wang, Zhenxing; Jain, Prashant; Choi, Kwang-Yong; van Tol, Johan; Cheetham, Anthony K.; Kroto, Harold W.; Koo, Hyun-Joo; Zhou, Haidong; Hwang, Jungmin; Choi, Eun Sang; Whangbo, Myung-Hwan; Dalal, Naresh S.

    2013-06-01

    Metal-organic frameworks (MOFs) can exhibit many interesting properties such as multiferroic behavior, dipolar glass, gas storage, and protonic conductivity. Here we report that dimethylammonium copper formate (DMACuF) [(CH3)2NH2]Cu(HCOO)3, a cation templated nonporous MOF with perovskite topology, exhibits strong one-dimensional (1D) antiferromagnetism with a Néel temperature, TN, of 5.2 K. These conclusions are derived from detailed magnetic susceptibility, heat capacity, dielectric constant, and high-frequency electron paramagnetic resonance measurements as well as density functional theory (DFT) calculations. The magnetic susceptibility exhibits a broad maximum at ˜50 K, suggesting low-dimensional magnetism; heat capacity measurements show a Néel temperature of 5.2 K. The magnetization versus field data at 1.8 K shows a spin-flop transition at Hsf ˜ 1.7 T. The ratio TN/J=6.5×10-2, where J is the near-neighbor exchange constant (77.4 K), and the small value (2 K) of the interchain coupling suggests that DMACuF is close to an ideal 1D magnet. In this three-dimensional crystal lattice, the 1D magnetic behavior is made possible by the Jahn-Teller distortion of the 3d9 Cu2+ ions. Temperature dependence of the electron paramagnetic resonance field and the linewidth exhibits critical broadening for temperatures below 50 K, following a behavior quite characteristic of 1D spin systems. DFT calculations show that [(CH3)2NH2]Cu(HCOO)3 has a magnetic structure in which 1D antiferromagnetic chains parallel to the c direction are weakly coupled ferromagnetically, supporting the thermomagnetic and EPR results. Dielectric measurements under applied magnetic fields of 0-7 T reveal a kink at the TN, a clear indication of magnetostriction behavior.

  9. Synthesis and characterization of complexes of rare earth picrates and rac-bis(ethylsulfinyl)methane

    SciTech Connect

    Andrade Da Silva, M.A.; Zaim, M.H.; Isolani, P.C.

    1995-12-31

    The compound {beta}-dissulfoxide bis(ethylsufinyl)methane (besm) was prepared by oxidation of bis(ethylthio)methane with hydrogen peroxide in acetic acid, and obtained as a mixture of its meso and d,1 diastereomers. An analytical sample was obtained by recrystallization from chloroform-diethyl ether. The racemic-bis(ethylsulfinyl)methane was characterized and studied by CHS elemental analysis, high resolution mass spectrometry, infrared spectra, {sup 1}H and {sup 13}C NMR. A series of compounds with composition RE(pic){sub 3}2rac-besm [RE = La, Ce, Nd, Eu, Gd, Er, Tm, Yb, Lu and Y; pic = picrate and rac-besm = racemic-bis(ethylsulfinyl)methane] were synthesized and characterized by CHNS elemental analysis and rare earths complexometric titration with EDTA, conductance measurements, X-ray powder patterns, infrared spectra, visible absorption of the neodymium and emission spectra of the europium materials. The coordination polyhedron around the Eu{sup 3+} center is probably a dodecahedron with coordination number eight. 19 refs., 2 figs., 4 tabs.

  10. Charge transfer interaction and terahertz studies of a nonlinear optical material L-glutamine picrate: A DFT study.

    PubMed

    Amalanathan, M; Joe, I Hubert; Prabhu, S S

    2010-12-23

    Charge transfer interaction, vibrational spectra, and DFT computation of l-glutamine picrate has been analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. The natural bond orbital analysis confirms the occurrence of strong intramolecular hydrogen bonding in the molecule. Terahertz time-domain spectroscopy was used to detect the absorption spectra in the frequency range from 0.025 to 2.8 THz. The vibrational modes found in molecular crystalline materials should be described as phonon modes with strong coupling to the intramolecular vibrations.

  11. The EuBIVAS Project: Within- and Between-Subject Biological Variation Data for Serum Creatinine Using Enzymatic and Alkaline Picrate Methods and Implications for Monitoring.

    PubMed

    Carobene, Anna; Marino, Irene; Coşkun, Abdurrahman; Serteser, Mustafa; Unsal, Ibrahim; Guerra, Elena; Bartlett, William A; Sandberg, Sverre; Aarsand, Aasne Karine; Sylte, Marit Sverresdotter; Røraas, Thomas; Sølvik, Una Ørvim; Fernandez-Calle, Pilar; Díaz-Garzón, Jorge; Tosato, Francesca; Plebani, Mario; Jonker, Niels; Barla, Gerhard; Ceriotti, Ferruccio

    2017-09-01

    The European Federation of Clinical Chemistry and Laboratory Medicine (EFLM) European Biological Variation Study (EuBIVAS) has been established to deliver rigorously determined biological variation (BV) indices. EuBIVAS determined BV for serum creatinine using the enzymatic and alkaline picrate measurement methods. In total, 91 healthy individuals (38 males, 53 females; age range, 21-69 years) were bled for 10 consecutive weeks at 6 European laboratories. An equivalent protocol was followed at each center. Sera were stored at -80 °C before analysis. Analyses for each patient were performed in duplicate within a single run on an ADVIA 2400 system (San Raffaele Hospital, Milan). The data were subjected to outlier and homogeneity analysis before performing CV-ANOVA to determine BV and analytical variation (CVA) estimates with confidence intervals (CI). The within-subject BV estimates [CVI (95% CI)] were similar for enzymatic [4.4% (4.2-4.7)] and alkaline picrate [4.7% (4.4-4.9)] methods and lower than the estimate presently available online (CVI = 5.9%). No significant male/female BV differences were found. Significant differences were observed in mean creatinine values between men and women and between Turkish individuals and those of other nationalities. Between-subject BV (CVG) estimates, stratified accordingly, produced CVG values similar to historical BV data. CVA was 1.1% for the enzymatic and 4.4% for alkaline picrate methods, indicating that alkaline picrate methods fail to fulfill analytical performance specifications for imprecision (CVAPS). The serum creatinine CVI obtained by EuBIVAS specifies a more stringent CVAPS than previously identified. The alkaline picrate method failed to meet this CVAPS, raising questions regarding its future use. © 2017 American Association for Clinical Chemistry.

  12. Impact of organic nano-vesicles in soil: The case of sodium dodecyl sulphate/didodecyl dimethylammonium bromide.

    PubMed

    Gavina, A; Bouguerra, S; Lopes, I; Marques, C R; Rasteiro, M G; Antunes, F; Rocha-Santos, T; Pereira, R

    2016-03-15

    Aiming at contributing new insights into the effects of nanomaterials (NMs) in the terrestrial ecosystem, this study evaluated the impacts of organic nano-vesicles of sodium dodecyl sulphate/didodecyl dimethylammonium bromide (SDS/DDAB) on the emergence and growth of plant seeds, and on the avoidance and reproduction of soil invertebrates. For this purpose several ecotoxicological assays were performed with different test species (terrestrial plants: Zea mays, Avena sativa, Brassica oleracea and Lycopersicon esculentum; soil invertebrates: Eisenia andrei and Folsomia candida). A wide range of SDS/DDAB concentrations were tested, following standard protocols, and using the standard OECD soil as a test substrate (5% of organic matter). The aqueous suspensions of SDS/DDAB, used to spike the soils, were characterised by light scattering techniques for hydrodynamic size of the vesicles, aggregation index, polydispersity index, zeta potential and surface charge. The SDS/DDAB concentrations in the test soil were analysed by HPLC-UV at the end of the assays. Invertebrate species were revealed to be sensitive to nano-SDS/DDAB upon immediate exposure to freshly spiked soils. However, the degradation of SDS/DDAB nano-vesicles in the soil with time prevented the occurrence of significant reproduction effects on soil invertebrates. Plants were not particularly sensitive to SDS/DDAB, except B. oleracea (at concentrations above 375 mg kg(-1)dw). The results gathered in this study allowed a preliminary determination of a risk limit to nano-SDS/DDAB. The low toxicity of SDS/DDAB nano-vesicles could be explained by its high and fast degradation in the soil. The soil microbial community could have an important role in the fate of this NM, thus it is of remarkable importance to improve this risk limit by taking into account specific data addressing this community.

  13. Dimethyl-ammonium bis-(3-oxidonaphthalene-2-carboxyl-ato)borate hemihydrate.

    PubMed

    Tombul, Mustafa; Güven, Kutalmış; Svoboda, Ingrid

    2007-12-18

    The title compound, C(2)H(8)N(+)·C(22)H(12)BO(6) (-)·0.5H(2)O, was synthesized under atmospheric conditions in the presence of dimethyl-formamide acting as a template. The structure is composed of [NH(2)(CH(3))(2)](+) cations, bis-(3-oxidonaphthalene-2-carboxyl-ato)borate anions and water mol-ecules. The water molecule lies on a twofold rotation axis. The stabilization of the crystal structure comes from electrostatic inter-actions and is assisted by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds between the layers.

  14. Fabrication and Characterization of New Hybrid Organic Light Emitting Diode (OLED): Europium-picrate-triethylene oxide Complex

    SciTech Connect

    Sarjidan, M. A. Mohd; Abu Zakaria, N. Z. A.; Abd. Majid, W. H.; Kusrini, Eny; Saleh, M. I.

    2009-07-07

    Thin-film light emitting devices based on organic materials have attracted vast interest in applications such as light emitting diode (LED) and flat-panel display. The organic material can be attached with inorganic material to enhance the performance of the light emitting device. A hybrid OLED based on a new complex of europium picrate (Eu-pic) with triethylene oxide (EO3) ligand is fabricated. The OLED is fabricated by using spin coating technique with acetone as the solvent and aluminum as the top electrode. The optical, photoluminescence (PL) and electrical properties of the sample are carried out by UV-Vis spectroscopy (Jasco V-750), luminescence spectroscopy (Perkin Elmer LS-500) and source measure unit (SMU)(Keithly), respectively.

  15. Di-methyl-ammonium 2,4,5-tri-carb-oxy-benzoate: an example of the deca-rbonylation of N,N-di-methyl-formamide in the presence of a metal and a benzene-polycarb-oxy-lic acid. Is zirconium(IV) the Tsotsi?

    PubMed

    Hulushe, S T; Hosten, E C; Watkins, G M

    2016-11-01

    The title salt, C2H8N(+)·C10H5O8(-), was the unexpected product of an attempt to prepare a Zr(IV) metal-organic framework with benzene-1,2,4,5-tetra-carb-oxy-lic acid (1,2,4,5-H3B4C). In the reaction, the DMF solvent has been decarb-on-yl-ated, forming the di-methyl-ammonium cation, with one proton lost from the tetra-carb-oxy-lic acid. It is proposed that the Zr(IV) salt acts as a Tsotsi or robber, plundering CO from the DMF mol-ecule. The resulting salt crystallizes with two cations and two anions in the asymmetric unit. An intra-molecular hydrogen bond forms between a carb-oxy-lic acid substituent and the carboxyl-ate group of each of the monodeprotonated (1,2,4,5-H3B4C(-)) anions. In the crystal, an extensive array of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds generates a three-dimensional network, with columns of cations and anions forming along the b axis.

  16. Dimethylammonium hexanoate stabilized rhodium(0) nanoclusters identified as true heterogeneous catalysts with the highest observed activity in the dehydrogenation of dimethylamine-borane.

    PubMed

    Zahmakiran, Mehmet; Ozkar, Saim

    2009-09-21

    Herein we report the discovery of a superior dimethylamine-borane dehydrogenation catalyst, more active than the prior best heterogeneous catalyst (Jaska, C. A.; Manners, I. J. Am. Chem. Soc. 2004, 126, 9776) reported to date for the dehydrogenation of dimethylamine-borane. The new catalyst system consists of rhodium(0) nanoclusters stabilized by C(5)H(11)COO(-) anions and Me(2)H(2)N(+) cations and can reproducibly be formed from the reduction of rhodium(II) hexanoate during dehydrogenation of dimethylamine-borane at room temperature. Rhodium(0) nanoclusters in an average particle size of 1.9 +/- 0.6 nm Rh(0)(approximately 190) nanoclusters) provide 1040 turnovers over 26 h with a record initial turnover frequency (TOF) of 60 h(-1) (the average TOF value is 40 h(-1)) in the dehydrogenation of dimethylamine-borane, yielding 100% of the cyclic product (Me(2)NBH(2))(2) at room temperature. The work reported here also includes the full experimental details of the following major components: (i) Characterization of dimethylammonium hexanoate stabilized rhodium(0) nanoclusters by using TEM, STEM, EDX, XRD, UV-vis, XPS, FTIR, (1)H, (13)C, and (11)B NMR spectroscopy, and elemental analysis. (ii) Collection of a wealth of previously unavailable kinetic data to determine the rate law and activation parameters for catalytic dehydrogenation of dimethylamine-borane. (iii) Monitoring of the formation kinetics of the rhodium(0) nanoclusters by a fast dimethylamine-borane dehydrogenation catalytic reporter reaction (Watzky, M. A.; Finke, R. G. J. Am. Chem. Soc. 1997, 119, 10382) at various [Me(2)NH.BH(3)]/[Rh] ratios and temperatures. Significantly, sigmoidal kinetics of catalyst formation was found to be well fit to the two-step, slow nucleation and then autocatalytic surface growth mechanism, A --> B (rate constant k(1)) and A + B --> 2B (rate constant k(2)), in which A is [Rh(C(5)H(11)CO(2))(2)](2) and B is the growing, catalytically active rhodium(0) nanoclusters. (iv) Mercury

  17. Anionic-zwitterionic mixed micelles in micellar electrokinetic chromatography: sodium dodecyl sulfate-N-dodecyl-N,N-dimethylammonium-3-propane-1-sulfonic acid.

    PubMed

    Ahuja, E S; Preston, B P; Foley, J P

    1994-07-15

    A zwitterionic surfactant, N-dodecyl-N,N-dimethylammonium-3-propane-1- sulfonic acid (SB-12), was used in combination with an anionic surfactant, sodium dodecyl sulfate (SDS), to form a novel pseudostationary phase for use in micellar electrokinetic chromatography. This mixed micellar system was characterized in terms of analyte retention, selectivity, efficiency, elution range, and resolution; and compared to results obtained using only SDS. A typically used SDS concentration, 20 mM, was chosen as a reference to which comparisons could be drawn. With 20 mM SDS, the optimum concentration range of 10-20 mM SB-12 provided efficiencies that were 2-4 times greater than with SDS alone, with minimal (< 15%) changes in the elution range and electroosmotic flow. The addition of 40 and 60 mM SB-12 also resulted in efficiencies on average of 600,000-800,000 theoretical plates/m, but at a significant reduction in the elution range and peak capacity. Retention factors (k') for the various neutral analytes increased by 20% with addition of 10 mM SB-12 and by approximately 60% with addition of 40 and 60 mM SB-12, while operating currents remained constant as SB-12 was added. Geometrical isomers p-nitrotoluene and m-nitrotoluene, that co-eluted with 20 mM SDS, were baseline resolved with the addition of 10 mM SB-12; in addition, methylene selectivity was greatest at this composition. No capillary wall interactions or coating effects were observed with the SDS-SB-12 mixed micellar system, in contrast to previously studied anionic-non-ionic mixed micellar system, SDS-Brij 35. Consequently, migration times were very repeatable (< or = 1.2% R.S.D.).

  18. Dimethyl-ammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetra-methyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthen-9-yl)cyclo-hex-1-enolate 9-(2-hydr-oxy-4,4-dimethyl-6-oxocyclo-hex-1-en-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione n-hexane hemisolvate monohydrate.

    PubMed

    Hasanudin, Noorhafizah; Abdul Rahim, Aisyah Saad; Muhamad Salhimi, Salizawati; Goh, Jia Hao; Fun, Hoong-Kun

    2010-01-30

    The main mol-ecule of the title compound, C(2)H(8)N(+)·C(25)H(31)O(5) (-)·C(25)H(32)O(5)·0.5C(6)H(14)·H(2)O, exists as two crystallographically independent mol-ecules, the hydr-oxy group of one being deprotonated. The pyran rings of both independent units adopt boat conformations. One of the two cyclo-hexene rings of the xanthene unit adopts an envelope conformation whereas the other is in a half-chair conformation. The cyclo-hexene ring attached to the xanthene unit adopts an envelope conformation. The n-hexane solvent mol-ecule is disordered about a crystallographic glide plane and the symmetry-independent components are again disordered over two positions, each with an occupancy of 0.25. In the crystal structure, the xanthene derivatives are linked by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network with channels along the a axis. The dimethyl-ammonium cations and water mol-ecules lie in small channels and are linked to the framework via O-H.·O and N-H⋯O hydrogen bonds. The n-hexane solvent mol-ecules occupy large channels.

  19. Electrical conductivity of highly concentrated electrolytes near the critical consolute point: A study of tetra-n-butylammonium picrate in alcohols of moderate dielectric constant

    NASA Astrophysics Data System (ADS)

    Oleinikova, A.; Bonetti, M.

    2001-12-01

    The electrical conductivity of highly concentrated solutions of tetra-n-butylammonium picrate (TBAP) in 1-dodecanol (dielectric constant ɛ=4.6) and 1,4-butanediol (ɛ=25.9), and in mixtures of both alcohols, is measured in an extended temperature range ≈10-5<τ<≈10-1, where τ=(T-Tc)/Tc is the reduced temperature with Tc, the critical temperature. The electrical conductivity Λ(T) obeys the Vogel-Fulcher-Tammann (VFT) law for the temperatures far from the critical one. In the temperature range τ<10-2 a systematic deviation of the electrical conductivity from the regular VFT behavior is observed. This deviation is attributed to a critical anomaly. At the critical point the amplitude of the critical anomaly is finite with a value which varies between ≈0.4 and ≈2.7% of Λ(Tc), depending on the solvent. The (1-α) critical exponent describes well the conductivity anomaly, α being the exponent of the specific heat anomaly at constant pressure. The value of the Walden product (Λeqvη), with Λeqv, the equivalent conductivity and η, the shear viscosity, allows the degree of dissociation αdiss of TBAP to be determined at the critical point. αdiss becomes larger for increasing values of ɛ: for TBAP in 1-dodecanol αdiss≈0.25 and in 1,4-butanediol αdiss≈0.73. When the degree of dissociation of the salt is accounted for the Debye screening length is found almost independent on ɛ.

  20. Studies on the analytical performance of a non-covalent coating with N,N-didodecyl-N,N-dimethylammonium bromide for separation of basic proteins by capillary electrophoresis in acidic buffers in 25- and 50-microm capillaries.

    PubMed

    Mohabbati, S; Hjertén, S; Westerlund, D

    2008-01-01

    Capillaries (25- and 50-microm inner diameter) coated with a double-alkyl-chain cationic surfactant N,N-didodecyl-N,N-dimethylammonium bromide (DDAB) were used for the separation of four basic standard proteins in buffers of pH 4 at various ionic strengths. The choice of buffer is critical for the analytical performance. Ammonium ions must be avoided in the buffer used in the non-covalent coating procedure owing to competition with the surfactant. Phosphate buffer gave a better separation performance than some volatile buffers; the reason seems to be a complex formation between the proteins and dihydrogenphosphate ions, which decreases tendencies for adsorption to the capillary surface. The DDAB coating was easy to produce and stable enough to permit, without recoating, consecutive separations of the proteins for up to 100 min with good precision in migration times and peak areas. A strong electroosmotic flow gives rapid separations, which is of special importance when commercial instruments are used, since the choice of the length of the capillary is restricted.

  1. Synthesis, structural and optical characterization of APbX{sub 3} (A=methylammonium, dimethylammonium, trimethylammonium; X=I, Br, Cl) hybrid organic-inorganic materials

    SciTech Connect

    Mancini, Alessandro; Quadrelli, Paolo; Amoroso, Giuseppe; Milanese, Chiara; Boiocchi, Massimo; Sironi, Angelo; Patrini, Maddalena; Guizzetti, Giorgio; Malavasi, Lorenzo

    2016-08-15

    In this paper we report the synthesis, the crystal structure and the optical response of APbX{sub 3} (A=MA, DMA, and TMA; X=I, Br) hybrid organic-inorganic materials including some new phases. We observe that as the cation group increases in size, the optical absorption edge shifts to higher energies with energy steps which are systematic and independent on the anion. A linear correlation between the optical bad gap and the tolerance factor has been shown for the series of samples investigated. - Graphical abstract: The crystal structure and the optical response of the two series of hybrid organic-inorganic materials APbX{sub 3} (A=MA, DMA, and TMA; X=I, Br), which include some new phases, are reported. A dependence of crystal structure and band-gap with tolerance factor is shown. Display Omitted - Highlights: • DMAPbI{sub 3}, TMAPbI{sub 3} and TMAPbBr{sub 3} are reported as new hybrid organic-inorganic compounds. • Crystal structure and optical properties as a function of the number of methyl groups are provided. • Correlation between structure and optical properties are given as a function of tolerance factor.

  2. id="content" class="area">

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    Volume 241, Issue12 (October 2004)

    Articles in the Current Issue:

    Rapid Research Note

    Dielectric and optical studies of phase transitions in [(CH3)2NH2]5Cd2CuCl11 crystal

    NASA Astrophysics Data System (ADS)

    Elyashevskyy, Yu.; Dacko, S.; Kosturek, B.; Czapla, Z.; Kapustyanik, V. B.

    2004-10-01

    Single crystals of [(CH3)2 NH2]5Cd2CuCl11 have been grown and their dielectric and optical properties have been studied. Electric permittivity, losses and linear optic birefringence measurements have shown that the obtained new crystal is isomorphous with the original one - [(CH3)2 NH2]5Cd3Cl11. Phase transitions were observed at 175 K (continuous) and 120 K (first order). It means that partial replacing of cadmium atoms by copper ones does not change the structure and the heavy Cd2CuCl11-2 anions do not influence significantly the interaction of dimethylammonium cations.

  3. Synthesis, structural and optical characterization of APbX3 (A=methylammonium, dimethylammonium, trimethylammonium; X=I, Br, Cl) hybrid organic-inorganic materials

    NASA Astrophysics Data System (ADS)

    Mancini, Alessandro; Quadrelli, Paolo; Amoroso, Giuseppe; Milanese, Chiara; Boiocchi, Massimo; Sironi, Angelo; Patrini, Maddalena; Guizzetti, Giorgio; Malavasi, Lorenzo

    2016-08-01

    In this paper we report the synthesis, the crystal structure and the optical response of APbX3 (A=MA, DMA, and TMA; X=I, Br) hybrid organic-inorganic materials including some new phases. We observe that as the cation group increases in size, the optical absorption edge shifts to higher energies with energy steps which are systematic and independent on the anion. A linear correlation between the optical bad gap and the tolerance factor has been shown for the series of samples investigated.

  4. Single crystal X-ray diffraction and Hirshfeld surface analyses of supramolecular assemblies in certain hydrogen bonded heterocyclic organic crystals

    NASA Astrophysics Data System (ADS)

    Muthuraja, P.; Sethuram, M.; Shanmugavadivu, T.; Dhandapani, M.

    2016-10-01

    A set of four nitrogen containing heterocyclic organic compounds was synthesised in which enormous non-covalent interactions along with intensive hydrogen bonding were present. The crystal structures of four crystals, namely, 1H-2-3H-triazolium picrate (TZ-PA), 1H-2,3-triazole-3,5-dinitrobenzoic acid (TZ-DNB), N-p-tolyl-5-oxo pyrrolidine-3-carboxylic acid (TOPC) and itaconic acid-2-amino-4,6-dimethyl pyrimidine (IA-ADP) have been determined by single crystal X-ray diffraction at 296 K. The nature of intermolecular interactions has been analysed through Hirshfeld surfaces and 2D fingerprint plots. It is explicit that in TZ-PA and TZ-DNB, presence of nitro groups diminishes H⋯H contacts whereas the absence of nitro groups and presence of methyl group in IA-ADP and TOPC enhances H⋯H contacts. The intimate O⋯H contacts in all the compounds reveal excessive hydrogen bonding.

  5. Dimethyl-ammonium 5-carb-oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car-box-yl-ate.

    PubMed

    Dai, Chuntao; Nie, Jianhua; Lin, Yuehua; Wang, Jun

    2012-08-01

    In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (-), the imidazole-carboxyl-ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046 (5) Å], with a dihedral angle between the rings of 2.7 (2)°. This conformation is maintained by the presence of both intra-molecular carb-oxy-carboxyl-ate O-H⋯O and imidazole-oxide N-H⋯O hydrogen bonds. Iin the crystal, cation-carboxyl-ate N-H⋯O and cation-imidazole N-H⋯N hydrogen bonds result in chains along the b axis.

  6. Solvent extraction of silver picrate by 3m-crown-m ethers (m = 5, 6) and its mono-benzo-derivative from water into benzene or chloroform: elucidation of an extraction equilibrium using component equilibrium constants.

    PubMed

    Kudo, Yoshihiro; Usami, Jun; Katsuta, Shoichi; Takeda, Yasuyuki

    2004-03-10

    Ion-pair formation constant (K(AgPic) in mol(-1)dm(3)) of silver picrate (AgPic), those (K(AgLPic)) of its ion-pair complexes (AgLPic) with crown ethers (L) and complex formation constants (K(AgL)) of Ag(+) with L (15-crown-5 ether (15C5) and benzo-15C5) in water (w) were determined potentiometrically at 25 degrees C. Compounds used as L were 18-crown-6 ether (18C6), its benzo-derivative (B18C6) and the two 15C5 derivatives. Extraction constants (K(ex) in mol(-1)dm(3)) of AgPic with L (15C5, 18C6, B18C6) from acidic w-phases into either C(6)H(6) or CHCl(3) were recalculated from K(AgPic), K(AgL), K(AgLPic) and data opened in previous papers. Thus obtained K(ex) was divided into five component equilibrium constants containing K(AgL) and K(AgLPic) anew. Then, contributions of the component constants, K(AgL), K(AgLPic) and distribution constants of AgLPic between the w- and C(6)H(6)-phases, to K(ex) were discussed and compared with corresponding extraction systems of NaPic and KPic with18C6.

  7. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  8. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  9. Crystal Meth

    MedlinePlus

    ... from Other Parents Stories of Hope Crystal meth Crystal meth Story of Hope by giovanni January 3, ... about my drug addiction having to deal with Crystal meth. I am now in recovery and fighting ...

  10. Crystal Meth

    MedlinePlus

    ... Navigation Home / Stories of Hope / Crystal meth Crystal meth Story Of Hope By giovanni January 3rd, 2013 ... my drug addiction having to deal with Crystal meth. I am now in recovery and fighting my ...

  11. Axion crystals

    NASA Astrophysics Data System (ADS)

    Ozaki, Sho; Yamamoto, Naoki

    2017-08-01

    The low-energy effective theories for gapped insulators are classified by three parameters: permittivity ɛ, permeability μ, and theta angle θ. Crystals with periodic ɛ are known as photonic crystals. We here study the band structure of photons in a new type of crystals with periodic θ (modulo 2 π) in space, which we call the axion crystals. We find that the axion crystals have a number of new properties that the usual photonic crystals do not possess, such as the helicity-dependent mass gap and nonrelativistic gapless dispersion relation at small momentum. We briefly discuss possible realizations of axion crystals in condensed matter systems and high-energy physics.

  12. Virtual Crystallizer

    SciTech Connect

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  13. Crystal growing

    NASA Technical Reports Server (NTRS)

    Neville, J. P.

    1990-01-01

    One objective is to demonstrate the way crystals grow and how they affect the behavior of material. Another objective is to compare the growth of crystals in metals and nonmetals. The procedures, which involve a supersaturated solution of a salt that will separate into crystals on cooling and the pouring off of an eutectic solution to expose the crystals formed by a solid solution when an alloy of two metals forms a solid and eutectic solution on cooling, are described.

  14. Apoferritin crystals

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Dr. Alexander Chernov, of the Universities Space Research Association (USRA) and based at Marshall Space Flight Center, is investigating why protein crystals grown in space are, in about 20 percent of cases, better-ordered than those grown on the ground. They are testing the idea that the amount of impurities trapped by space-grown crystals may be different than the amount trapped by crystals grown on Earth because convection is negligible in microgravity. The concentrations or impurities in many space-grown crystals turned out to be several times lower than that in the terrestrial ones, sometimes below the detection limit. The ground-based experiment also showed that the amount of impurities per unit volume of the crystals was usually higher than the amount per unit volume of the solution. This means that a growing crystal actually purifies the solution in its immediate vicinity. Here, an impurity depletion zone is created around apoferritin crystals grown in gel, imitating microgravity conditions.

  15. Apoferritin crystals

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Dr. Alexander Chernov, of the Universities Space Research Association (USRA) and based at Marshall Space Flight Center, is investigating why protein crystals grown in space are, in about 20 percent of cases, better-ordered than those grown on the ground. They are testing the idea that the amount of impurities trapped by space-grown crystals may be different than the amount trapped by crystals grown on Earth because convection is negligible in microgravity. The concentrations or impurities in many space-grown crystals turned out to be several times lower than that in the terrestrial ones, sometimes below the detection limit. The ground-based experiment also showed that the amount of impurities per unit volume of the crystals was usually higher than the amount per unit volume of the solution. This means that a growing crystal actually purifies the solution in its immediate vicinity. Here, an impurity depletion zone is created around apoferritin crystals grown in gel, imitating microgravity conditions.

  16. Lysozyme Crystal

    NASA Technical Reports Server (NTRS)

    2004-01-01

    To the crystallographer, this may not be a diamond but it is just as priceless. A Lysozyme crystal grown in orbit looks great under a microscope, but the real test is X-ray crystallography. The colors are caused by polarizing filters. Proteins can form crystals generated by rows and columns of molecules that form up like soldiers on a parade ground. Shining X-rays through a crystal will produce a pattern of dots that can be decoded to reveal the arrangement of the atoms in the molecules making up the crystal. Like the troops in formation, uniformity and order are everything in X-ray crystallography. X-rays have much shorter wavelengths than visible light, so the best looking crystals under the microscope won't necessarily pass muster under the X-rays. In order to have crystals to use for X-ray diffraction studies, crystals need to be fairly large and well ordered. Scientists also need lots of crystals since exposure to air, the process of X-raying them, and other factors destroy them. Growing protein crystals in space has yielded striking results. Lysozyme's structure is well known and it has become a standard in many crystallization studies on Earth and in space.

  17. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  18. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  19. Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2005-01-01

    Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

  20. Computational crystallization

    PubMed Central

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H.

    2016-01-01

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. PMID:26792536

  1. Computational crystallization.

    PubMed

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H

    2016-07-15

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed.

  2. Crystallization mechanisms of acicular crystals

    NASA Astrophysics Data System (ADS)

    Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane

    2008-01-01

    In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.

  3. Crystal Data

    National Institute of Standards and Technology Data Gateway

    SRD 3 NIST Crystal Data (PC database for purchase)   NIST Crystal Data contains chemical, physical, and crystallographic information useful to characterize more than 237,671 inorganic and organic crystalline materials. The data include the standard cell parameters, cell volume, space group number and symbol, calculated density, chemical formula, chemical name, and classification by chemical type.

  4. Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations

    NASA Astrophysics Data System (ADS)

    Savithiri, S.; Arockia doss, M.; Rajarajan, G.; Thanikachalam, V.

    2016-02-01

    The FT-IR and FT-Raman spectra were recorded for title compound 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate (3-PDPPP) and the data were compared with the theoretical values. The stability of the molecule due to hyper-conjugative interaction and charge delocalization was studied by NBO analysis. The UV-Vis spectral data calculated by using the DFT method were correlated with the experimental values. The calculated HOMO and LUMO energies revealed that charge transfer occurs within the molecule and Mulliken charges were also obtained. Molecular electrostatic potential (MEP) analyses were performed to predict the reactive sites of the molecule. The calculated first hyperpolarizabilty is high suggesting an extended π-electron delocalization over the picryl ring and piperidone moiety which is also responsible for the nonlinear optical property of the molecule. The 1H and 13C NMR chemical shifts of the molecule were calculated by the Gauge independent atomic orbital (GIAO) method and compared with the experimental results. The thermodynamic properties of the compound at different temperatures have been determined and correlations between heat capacity, entropy, enthalpy and temperature have been done.

  5. Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Wright, John D.

    1995-02-01

    This book describes the chemical and physical structure of molecular crystals, their optical and electronic properties, and the reactions between neighboring molecules in crystals. In the second edition, the author has taken into account research that has undergone extremely rapid development since the first edition was published in 1987. For instance, he gives extensive coverage to the applications of molecular materials in high-technology devices (e.g. optical communications, laser printers, photocopiers, liquid crystal displays, solar cells, and more). There is also an entirely new chapter on the recently discovered Buckminsterfullerene carbon molecule (C60) and organic non-linear optic materials.

  6. Crystal clear

    NASA Astrophysics Data System (ADS)

    2012-02-01

    A semiconductor is usually opaque to any light whose photon energy is larger than the semiconductor bandgap. Nature Photonics spoke to Stephen Durbin about how to render GaAs semiconductor crystals transparent using intense X-ray pulses.

  7. Liquid Crystals

    NASA Technical Reports Server (NTRS)

    1990-01-01

    Thermochromic liquid crystals, or TLCs, are a type of liquid crystals that react to changes in temperature by changing color. The Hallcrest/NASA collaboration involved development of a new way to visualize boundary layer transition in flight and in wind tunnel testing of aircraft wing and body surfaces. TLCs offered a new and potentially better method of visualizing the boundary layer transition in flight. Hallcrest provided a liquid crystal formulation technique that afforded great control over the sensitivity of the liquid crystals to varying conditions. Method is of great use to industry, government and universities for aerodynamic and hydrodynamic testing. Company's principal line is temperature indicating devices for industrial use, such as non-destructive testing and flaw detection in electric/electronic systems, medical application, such as diagnostic systems, for retail sale, such as room, refrigerator, baby bath and aquarium thermometers, and for advertising and promotion specials. Additionally, Hallcrest manufactures TLC mixtures for cosmetic applications, and liquid crystal battery tester for Duracell batteries.

  8. Synthesis and crystal structure of a new copper(II) complex with N,N‧-(4,4‧-bithiazole-2,2‧-diyl)diacetimidamide as ligand: Molecular docking, DNA-binding and cytotoxicity activity studies

    NASA Astrophysics Data System (ADS)

    Wang, Ling-Dong; Zheng, Kang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei

    2013-04-01

    A new mononuclear copper(II) complex with formula of [Cu2H(DABTA)2](pic)ṡ6H2O, where H2DABTA and pic- stand for N,N'-(4,4'-bithiazole-2,2'-diyl)diacetimidamide and picrate ion, respectively, has been synthesized and characterized by elemental analysis, molar conductivity measurement, IR and electronic spectra studies, and single-crystal X-ray diffraction. The crystal structure reveals that the copper(II) ion has a {CuN4} square-planar coordination environment. The solvent water molecules form a column parallel to c axis by hydrogen bonds. Then the mononuclear copper complexes link to the water columns to make a three-dimensional hydrogen bonding grid with the cavities filled by pic- anions. Besides, there are offset π-π stacking interactions between thiazole rings in the supramolecular system. The interactions between the copper(II) complex and herring sperm DNA (HS-DNA) have been investigated by using electronic absorption titration, fluorescence titration and viscometry. The molecular docking of the complex with the self-complementary DNA duplex of sequence d(ACCGACGTCGGT)2 demonstrates that the complex is stabilized by additional electrostatic and hydrogen bonding interaction with the DNA. The copper(II) complex exhibits potent anticancer activities against human hepatocellular carcinoma cell SMMC-7721 and human lung adenocarcinoma cell A549.

  9. SYMMETRICAL LASER CRYSTALS.

    DTIC Science & Technology

    CRYSTAL GROWTH , SYMMETRY(CRYSTALLOGRAPHY), LASERS, SYNTHESIS, FERROELECTRIC CRYSTALS , FLUORESCENCE, IMPURITIES, BARIUM COMPOUNDS, ZIRCONATES...STRONTIUM COMPOUNDS, TITANATES, STANNATES, SAMARIUM, MANGANESE, REFRACTORY MATERIALS, OXIDES, SINGLE CRYSTALS .

  10. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  11. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  12. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  13. Comparing Crystals

    ERIC Educational Resources Information Center

    Sharp, Janet; Hoiberg, Karen; Chumbley, Scott

    2003-01-01

    This standard lesson on identifying salt and sugar crystals expands into an opportunity for students to develop their observation, questioning, and modeling skills. Although sugar and salt may look similar, students discovered that they looked very different under a magnifying glass and behaved differently when dissolved in water. In addition,…

  14. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  15. Crystal structure of N-[3-(di-methyl-aza-nium-yl)prop-yl]-N',N',N'',N''-tetra-methyl-N-(N,N,N',N'-tetra-methyl-form-am-id-in-ium-yl)-guanidinium dibromide hydroxide monohydrate.

    PubMed

    Tiritiris, Ioannis; Kantlehner, Willi

    2015-12-01

    The asymmetric unit of the title hydrated salt, C15H37N6 (3+)·2Br(-)·OH(-)·H2O, contains one cation, three partial-occupancy bromide ions, one hydroxide ion and one water mol-ecule. Refinement of the site-occupancy factors of the three disordered bromide ions converges with occupancies 0.701 (2), 0.831 (2) and 0.456 (2) summing to approximately two bromide ions per formula unit. The structure was refined as a two-component inversion twin with volume fractions 0.109 (8):0.891 (8) for the two domains. The central C3N unit of the bis-amidinium ion is linked to the aliphatic propyl chain by a C-N single bond. The other two bonds in this unit have double-bond character as have the four C-N bonds to the outer NMe2 groups. In contrast, the three C-N bonds to the central N atom of the (di-methyl-aza-nium-yl)propyl group have single-bond character. Delocalization of the two positive charges occurs in the N/C/N and C/N/C planes, while the third positive charge is localized on the di-methyl-ammonium group. The crystal structure is stabilized by O-H⋯O, N-H⋯Br, O-H⋯Br and C-H⋯Br hydrogen bonds, forming a three-dimensional network.

  16. Ionic crystals

    SciTech Connect

    Mahan, G.D.

    1985-03-01

    The theme of the second Petra School of Physics was the optical properties of solids. The author's lectures will discuss the theory of ionic crystals such as the alkali halides. The general topics will include a discussion of: the local electric fields, multipole polarizability, core level spectra, and electron energy levels. The subject of alkali halides is today regarded as unfashionable. They were quite popular years ago, but fashions and fancies in science have moved elsewhere. One should not think they are well understood. The author's impression of this field is that activity stopped, not because the problems were solved, but rather because the workers got tired of not being able to solve them. For example, we still do not have a good theory of crystal structure, since microscopic forces are not well characterized. One concludes that other quantities which depend upon forces, such as the elastic constants, are also not well understood, although theories of them are published all of the time. As another example, we still do not have a good theory of bonding. Here there are two camps: one which regards the bonding as ionic, while the other advocates significant amounts of covalency. Recently we have shown that both the elastic constants, and the amount of covalent bonding, depend significantly upon the higher multipole polarizabilities. In summary, the subject of ionic crystals is a field where there are still many unresolved issues awaiting good research. 21 refs., 5 figs., 4 tabs.

  17. Biological Macromolecule Crystallization Database

    National Institute of Standards and Technology Data Gateway

    SRD 21 Biological Macromolecule Crystallization Database (Web, free access)   The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

  18. Crystallization process

    DOEpatents

    Adler, Robert J.; Brown, William R.; Auyang, Lun; Liu, Yin-Chang; Cook, W. Jeffrey

    1986-01-01

    An improved crystallization process is disclosed for separating a crystallizable material and an excluded material which is at least partially excluded from the solid phase of the crystallizable material obtained upon freezing a liquid phase of the materials. The solid phase is more dense than the liquid phase, and it is separated therefrom by relative movement with the formation of a packed bed of solid phase. The packed bed is continuously formed adjacent its lower end and passed from the liquid phase into a countercurrent flow of backwash liquid. The packed bed extends through the level of the backwash liquid to provide a drained bed of solid phase adjacent its upper end which is melted by a condensing vapor.

  19. Liquid Crystal Devices.

    ERIC Educational Resources Information Center

    Bradshaw, Madeline J.

    1983-01-01

    The nature of liquid crystals and several important liquid crystal devices are described. Ideas for practical experiments to illustrate the properties of liquid crystals and their operation in devices are also described. (Author/JN)

  20. Liquid Crystal Inquiries.

    ERIC Educational Resources Information Center

    Marroum, Renata-Maria

    1996-01-01

    Discusses the properties and classification of liquid crystals. Presents a simple experiment that illustrates the structure of liquid crystals and the differences between the various phases liquid crystals can assume. (JRH)

  1. PARAMAGNETIC RELAXATION IN CRYSTALS.

    DTIC Science & Technology

    CRYSTALS, PARAMAGNETIC RESONANCE, RELAXATION TIME , CRYSTAL DEFECTS, QUARTZ, GLASS, STRAIN(MECHANICS), TEMPERATURE, NUCLEAR SPINS, HYDROGEN, CALCIUM COMPOUNDS, FLUORIDES, COLOR CENTERS, PHONONS, OXYGEN.

  2. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  3. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  4. Laser-induced crystallization and crystal growth.

    PubMed

    Sugiyama, Teruki; Masuhara, Hiroshi

    2011-11-04

    Recent streams of laser studies on crystallization and crystal growth are summarized and reviewed. Femtosecond multiphoton excitation of solutions leads to their ablation at the focal point, inducing local bubble formation, shockwave propagation, and convection flow. This phenomenon, called "laser micro tsunami" makes it possible to trigger crystallization of molecules and proteins from their supersaturated solutions. Femtosecond laser ablation of a urea crystal in solution triggers the additional growth of a single daughter crystal. Intense continuous wave (CW) near infrared laser irradiation at the air/solution interface of heavy-water amino acid solutions results in trapping of the clusters and evolves to crystallization. A single crystal is always prepared in a spatially and temporally controlled manner, and the crystal polymorph of glycine depends on laser power, polarization, and solution concentration. Upon irradiation at the glass/solution interface, a millimeter-sized droplet is formed, and a single crystal is formed by shifting the irradiation position to the surface. Directional and selective crystal growth is also possible with laser trapping. Finally, characteristics of laser-induced crystallization and crystal growth are summarized.

  5. Molecular tectonics: from crystals to crystals of crystals.

    PubMed

    Marinescu, Gabriela; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2013-12-11

    The in situ combination of M(II) cations (Co, Ni, Cu or Zn) with 2,4,6-pyridinetricarboxylic acid as a ligand, a bisamidinium dication as a H-bond donor tecton and NaOH leads to the formation of anionic metal complexes ML2(2-) and their interconnection into isomorphous 3D H-bonded networks displaying different colours which were used as preformed seed crystals for the formation of crystals of crystals by 3D epitaxial growth.

  6. Drilling technique for crystals

    NASA Technical Reports Server (NTRS)

    Hunter, T.; Miyagawa, I.

    1977-01-01

    Hole-drilling technique uses special crystal driller in which drill bit rotates at fixed position at speed of 30 rpm while crystal slowly advances toward drill. Technique has been successfully applied to crystal of Rochell salt, Triglycine sulfate, and N-acetyglycine. Technique limits heat buildup and reduces strain on crystal.

  7. Mixed crystal organic scintillators

    DOEpatents

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang

    2014-09-16

    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  8. CRYSTAL COLLIMATION AT RHIC.

    SciTech Connect

    FLILLER,R.P.,III.DREES,A.GASSNER,D.HAMMONS,L.MCINTYRE,G.PEGGS,S.TRBOJEVIC,D.BIRYUKOV,V.CHESNOKOV,Y.TEREKHOV,V.

    2003-06-19

    Crystal Channeling occurs when an ion enters a crystal with a small angle with respect to the crystal planes. The electrostatic interaction between the incoming ion and the lattice causes the ion to follow the crystal planes. By mechanically bending a crystal, it is possible to use a crystal to deflect ions. One novel use of a bent crystal is to use it to channel beam halo particles into a collimator downstream. By deflecting the halo particles into a collimator with a crystal it may be possible to improve collimation efficiency as compared to a single collimator. A bent crystal is installed in the yellow ring of the Relativistic Heavy Ion Collider (RHIC). In this paper we discuss our experience with the crystal collimator, and compare our results to previous data, simulation, and theoretical prediction.

  9. Pressure cryocooling protein crystals

    DOEpatents

    Kim, Chae Un [Ithaca, NY; Gruner, Sol M [Ithaca, NY

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  10. Hydrothermal synthesis, crystal structure, and catalytic potential of a one-dimensional molybdenum oxide/bipyridinedicarboxylate hybrid.

    PubMed

    Amarante, Tatiana R; Neves, Patrícia; Valente, Anabela A; Paz, Filipe A Almeida; Fitch, Andrew N; Pillinger, Martyn; Gonçalves, Isabel S

    2013-04-15

    The reaction of MoO3, 2,2'-bipyridine-5,5-dicarboxylic acid (H2bpdc), water, and dimethylformamide in the mole ratio 1:1:1730:130 at 150 °C for 3 days in a rotating Teflon-lined digestion bomb leads to the isolation of the molybdenum oxide/bipyridinedicarboxylate hybrid material (DMA)[MoO3(Hbpdc)]·nH2O (1) (DMA = dimethylammonium). Compound 1 was characterized by scanning electron microscopy, FT-IR and (13)C{(1)H} CP MAS NMR spectroscopies, and elemental and thermogravimetric analyses. The solid state structure of 1 was solved and refined through Rietveld analysis of high resolution synchrotron X-ray powder diffraction data in conjunction with information derived from the above techniques. The material, crystallizing in the noncentrosymmetric monoclinic space group Pc, is composed of an anionic one-dimensional organic-inorganic hybrid polymer, ∞(1)[MoO3(Hbpdc)](-), formed by corner-sharing distorted {MoO4N2} octahedra, which cocrystallizes with charge-balancing DMA(+) cations and one water molecule per metal center. In the crystal structure of 1, the close packing of individual anionic polymers, DMA(+) cations, and water molecules is mediated by a series of supramolecular contacts, namely strong (O-H···O, N(+)-H···O(-)) and weak (C-H···O) hydrogen bonding interactions, and π-π contacts involving adjacent coordinated Hbpdc(-) ligands. The catalytic potential of 1 was investigated in the epoxidation reactions of the bioderived olefins methyl oleate (Ole) and DL-limonene (Lim) using tert-butylhydroperoxide (TBHP) as the oxygen donor and 1,2-dichloroethane (DCE) or (trifluoromethyl)benzene (BTF) as cosolvent, at 55 or 75 °C. Under these conditions, 1 acts as a source of active soluble species, leading to epoxide yields of up to 98% for methyl 9,10-epoxystearate (BTF, 75 °C, 100% conversion of Ole) and 89% for 1,2-epoxy-p-menth-8-ene (DCE, 55 °C, 95% conversion of Lim). Catalytic systems employing the ionic liquid 1-butyl-3-methylimidazolium bis

  11. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    SciTech Connect

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  12. Growth of dopamine crystals

    SciTech Connect

    Patil, Vidya Patki, Mugdha

    2016-05-06

    Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

  13. Apparatus for growing crystals

    NASA Technical Reports Server (NTRS)

    Jasinski, Thomas J. (Inventor); Witt, August F. (Inventor)

    1986-01-01

    An improved apparatus and method for growing crystals from a melt employing a heat pipe, consisting of one or more sections, each section serving to control temperature and thermal gradients in the crystal as it forms inside the pipe.

  14. Crystallization Pathways in Biomineralization

    NASA Astrophysics Data System (ADS)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  15. Crystal structure and prediction.

    PubMed

    Thakur, Tejender S; Dubey, Ritesh; Desiraju, Gautam R

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  16. Growth of dopamine crystals

    NASA Astrophysics Data System (ADS)

    Patil, Vidya; Patki, Mugdha

    2016-05-01

    Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

  17. Crystal Structure and Prediction

    NASA Astrophysics Data System (ADS)

    Thakur, Tejender S.; Dubey, Ritesh; Desiraju, Gautam R.

    2015-04-01

    The notion of structure is central to the subject of chemistry. This review traces the development of the idea of crystal structure since the time when a crystal structure could be determined from a three-dimensional diffraction pattern and assesses the feasibility of computationally predicting an unknown crystal structure of a given molecule. Crystal structure prediction is of considerable fundamental and applied importance, and its successful execution is by no means a solved problem. The ease of crystal structure determination today has resulted in the availability of large numbers of crystal structures of higher-energy polymorphs and pseudopolymorphs. These structural libraries lead to the concept of a crystal structure landscape. A crystal structure of a compound may accordingly be taken as a data point in such a landscape.

  18. Microgravity protein crystallization

    PubMed Central

    McPherson, Alexander; DeLucas, Lawrence James

    2015-01-01

    Over the past 20 years a variety of technological advances in X-ray crystallography have shortened the time required to determine the structures of large macromolecules (i.e., proteins and nucleic acids) from several years to several weeks or days. However, one of the remaining challenges is the ability to produce diffraction-quality crystals suitable for a detailed structural analysis. Although the development of automated crystallization systems combined with protein engineering (site-directed mutagenesis to enhance protein solubility and crystallization) have improved crystallization success rates, there remain hundreds of proteins that either cannot be crystallized or yield crystals of insufficient quality to support X-ray structure determination. In an attempt to address this bottleneck, an international group of scientists has explored use of a microgravity environment to crystallize macromolecules. This paper summarizes the history of this international initiative along with a description of some of the flight hardware systems and crystallization results. PMID:28725714

  19. Photonic Crystal Fibers

    DTIC Science & Technology

    2005-12-01

    passive and active versions of each fiber designed under this task. Crystal Fibre shall provide characteristics of the fiber fabricated to include core...passive version of multicore fiber iteration 2. 15. SUBJECT TERMS EOARD, Laser physics, Fibre Lasers, Photonic Crystal, Multicore, Fiber Laser 16...9 00* 0 " CRYSTAL FIBRE INT ODUCTION This report describes the photonic crystal fibers developed under agreement No FA8655-o5-a- 3046. All

  20. CRYSTAL FILTER TEST SET

    DTIC Science & Technology

    CRYSTAL FILTERS, *HIGH FREQUENCY, *RADIOFREQUENCY FILTERS, AMPLIFIERS, ELECTRIC POTENTIAL, FREQUENCY, IMPEDANCE MATCHING , INSTRUMENTATION, RADIOFREQUENCY, RADIOFREQUENCY AMPLIFIERS, TEST EQUIPMENT, TEST METHODS

  1. Apparatus for mounting crystal

    DOEpatents

    Longeway, Paul A.

    1985-01-01

    A thickness monitor useful in deposition or etching reactor systems comprising a crystal-controlled oscillator in which the crystal is deposited or etched to change the frequency of the oscillator. The crystal rests within a thermally conductive metallic housing and arranged to be temperature controlled. Electrode contacts are made to the surface primarily by gravity force such that the crystal is substantially free of stress otherwise induced by high temperature.

  2. Crystallization from Gels

    NASA Astrophysics Data System (ADS)

    Narayana Kalkura, S.; Natarajan, Subramanian

    Among the various crystallization techniques, crystallization in gels has found wide applications in the fields of biomineralization and macromolecular crystallization in addition to crystallizing materials having nonlinear optical, ferroelectric, ferromagnetic, and other properties. Furthermore, by using this method it is possible to grow single crystals with very high perfection that are difficult to grow by other techniques. The gel method of crystallization provides an ideal technique to study crystal deposition diseases, which could lead to better understanding of their etiology. This chapter focuses on crystallization in gels of compounds that are responsible for crystal deposition diseases. The introduction is followed by a description of the various gels used, the mechanism of gelling, and the fascinating phenomenon of Liesegang ring formation, along with various gel growth techniques. The importance and scope of study on crystal deposition diseases and the need for crystal growth experiments using gel media are stressed. The various crystal deposition diseases, viz. (1) urolithiasis, (2) gout or arthritis, (3) cholelithiasis and atherosclerosis, and (4) pancreatitis and details regarding the constituents of the crystal deposits responsible for the pathological mineralization are discussed. Brief accounts of the theories of the formation of urinary stones and gallstones and the role of trace elements in urinary stone formation are also given. The crystallization in gels of (1) the urinary stone constituents, viz. calcium oxalate, calcium phosphates, uric acid, cystine, etc., (2) the constituents of the gallstones, viz. cholesterol, calcium carbonate, etc., (3) the major constituent of the pancreatic calculi, viz., calcium carbonate, and (4) cholic acid, a steroidal hormone are presented. The effect of various organic and inorganic ions, trace elements, and extracts from cereals, herbs, and fruits on the crystallization of major urinary stone and gallstone

  3. Triangular ice crystals

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin; Salzmann, Christoph; Heymsfield, Andrew; Neely, Ryan

    2014-05-01

    We are all familiar with the hexagonal form of snow crystals and it is well established that this shape is derived from the arrangement of water molecules in the crystal lattice. However, crystals with a triangular form are often found in the Earth's atmosphere and the reason for this non-hexagonal shape has remained elusive. Recent laboratory work has shed light on why ice crystals should take on this triangular or three-fold scalene habit. Studies of the crystal structure of ice have shown that ice which initially crystallises can be made of up of hexagonal layers which are interlaced with cubic layers to produce a 'stacking disordered ice'. The degree of stacking disorder can vary from crystals which are dominantly hexagonal with a few cubic stacking faults, through to ice where the cubic and hexagonal sequences are fully randomised. The introduction of stacking disorder to ice crystals reduces the symmetry of the crystal from 6-fold (hexagonal) to 3-fold (triangular); this offers an explanation for the long standing problem of why some atmospheric ice crystals have a triangular habit. We discuss the implications of triangular crystals for halos, radiative properties, and also discuss the implications for our understanding of the nucleation and early stages of ice crystal growth for ice crystals in the atmosphere.

  4. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  5. Food Crystalization and Eggs

    USDA-ARS?s Scientific Manuscript database

    Food Crystalization and Eggs Deana R. Jones, Ph.D. USDA Agricultural Research Service Egg Safety and Quality Research Unit Athens, Georgia, USA Deana.Jones@ars.usda.gov Sugar, salt, lactose, tartaric acid and ice are examples of constituents than can crystallize in foods. Crystallization in a foo...

  6. Annealing macromolecular crystals.

    PubMed

    Hanson, B Leif; Bunick, Gerard J

    2007-01-01

    The process of crystal annealing has been used to improve the quality of diffraction from crystals that would otherwise be discarded for displaying unsatisfactory diffraction after flash cooling. Although techniques and protocols vary, macromolecular crystals are annealed by warming the flash-cooled crystal, then flash cooling it again. To apply macromolecular crystal annealing, a flash-cooled crystal displaying unacceptably high mosaicity or diffraction from ice is removed from the goniometer and immediately placed in cryoprotectant buffer. The crystal is incubated in the buffer at either room temperature or the temperature at which the crystal was grown. After about 3 min, the crystal is remounted in the loop and flash cooled. In situ annealing techniques, where the cold stream is diverted and the crystal allowed to warm on the loop prior to flash cooling, are variations of annealing that appears to work best when large solvent channels are not present in the crystal lattice or the solvent content of the crystal is relatively low.

  7. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  8. Protein Crystal Based Nanomaterials

    NASA Technical Reports Server (NTRS)

    Bell, Jeffrey A.; VanRoey, Patrick

    2001-01-01

    This is the final report on a NASA Grant. It concerns a description of work done, which includes: (1) Protein crystals cross-linked to form fibers; (2) Engineering of protein to favor crystallization; (3) Better knowledge-based potentials for protein-protein contacts; (4) Simulation of protein crystallization.

  9. Protein crystallization with paper

    NASA Astrophysics Data System (ADS)

    Matsuoka, Miki; Kakinouchi, Keisuke; Adachi, Hiroaki; Maruyama, Mihoko; Sugiyama, Shigeru; Sano, Satoshi; Yoshikawa, Hiroshi Y.; Takahashi, Yoshinori; Yoshimura, Masashi; Matsumura, Hiroyoshi; Murakami, Satoshi; Inoue, Tsuyoshi; Mori, Yusuke; Takano, Kazufumi

    2016-05-01

    We developed a new protein crystallization method that incorporates paper. A small piece of paper, such as facial tissue or KimWipes, was added to a drop of protein solution in the traditional sitting drop vapor diffusion technique, and protein crystals grew by incorporating paper. By this method, we achieved the growth of protein crystals with reducing osmotic shock. Because the technique is very simple and the materials are easy to obtain, this method will come into wide use for protein crystallization. In the future, it could be applied to nanoliter-scale crystallization screening on a paper sheet such as in inkjet printing.

  10. Improving marginal crystals.

    PubMed

    Carter, Charles W; Riès-Kautt, Madeleine

    2007-01-01

    The physical chemistry of crystal growth can help to identify directions in which to look for improved crystal properties. In this chapter, we summarize how crystal growth depends on parameters that can be controlled experimentally, and relate them to the tools available for optimizing a particular crystal form for crystal shape, volume, and diffraction quality. Our purpose is to sketch the conceptual basis of optimization and to provide sample protocols derived from those foundations. We hope to assist even those who chose not to use systematic methods by enabling them to carry out rudimentary optimization searches armed with a better understanding of how the underlying physical chemistry operates.

  11. Photonic crystal light source

    DOEpatents

    Fleming, James G [Albuquerque, NM; Lin, Shawn-Yu [Albuquerque, NM; Bur, James A [Corrales, NM

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  12. Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    2003-01-01

    In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

  13. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  14. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  15. Crystallization and crystal properties of squid rhodopsin

    SciTech Connect

    Murakami, Midori; Kitahara, Rei; Gotoh, Toshiaki; Kouyama, Tsutomu

    2007-06-01

    Truncated rhodopsin from the retina of the squid Todarodes pacificus was extracted and crystallized by the sitting-drop vapour-diffusion method. Hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. Rhodopsin, a photoreceptor membrane protein in the retina, is a prototypical member of the G-protein-coupled receptor family. In this study, rhodopsin from the retina of the squid Todarodes pacificus was treated with V8 protease to remove the C-terminal extension. Truncated rhodopsin was selectively extracted from the microvillar membranes using alkyl glucoside in the presence of zinc ions and was then crystallized by the sitting-drop vapour-diffusion method. Of the various crystals obtained, hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. The diffraction data suggested that the crystal belongs to space group P6{sub 2}, with unit-cell parameters a = b = 122.1, c = 158.6 Å. Preliminary crystallographic analysis, together with linear dichroism results, suggested that the rhodopsin dimers are packed in such a manner that their transmembrane helices are aligned nearly parallel to the c axis.

  16. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  17. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  18. Automated macromolecular crystallization screening

    DOEpatents

    Segelke, Brent W.; Rupp, Bernhard; Krupka, Heike I.

    2005-03-01

    An automated macromolecular crystallization screening system wherein a multiplicity of reagent mixes are produced. A multiplicity of analysis plates is produced utilizing the reagent mixes combined with a sample. The analysis plates are incubated to promote growth of crystals. Images of the crystals are made. The images are analyzed with regard to suitability of the crystals for analysis by x-ray crystallography. A design of reagent mixes is produced based upon the expected suitability of the crystals for analysis by x-ray crystallography. A second multiplicity of mixes of the reagent components is produced utilizing the design and a second multiplicity of reagent mixes is used for a second round of automated macromolecular crystallization screening. In one embodiment the multiplicity of reagent mixes are produced by a random selection of reagent components.

  19. Protein crystallization in microgravity.

    PubMed

    Aibara, S; Shibata, K; Morita, Y

    1997-12-01

    A space experiment involving protein crystallization was conducted in a microgravity environment using the space shuttle "Endeavour" of STS-47, on a 9-day mission from September 12th to 20th in 1992. The crystallization was carried out according to a batch method, and 5 proteins were selected as flight samples for crystallization. Two of these proteins: hen egg-white lysozyme and co-amino acid: pyruvate aminotransferase from Pseudomonas sp. F-126, were obtained as single crystals of good diffraction quality. Since 1992 we have carried out several space experiments for protein crystallization aboard space shuttles and the space station MIR. Our experimental results obtained mainly from hen egg-white lysozyme are described below, focusing on the effects of microgravity on protein crystal growth.

  20. Single Crystal Membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Morrison, A.

    1974-01-01

    Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.

  1. Antarctic stratospheric ice crystals

    NASA Technical Reports Server (NTRS)

    Goodman, J.; Toon, O. B.; Pueschel, R. F.; Snetsinger, K. G.; Verma, S.

    1989-01-01

    Ice crystals were replicated over the Palmer Peninsula at approximately 72 deg S on six occasions during the 1987 Airboirne Antarctic Ozone Experiment. The sampling altitude was between 12.5 and 18.5 km (45-65 thousand ft pressure altitude) with the temperature between 190 and 201 K. The atmosphere was subsaturated with respect to ice in all cases. The collected crystals were predominantly solid and hollow columns. The largest crystals were sampled at lower altitudes where the potential temperature was below 400 K. While the crystals were larger than anticipated, their low concentration results in a total surface area that is less than one tenth of the total aerosol surface area. The large ice crystals may play an important role in the observed stratospheric dehydration processes through sedimentation. Evidence of scavenging of submicron particles further suggests that the ice crystals may be effective in the removal of stratospheric chemicals.

  2. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent. Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:18429252

  3. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent . Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:22045560

  4. Liquid Crystal Optofluidics

    SciTech Connect

    Vasdekis, Andreas E.; Cuennet, J. G.; Psaltis, D.

    2012-10-11

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  5. Liquid crystal optofluidics

    NASA Astrophysics Data System (ADS)

    Vasdekis, A. E.; Cuennet, J. G.; Psaltis, D.

    2012-10-01

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  6. Heroin crystal nephropathy.

    PubMed

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-06-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy.

  7. Tunable plasmonic crystal

    DOEpatents

    Dyer, Gregory Conrad; Shaner, Eric A.; Reno, John L.; Aizin, Gregory

    2015-08-11

    A tunable plasmonic crystal comprises several periods in a two-dimensional electron or hole gas plasmonic medium that is both extremely subwavelength (.about..lamda./100) and tunable through the application of voltages to metal electrodes. Tuning of the plasmonic crystal band edges can be realized in materials such as semiconductors and graphene to actively control the plasmonic crystal dispersion in the terahertz and infrared spectral regions. The tunable plasmonic crystal provides a useful degree of freedom for applications in slow light devices, voltage-tunable waveguides, filters, ultra-sensitive direct and heterodyne THz detectors, and THz oscillators.

  8. Automation in biological crystallization.

    PubMed

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

  9. Automation in biological crystallization

    PubMed Central

    Shaw Stewart, Patrick; Mueller-Dieckmann, Jochen

    2014-01-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given. PMID:24915074

  10. Heroin crystal nephropathy

    PubMed Central

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-01-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy. PMID:26034599

  11. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F [Albuquerque, NM; Olsson, Roy H [Albuquerque, NM

    2012-01-10

    Phononic crystals that have the ability to modify and control the thermal black body phonon distribution and the phonon component of heat transport in a solid. In particular, the thermal conductivity and heat capacity can be modified by altering the phonon density of states in a phononic crystal. The present invention is directed to phononic crystal devices and materials such as radio frequency (RF) tags powered from ambient heat, dielectrics with extremely low thermal conductivity, thermoelectric materials with a higher ratio of electrical-to-thermal conductivity, materials with phononically engineered heat capacity, phononic crystal waveguides that enable accelerated cooling, and a variety of low temperature application devices.

  12. Crystals in magma chambers

    NASA Astrophysics Data System (ADS)

    Higgins, M.

    2011-12-01

    Differentiation processes in igneous systems are one way in which the diversity of igneous rocks is produced. Traditionally, magmatic diversity is considered as variations in the overall chemical composition, such as basalt and rhyolite, but I want to extend this definition to include textural diversity. Such textural variations can be manifested as differences in the amount of crystalline (and immiscible liquid) phases and in the origin and identity of such phases. One important differentiation process is crystal-liquid separation by floatation or decantation, which clearly necessitates crystals in the magma. Hence, it is important to determine if magmas in chambers (sensu lato) have crystals. The following discussion is framed in generalities - many exceptions occur. Diabase (dolerite) dykes are a common, widespread result of regional mafic magmatism. The rims of most diabase dykes have few or no phenocrysts and crystals in the cores are commonly thought to have crystallized in place. Hence, this major mafic magmatic source did not have crystals, although compositional diversity of these dykes is commonly explained by crystal-liquid separation. This can be resolved if crystallisation was on the walls on the magma chamber. Similarly, most flood basalts are low in crystals and separation of those that are present cannot always explain the observed compositional diversity. Crystal-rich flows do occur, for example the 'Giant Plagioclase Basalts' of the Deccan series, but the crystals are thought to form or accumulate in a crystal-rich zone beneath the roof of the chamber - the rest of the chamber probably has few crystals. Some magmas from Hawaii contain significant amounts of olivine crystals, but most of these are deformed and cannot have crystallised in the chamber. In this case the crystals are thought to grow as the magma passes through a decollement zone. They may have grown on the walls or been trapped by filters. Basaltic andesite ignimbrites generally have

  13. Advanced Protein Crystallization Facility (APCF)

    NASA Technical Reports Server (NTRS)

    1998-01-01

    This section of the Life and Microgravity Spacelab (LMS) publication contains articles entitled: (1) Crystallization of EGFR-EGF; (2) Crystallization of Apocrustacyanin C1; (3) Crystallization and X-ray Analysis of 5S rRNA and the 5S rRNA Domain A; (4) Growth of Lysozyme Crystals at Low Nucleation Density; (5) Comparative Analysis of Aspartyl tRNA-synthetase and Thaumatin Crystals Grown on Earth and In Microgravity; (6) Lysosome Crystal Growth in the Advanced Protein Crystallization Facility Monitored via Mach-Zehnder Interferometry and CCD Video; (7) Analysis of Thaumatin Crystals Grown on Earth and in Microgravity; (8) Crystallization of the Nucleosome Core Particle; (9) Crystallization of Photosystem I; (10) Mechanism of Membrane Protein Crystal Growth: Bacteriorhodopsin-mixed Micelle Packing at the Consolution Boundary, Stabilized in Microgravity; (11) Crystallization in a Microgravity Environment of CcdB, a Protein Involved in the Control of Cell Death; and (12) Crystallization of Sulfolobus Solfataricus

  14. Channeling through Bent Crystals

    SciTech Connect

    Mack, Stephanie; /Ottawa U. /SLAC

    2012-09-07

    Bent crystals have demonstrated potential for use in beam collimation. A process called channeling is when accelerated particle beams are trapped by the nuclear potentials in the atomic planes within a crystal lattice. If the crystal is bent then the particles can follow the bending angle of the crystal. There are several different effects that are observed when particles travel through a bent crystal including dechanneling, volume capture, volume reflection and channeling. With a crystal placed at the edge of a particle beam, part of the fringe of the beam can be deflected away towards a detector or beam dump, thus helping collimate the beam. There is currently FORTRAN code by Igor Yazynin that has been used to model the passage of particles through a bent crystal. Using this code, the effects mentioned were explored for beam energy that would be seen at the Facility for Advanced Accelerator Experimental Tests (FACET) at a range of crystal orientations with respect to the incoming beam. After propagating 5 meters in vacuum space past the crystal the channeled particles were observed to separate from most of the beam with some noise due to dechanneled particles. Progressively smaller bending radii, with corresponding shorter crystal lengths, were compared and it was seen that multiple scattering decreases with the length of the crystal therefore allowing for cleaner detection of the channeled particles. The input beam was then modified and only a portion of the beam sent through the crystal. With the majority of the beam not affected by the crystal, most particles were not deflected and after propagation the channeled particles were seen to be deflected approximately 5mm. After a portion of the beam travels through the crystal, the entire beam was then sent through a quadrupole magnet, which increased the separation of the channeled particles from the remainder of the beam to a distance of around 20mm. A different code, which was developed at SLAC, was used to

  15. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    Bugg, Charles E.

    1993-01-01

    Proteins account for 50% or more of the dry weight of most living systems and play a crucial role in virtually all biological processes. Since the specific functions of essentially all biological molecules are determined by their three-dimensional structures, it is obvious that a detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. At the present time, protein crystallography has no substitute, it is the only technique available for elucidating the atomic arrangements within complicated biological molecules. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting and promising projects have terminated at the crystal growth stage. There is a pressing need to better understand protein crystal growth, and to develop new techniques that can be used to enhance the size and quality of protein crystals. There are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor that might be expected to alter crystal growth processes in space is the elimination of density-driven convective flow. Another factor that can be readily controlled in the absence of gravity is the sedimentation of growing crystal in a gravitational field. Another potential advantage of microgravity for protein crystal growth is the option of doing containerless crystal growth. One can readily understand why the microgravity environment established by Earth-orbiting vehicles is perceived to offer unique opportunities for the protein crystallographer. The near term objectives of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

  16. Fluorescent Applications to Crystallization

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Forsythe, Elizabeth; Achari, Aniruddha

    2006-01-01

    By covalently modifying a subpopulation, less than or equal to 1%, of a macromolecule with a fluorescent probe, the labeled material will add to a growing crystal as a microheterogeneous growth unit. Labeling procedures can be readily incorporated into the final stages of purification, and tests with model proteins have shown that labeling u to 5 percent of the protein molecules does not affect the X-ray data quality obtained . The presence of the trace fluorescent label gives a number of advantages. Since the label is covalently attached to the protein molecules, it "tracks" the protein s response to the crystallization conditions. The covalently attached probe will concentrate in the crystal relative to the solution, and under fluorescent illumination crystals show up as bright objects against a darker background. Non-protein structures, such as salt crystals, do not show up under fluorescent illumination. Crystals have the highest protein concentration and are readily observed against less bright precipitated phases, which under white light illumination may obscure the crystals. Automated image analysis to find crystals should be greatly facilitated, without having to first define crystallization drop boundaries as the protein or protein structures is all that shows up. Fluorescence intensity is a faster search parameter, whether visually or by automated methods, than looking for crystalline features. Preliminary tests, using model proteins, indicates that we can use high fluorescence intensity regions, in the absence of clear crystalline features or "hits", as a means for determining potential lead conditions. A working hypothesis is that more rapid amorphous precipitation kinetics may overwhelm and trap more slowly formed ordered assemblies, which subsequently show up as regions of brighter fluorescence intensity. Experiments are now being carried out to test this approach using a wider range, of proteins. The trace fluorescently labeled crystals will also

  17. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  18. Thermotropic Ionic Liquid Crystals

    PubMed Central

    Axenov, Kirill V.; Laschat, Sabine

    2011-01-01

    The last five years’ achievements in the synthesis and investigation of thermotropic ionic liquid crystals are reviewed. The present review describes the mesomorphic properties displayed by organic, as well as metal-containing ionic mesogens. In addition, a short overview on the ionic polymer and self-assembled liquid crystals is given. Potential and actual applications of ionic mesogens are also discussed. PMID:28879986

  19. Crystal Shape Bingo.

    ERIC Educational Resources Information Center

    Rule, Audrey C.

    This document describes a game that provides students with practice in recognizing three dimensional crystal shapes and planar geometric shapes of crystal faces. It contains information on the objective of the game, game preparation, and rules for playing. Play cards are included (four to a page). (ASK)

  20. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  1. Crystal growth and crystallography

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    1998-01-01

    Selected topics that may be of interest for both crystal-structure and crystal-growth communities are overviewed. The growth of protein crystals, along with that of some other compounds, is one of the topics, and recent insights into related phenomena are considered as examples of applications of general principles. The relationship between crystal growth shape and structure is reviewed and an attempt to introduce semiquantitative characterization of binding for proteins is made. The concept of kinks for complex structures is briefly discussed. Even at sufficiently low supersaturations, the fluctuation of steps may not be sufficient to implement the Gibbs-Thomson law if the kink density is low enough. Subsurface ordering of liquids and growth of rough interfaces from melts is discussed. Crystals growing in microgravity from solution should be more perfect if they preferentially trap stress-inducing impurities, thus creating an impurity-depleted zone around themselves. Evidently, such a zone is developed only around the crystals growing in the absence of convection. Under terrestrial conditions, the self-purified depleted zone is destroyed by convection, the crystal traps more impurity and grows stressed. The stress relief causes mosaicity. In systems containing stress-inducing but poorly trapped impurities, the crystals grown in the absence of convection should be worse than those of their terrestrial counterparts.

  2. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  3. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

    Describes an experiment where equal parts of copper and aluminum are heated then cooled to show extremely large crystals. Suggestions are given for changing the orientation of crystals by varying cooling rates. Students are more receptive to concepts of microstructure after seeing this experiment. (DH)

  4. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  5. Conformal Vortex Crystals.

    PubMed

    Menezes, Raí M; Silva, Clécio C de Souza

    2017-10-06

    We investigate theoretically globally nonuniform configurations of quantized-flux vortices in clean superconductors trapped by an external force field that induces a nonuniform vortex density profile. Using an extensive series of numerical simulations, we demonstrate that, for suitable choices of the force field, and bellow a certain transition temperature, the vortex system self-organizes into highly inhomogeneous conformal crystals in a way as to minimize the total energy. These nonuniform structures are topologically ordered and can be mathematically mapped into a triangular Abrikosov lattice via a conformal transformation. Above the crystallization temperature, the conformal vortex crystal becomes unstable and gives place to a nonuniform polycrystalline structure. We propose a simple method to engineer the potential energy profile necessary for the observation of conformal crystals of vortices, which can also be applied to other 2D particle systems, and suggest possible experiments in which conformal or quasi-conformal vortex crystals could be observed in bulk superconductors and in thin films.

  6. Processing anthracene single crystals

    NASA Astrophysics Data System (ADS)

    Ujhelyi, S.

    1981-11-01

    A mechanical-chemical process for cutting anthracene crystals is described. A thread, soaked in toluene, dissolves a thin layer away from the material. The crystal is fixed to a metal platform placed between the two spools which wind the thread. The thread is not allowed to tighten as it crosses the crystal. For polishing, the slices are bonded with a gelatin solution onto a plexiglass disk, and rubbed with fine silk wetted with toluene. When one side is done the disk is immersed in water (room temperature) and soaks until the crystal can be removed, and the other side can be done. If the crystal splits in two, it can be rejoined using Canada balsam.

  7. Bioengineered magnetic crystals

    NASA Astrophysics Data System (ADS)

    Kasyutich, O.; Sarua, A.; Schwarzacher, W.

    2008-07-01

    In this paper we report on the successful application of a protein crystallization technique to fabricate a three-dimensionally ordered array of magnetic nanoparticles, i.e. a novel type of metamaterial with unique magnetic properties. We utilize ferritin protein cages for the template-constrained growth of superparamagnetic nanoparticles of magnetite/maghemite Fe3O4-γ-Fe2O3 (magnetoferritin), followed by thorough nanoparticle bioprocessing and purification, and finally by protein crystallization. Protein crystallization is driven by the natural response of proteins to the supersaturation of the electrolyte, which leads to spontaneous nucleation and 3D crystal growth. Within a short period of time (hours to days) we were able to grow functional crystals on the meso-scale, with sizes of the order of tens, up to a few hundred micrometres. We present initial magnetic and Raman spectroscopy characterization results for the obtained 3D arrays of magnetic nanoparticles.

  8. Polymer Crystallization under Confinement

    NASA Astrophysics Data System (ADS)

    Floudas, George

    Recent efforts indicated that polymer crystallization under confinement can be substantially different from the bulk. This can have important technological applications for the design of polymeric nanofibers with tunable mechanical strength, processability and optical clarity. However, the question of how, why and when polymers crystallize under confinement is not fully answered. Important studies of polymer crystallization confined to droplets and within the spherical nanodomains of block copolymers emphasized the interplay between heterogeneous and homogeneous nucleation. Herein we report on recent studies1-5 of polymer crystallization under hard confinement provided by model self-ordered AAO nanopores. Important open questions here are on the type of nucleation (homogeneous vs. heterogeneous), the size of critical nucleus, the crystal orientation and the possibility to control the overall crystallinity. Providing answers to these questions is of technological relevance for the understanding of nanocomposites containing semicrystalline polymers. In collaboration with Y. Suzuki, H. Duran, M. Steinhart, H.-J. Butt.

  9. Crystal growth of semiconductor bulk crystals

    SciTech Connect

    Kakimoto, Koichi

    2010-07-22

    This course is aimed at showing how to grow bulk crystals by using several methods. The course involves the following points. The growth methods of Bridgman and Czochralski will be introduced. The course also focuses on the mechanism of some processes with consideration of the basic phenomenon. Experimental and numerical examples of the methods will also be introduced.

  10. Crystallization of macromolecular complexes: combinatorial complex crystallization

    NASA Astrophysics Data System (ADS)

    Stura, Enrico A.; Graille, Marc; Charbonnier, Jean-Baptiste

    2001-11-01

    The usefulness of antibody complexation, as a way of increasing the chances of crystallization needs to be re-evaluated after many antibody complexes have been crystallized and their structure determined. It is somewhat striking that among these, only a small number is a complex with a large protein antigen. The problem is that the effort of raising, cleaving and purifying an Fab is rewarded only by an extra chance of getting crystals; depending on the relative likelihood of crystallization of the complexed and uncomplexed protein. The example of the complex between HIV gp120, CD4 and an Fab fragment from a neutralizing antibody suggests that further complexation of an antigen-antibody complex with a third protein could, by increasing the number of possible combinations, improve the likelihood of crystallization. We propose the use of Ig-binding proteins as a way of extending the method from HIV gp120 to all proteins for which there are monoclonal antibodies. We discuss this technique, combinatorial complex crystallization (CCC), as part of a multi-component system for the enhancement of crystallization of macromolecular complexes. The method makes use of single Ig-binding domains from Staphylococcus aureus protein A (SpA), Peptostreptococcus magnus protein L (PpL) and the streptococcal protein G (SpG). The generality of the method depends on the ability of these domains to interact with a large repertoire of antibodies without affecting antigen binding. There is strong evidence to suggest that these Ig-binding domains bind outside the antigen-combining site of the antibody without perturbing antigen binding. It is clear from the crystal structure of the single SpG domain complexed with an Fab that the interaction involves mainly the immunoglobulin CH1 domain, a region not involved in antigen recognition. We have recently determined the structure of the complex between a human Fab and the domain D from SpA and found that steric hindrance is unlikely even for large

  11. Dispersion in photonic crystals

    NASA Astrophysics Data System (ADS)

    Witzens, Jeremy

    2005-11-01

    Investigations on the dispersive properties of photonic crystals, modified scattering in ring-resonators, monolithic integration of vertical-cavity surface-emitting lasers and advanced data processing techniques for the finite-difference time-domain method are presented. Photonic crystals are periodic mesoscopic arrays of scatterers that modify the propagation properties of electromagnetic waves in a similar way as "natural" crystals modify the properties of electrons in solid-state physics. In this thesis photonic crystals are implemented as planar photonic crystals, i.e., optically thin semiconductor films with periodic arrays of holes etched into them, with a hole-to-hole spacing of the order of the wavelength of light in the dielectric media. Photonic crystals can feature forbidden frequency ranges (the band-gaps) in which light cannot propagate. Even though most work on photonic crystals has focused on these band-gaps for application such as confinement and guiding of light, this thesis focuses on the allowed frequency regions (the photonic bands) and investigates how the propagation of light is modified by the crystal lattice. In particular the guiding of light in bulk photonic crystals in the absence of lattice defects (the self-collimation effect) and the angular steering of light in photonic crystals (the superprism effect) are investigated. The latter is used to design a planar lightwave circuit for frequency domain demultiplexion. Difficulties such as efficient insertion of light into the crystal are resolved and previously predicted limitations on the resolution are circumvented. The demultiplexer is also fabricated and characterized. Monolithic integration of vertical-cavity surface-emitting lasers by means of resonantly enhanced grating couplers is investigated. The grating coupler is designed to bend light through a ninety-degree angle and is characterized with the finite-difference time-domain method. The vertical-cavity surface-emitting lasers are

  12. Shaped Crystal Growth

    NASA Astrophysics Data System (ADS)

    Tatartchenko, Vitali A.

    Crystals of specified shape and size (shaped crystals) with controlled crystal growth (SCG) defect and impurity structure have to be grown for the successful development of modern engineering. Since the 1950s many hundreds of papers and patents concerned with shaped growth have been published. In this chapter, we do not try to enumerate the successful applications of shaped growth to different materials but rather to carry out a fundamental physical and mathematical analysis of shaping as well as the peculiarities of shaped crystal structures. Four main techniques, based on which the lateral surface can be shaped without contact with the container walls, are analyzed: the Czochralski technique (CZT), the Verneuil technique (VT), the floating zone technique (FZT), and technique of pulling from shaper (TPS). Modifications of these techniques are analyzed as well. In all these techniques the shape of the melt meniscus is controlled by surface tension forces, i.e., capillary forces, and here they are classified as capillary shaping techniques (CST). We look for conditions under which the crystal growth process in each CST is dynamically stable. Only in this case are all perturbations attenuated and a crystal of constant cross section shaping technique (CST) grown without any special regulation. The dynamic stability theory of the crystal growth process for all CST is developed on the basis of Lyapunov's dynamic stability theory. Lyapunov's equations for the crystal growth processes follow from fundamental laws. The results of the theory allow the choice of stable regimes for crystal growth by all CST as well as special designs of shapers in TPS. SCG experiments by CZT, VT, and FZT are discussed but the main consideration is given to TPS. Shapers not only allow crystal of very complicated cross section to be grown but provide a special distribution of impurities. A history of TPS is provided later in the chapter, because it can only be described after explanation of the

  13. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Smith, Craig D.; Smith, H. Wilson; Vijay-Kumar, Senadhi; Senadhi, Shobha E.; Ealick, Steven E.; Carter, Daniel C.; Snyder, Robert S.

    1989-01-01

    The crystals of most proteins or other biological macromolecules are poorly ordered and diffract to lower resolutions than those observed for most crystals of simple organic and inorganic compounds. Crystallization in the microgravity environment of space may improve crystal quality by eliminating convection effects near growing crystal surfaces. A series of 11 different protein crystal growth experiments was performed on U.S. Space Shuttle flight STS-26 in September 1988. The microgravity-grown crystals of gamma-interferon D1, porcine elastase, and isocitrate lyase are larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions than the best crystals of these proteins grown on earth.

  14. Quartz crystal growth

    DOEpatents

    Baughman, Richard J.

    1992-01-01

    A process for growing single crystals from an amorphous substance that can undergo phase transformation to the crystalline state in an appropriate solvent. The process is carried out in an autoclave having a lower dissolution zone and an upper crystallization zone between which a temperature differential (.DELTA.T) is maintained at all times. The apparatus loaded with the substance, solvent, and seed crystals is heated slowly maintaining a very low .DELTA.T between the warmer lower zone and cooler upper zone until the amorphous substance is transformed to the crystalline state in the lower zone. The heating rate is then increased to maintain a large .DELTA.T sufficient to increase material transport between the zones and rapid crystallization. .alpha.-Quartz single crystal can thus be made from fused quartz in caustic solvent by heating to 350.degree. C. stepwise with a .DELTA.T of 0.25.degree.-3.degree. C., increasing the .DELTA.T to about 50.degree. C. after the fused quartz has crystallized, and maintaining these conditions until crystal growth in the upper zone is completed.

  15. Crystals in light.

    PubMed

    Kahr, Bart; Freudenthal, John; Gunn, Erica

    2010-05-18

    We have made images of crystals illuminated with polarized light for almost two decades. Early on, we abandoned photosensitive chemicals in favor of digital electrophotometry with all of the attendant advantages of quantitative intensity data. Accurate intensities are a boon because they can be used to analytically discriminate small effects in the presence of larger ones. The change in the form of our data followed camera technology that transformed picture taking the world over. Ironically, exposures in early photographs were presumed to correlate simply with light intensity, raising the hope that photography would replace sensorial interpretation with mechanical objectivity and supplant the art of visual photometry. This was only true in part. Quantitative imaging accurate enough to render the separation of crystalloptical quantities had to await the invention of the solid-state camera. Many pioneers in crystal optics were also major figures in the early history of photography. We draw out the union of optical crystallography and photography because the tree that connects the inventors of photography is a structure unmatched for organizing our work during the past 20 years, not to mention that silver halide crystallites used in chemical photography are among the most consequential "crystals in light", underscoring our title. We emphasize crystals that have acquired optical properties such as linear birefringence, linear dichroism, circular birefringence, and circular dichroism, during growth from solution. Other crystalloptical effects were discovered that are unique to curiously dissymmetric crystals containing embedded oscillators. In the aggregate, dyed crystals constitute a generalization of single crystal matrix isolation. Simple crystals provided kinetic stability to include guests such as proteins or molecules in excited states. Molecular lifetimes were extended for the preparation of laser gain media and for the study of the photodynamics of single

  16. Swimming in a crystal.

    PubMed

    Brown, Aidan T; Vladescu, Ioana D; Dawson, Angela; Vissers, Teun; Schwarz-Linek, Jana; Lintuvuori, Juho S; Poon, Wilson C K

    2016-01-07

    We study catalytic Janus particles and Escherichia coli bacteria swimming in a two-dimensional colloidal crystal. The Janus particles orbit individual colloids and hop between colloids stochastically, with a hopping rate that varies inversely with fuel (hydrogen peroxide) concentration. At high fuel concentration, these orbits are stable for 100s of revolutions, and the orbital speed oscillates periodically as a result of hydrodynamic, and possibly also phoretic, interactions between the swimmer and the six neighbouring colloids. Motile E. coli bacteria behave very differently in the same colloidal crystal: their circular orbits on plain glass are rectified into long, straight runs, because the bacteria are unable to turn corners inside the crystal.

  17. Analysis of Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1997-01-01

    A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

  18. Hypersonic phononic crystals.

    PubMed

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  19. Aluminum Nitride Crystal Growth

    DTIC Science & Technology

    1979-12-01

    UOSR-TR- 80 - 04 2 4EL4- G LEYEL ALUMINUM NITRIDE CRYSTAL GROWTH G.A. Slack FINAL REPORT Contract F49620-78-C-0021 DTIC Period Covered ELECTE I...Laboratory personnel worked on the problem of Aluminum Nitride Heat Sink Crystal Growth for the U.S. Air Force Office of Scientific Research under Contract...Number F44620-76-C-0039. From November 1, 1977 to the present we have worked on Aluminum Nitride and Boron Phosphide Crystal Growth under Contract NUmber

  20. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  1. Crystallization on prestructured seeds.

    PubMed

    Jungblut, Swetlana; Dellago, Christoph

    2013-01-01

    The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small prestructured seeds is studied with transition path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of a few particles arranged into a face- and body-centered cubic structure enhance the crystallization, while icosahedrally ordered seeds do not change the reaction rate. We identify two distinct nucleation regimes-close to the seed and in the bulk. Crystallites form close to the face- and body-centered structures and tend to stay away from the icosahedrally ordered seeds.

  2. Single crystals of chitosan.

    PubMed

    Cartier, N; Domard, A; Chanzy, H

    1990-10-01

    Lamellar single crystals of chitosan were prepared at 125 degrees C by adding ammonia to a low DP fraction of chitosan dissolved in water. The crystals gave sharp electron diffraction diagrams which could be indexed in an orthorhombic P2(1)2(1)2(1) unit cell with a = 8.07 A, b = 8.44 A, c = 10.34 A. The unit cell contained two anti-parallel chitosan chains and no water molecules. It was found that cellulose microfibrils from Valonia ventricosa could act as nuclei for inducing the crystallization of chitosan on cellulose. This produced a shish-kebab morphology.

  3. Shaping Crystal-Crystal Phase Transitions

    NASA Astrophysics Data System (ADS)

    Du, Xiyu; van Anders, Greg; Dshemuchadse, Julia; Glotzer, Sharon

    Previous computational and experimental studies have shown self-assembled structure depends strongly on building block shape. New synthesis techniques have led to building blocks with reconfigurable shape and it has been demonstrated that building block reconfiguration can induce bulk structural reconfiguration. However, we do not understand systematically how this transition happens as a function of building block shape. Using a recently developed ``digital alchemy'' framework, we study the thermodynamics of shape-driven crystal-crystal transitions. We find examples of shape-driven bulk reconfiguration that are accompanied by first-order phase transitions, and bulk reconfiguration that occurs without any thermodynamic phase transition. Our results suggest that for well-chosen shapes and structures, there exist facile means of bulk reconfiguration, and that shape-driven bulk reconfiguration provides a viable mechanism for developing functional materials.

  4. Computer Modeling of Crystallization and Crystal Size distributions

    NASA Astrophysics Data System (ADS)

    Amenta, R. V.

    2002-05-01

    The crystal size distribution of an igneous rock has been shown to be related to the crystallization kinetics. In order to better understand crystallization processes, the nucleation and growth of crystals in a closed system is modeled computationally and graphically. Units of volume analogous to unit cells are systematically attached to stationary crystal nuclei. The number of volume units attached to each crystal per growth stage is proportional to the crystal size insuring that crystal dimensional growth rates are constant regardless of their size. The number of new crystal nuclei per total system volume that form in each growth stage increases exponentially Cumulative crystal size distributions (CCSD) are determined for various stages of crystallization (30 percent, 60 pct, etc) from a database generated by the computer model, and each distribution is fit to an exponential function of the same form. Simulation results show that CCSD functions appear to fit the data reasonably well (R-square) with the greatest misfit at 100 pct crystallization. The crystal size distribution at each pct crystallization can be obtained from the derivative of the respective CCSD function. The log form of each crystal size distribution (CSD) is a linear function with negative slope. Results show that the slopes of the CSD functions at pcts crystallization up to 90 pct are parallel, but the slope at 100 pct crystallization differs from the others although still in approximate alignment. We suggest that real crystallization of igneous rocks may show this pattern. In the early stages of crystallization crystals are far apart and CSD's are ideal as predicted by theory based on growth of crystals in a brine. At advanced stages of crystallization growth collision boundaries develop between crystals. As contiguity increases crystals become blocked and inactive because they can no longer grow. As crystallization approaches 100 pct a significant number of inactive crystals exist resulting in

  5. Ice crystal terminal velocities

    NASA Technical Reports Server (NTRS)

    Heymsfield, A.

    1972-01-01

    Terminal velocities of different ice crystal forms were calculated using the most recent ice crystal drag coefficients, aspect ratios, and densities. The equations derived were primarily for use in calculating precipitation rates by sampling particles with an aircraft in cirrus clouds, and determining particle size in cirrus clouds by Doppler radar. However, the equations are sufficiently general for determining particle terminal velocity at any altitude, and most any crystal type. Two sets of equations were derived. The general equations provide a good estimate of terminal velocities at any altitude. The specific equations are a set of equations for ice crystal terminal velocities at 1000 mb. The calculations are in good agreement with terminal velocity measurements. The results from the present study were also compared to prior calculations by others and seem to give more reasonable results, particularly at higher altitudes.

  6. Ice crystal terminal velocities.

    NASA Technical Reports Server (NTRS)

    Heymsfield, A.

    1972-01-01

    Terminal velocities of different ice crystal forms were calculated, using the most recent ice crystal drag coefficients, aspect ratios, and densities. The equations derived were primarily for use in calculating precipitation rates by sampling particles with an aircraft in cirrus clouds, and determining particle size in cirrus clouds by Doppler radar. However, the equations are sufficiently general for determining particle terminal velocity at any altitude, and almost any crystal type. Two sets of equations were derived. The 'general' equations provide a good estimate of terminal velocities at any altitude. The 'specific' equations are a set of equations for ice crystal terminal velocities at 1000 mb. The calculations are in good agreement with terminal velocity measurements. The results from the present study were also compared to prior calculations by others and seem to give more reasonable results, particularly at higher altitudes.

  7. Crystallization of Silicon Ribbons

    NASA Technical Reports Server (NTRS)

    Leipold, M. H.

    1984-01-01

    Purity constraints for reasonable solar-cell efficiency require that silicon-ribbon growth for photovoltaics occur in a regime in which constitutional supercooling or other compositional effects on the crystallization front are not important. A major consideration in the fundamentals of crystallization is the removal of the latent heat of fusion. The direction of removal, compared with the growth direction, has a major influence on the crystallization rate and the development of localized stresses. The detailed shape of the crystallization front appears to have two forms: that required for dendritic-web growth, and that occurring in all others. After the removal of the latent heat of fusion, the thermal-mechanical behavior of all ribbons appears similar within the constraints of the exothermal gradient. The technological constraints in achieving the required thermal and mechanical conditions vary widely among the growth processes.

  8. Shaping Crystals using Electrophoresis

    NASA Astrophysics Data System (ADS)

    Palacci, Jeremie; Mackiewicz, Kristian

    2016-11-01

    Electrophoresis is size and shape independent as stressed by Morrison in his seminal paper. Here we present an original approach to reshape colloidal crystals using an electric field as a carving tool.

  9. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  10. No warmup crystal oscillator

    NASA Technical Reports Server (NTRS)

    Phillips, D. H.

    1982-01-01

    During warmup, crystal oscillators often show a frequency offset as large as 1 part in 10 to the 5th power. If timing information is transferred to the oscillator and then the oscillator is allowed to warmup, a timing error greater than 1 millisecond will occur. For many applications, it is unsuitable to wait for the oscillator to warmup. For medium accuracy timing requirements where overall accuracies in the order of 1 millisecond are required, a no warmup crystal concept was developed. The concept utilizes two crystal oscillator, used sequentially to avoid using a crystal oscillator for timing much higher frequency accuracy once warmed up. The accuracy achieved with practical TCXOs at initial start over a range of temperatures is discussed. A second design utilizing two oven controlled oscillators is also discussed.

  11. Crystallization of supercooled liquids

    NASA Astrophysics Data System (ADS)

    Odagaki, Takashi; Shikuya, Yuuna

    2014-03-01

    We investigate the crystallization process on the basis of the free energy landscape (FEL) approach to non-equilibrium systems. In this approach, the crystallization time is given by the first passage time of the representative point arriving at the crystalline basin in the FEL. We devise an efficient method to obtain the first passage time exploiting a specific boundary condition. Applying this formalism to a model system, we show that the first passage time is determined by two competing effects; one is the difference in the free energy of the initial and the final basins, and the other is the slow relaxation. As the temperature is reduced, the former accelerates the crystallization and the latter retards it. We show that these competing effects give rise to the typical nose-shape form of the time-temperature transformation curve and that the retardation of the crystallization is related to the mean waiting time of the jump motion.

  12. Crystallization behavior of anorthite

    NASA Technical Reports Server (NTRS)

    Klein, L.; Uhlmann, D. R.

    1974-01-01

    The growth rate of anorthite crystals from the melt is studied as a function of temperature with undercooling in the ranges 52-152 and 402-652 degrees C. The triclinic form is invariably observed as the crystallization product, growth is preferentially in the c direction, and the interface morphology is faceted. Significant growth rate anisotropy is indicated. The maximum growth rate of anorthite from the melt is higher than for anorthite-rich lunar compositions. Recent computer studies are combined with experimental data to estimate the heat of fusion of anorthite as 28000-45000 cal/mol; the corresponding range for entropy of fusion is (7.8-12)R (where R is the gas constant). The observations and kinetic data support Jackson's predictions concerning materials with large entropies of fusion and his suggestion that entropy of fusion is an important parameter for characterizing the crystal-liquid interface and the nature of the crystallization process.

  13. Crystal-Clear Technology.

    ERIC Educational Resources Information Center

    Ondris-Crawford, Renate J.; And Others

    1993-01-01

    Provides diagrams to aid in discussing polymer dispersed liquid crystal (PDLC) technology. Equipped with a knowledge of PDLC, teachers can provide students with insight on how the gap between basic science and technology is bridged. (ZWH)

  14. Diffusion in Coulomb crystals

    SciTech Connect

    Hughto, J.; Schneider, A. S.; Horowitz, C. J.; Berry, D. K.

    2011-07-15

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions ''hop'' in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter {Gamma}=175 to Coulomb parameters up to {Gamma}=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.

  15. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  16. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  17. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  18. Ordering in Conformal Crystals

    NASA Astrophysics Data System (ADS)

    Soni, Vishal; Gomez, Leopoldo; Irvine, William

    2014-03-01

    Condensed matter systems commonly undergo ordering processes that are frustrated by geometric constraints. Experiments on interfacial colloidal systems have resulted in several recent insights into the two dimensional ordering of crystalline lattices frustrated by Gaussian curvature. We study the ordering of flat colloidal Wigner crystals immersed in an axially symmetric potential. By relating the resulting inhomogenous structure to a lattice with Gaussian curvature, we investigate the role of topological defects in organizing the conformal crystal-like ground state.

  19. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  20. Liquid Crystal Airborne Display

    DTIC Science & Technology

    1977-08-01

    81/2X 11- 10 -9 .8 display using a large advertising alphanimeric ( TCI ) has been added to the front of the optical box used in the F-4 aircraft for HUD...properties over a wide range of tempera - tures, including normal room temperature. What are Liquid Crystals? Liquid crystals have been classified in three...natic fanctions and to present data needed for the semi- automatic and manual control of system functions. Existing aircraft using CRT display

  1. Active cluster crystals

    NASA Astrophysics Data System (ADS)

    Delfau, Jean-Baptiste; López, Cristóbal; Hernández-García, Emilio

    2017-09-01

    We study the appearance and properties of cluster crystals (solids in which the unit cell is occupied by a cluster of particles) in a two-dimensional system of self-propelled active Brownian particles with repulsive interactions. Self-propulsion deforms the clusters by depleting particle density inside, and for large speeds it melts the crystal. Continuous field descriptions at several levels of approximation allow us to identify the relevant physical mechanisms.

  2. Macromolecular Crystal Quality

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Borgstahl, Gloria E. O.; Bellamy, Henry D.; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    There are many ways of judging a good crystal. Which we use depends on the qualities we seek. For gemstones size, clarity and impurity levels (color) are paramount. For the semiconductor industry purity is probably the most important quality. For the structural crystallographer the primary desideratum is the somewhat more subtle concept of internal order. In this chapter we discuss the effect of internal order (or the lack of it) on the crystal's diffraction properties.

  3. Crystal growth of drug materials by spherical crystallization

    NASA Astrophysics Data System (ADS)

    Szabó-Révész, P.; Hasznos-Nezdei, M.; Farkas, B.; Göcző, H.; Pintye-Hódi, K.; Erős, I.

    2002-04-01

    One of the crystal growth processes is the production of crystal agglomerates by spherical crystallization. Agglomerates of drug materials were developed by means of non-typical (magnesium aspartate) and typical (acetylsalicylic acid) spherical crystallization techniques. The growth of particle size and the spherical form of the agglomerates resulted in formation of products with good bulk density, flow, compactibility and cohesivity properties. The crystal agglomerates were developed for direct capsule-filling and tablet-making.

  4. Engineering Crystal Morphology

    NASA Astrophysics Data System (ADS)

    Dandekar, Preshit; Kuvadia, Zubin B.; Doherty, Michael F.

    2013-07-01

    Crystallization is an important separation and particle formation technique in the manufacture of high-value-added products. During crystallization, many physicochemical characteristics of the substance are established. Such characteristics include crystal polymorph, shape and size, chemical purity and stability, reactivity, and electrical and magnetic properties. However, control over the physical form of crystalline materials has remained poor, due mainly to an inadequate understanding of the basic growth and dissolution mechanisms, as well as of the influence of impurities, additives, and solvents on the growth rate of individual crystal faces. Crystal growth is a surface-controlled phenomenon in which solute molecules are incorporated into surface lattice sites to yield the bulk long-range order that characterizes crystalline materials. In this article, we describe some recent advances in crystal morphology engineering, with a special focus on a new mechanistic model for spiral growth. These mechanistic ideas are simple enough that they can be made to work and accurate enough that they are useful.

  5. Phononic crystal diffraction gratings

    NASA Astrophysics Data System (ADS)

    Moiseyenko, Rayisa P.; Herbison, Sarah; Declercq, Nico F.; Laude, Vincent

    2012-02-01

    When a phononic crystal is interrogated by an external source of acoustic waves, there is necessarily a phenomenon of diffraction occurring on the external enclosing surfaces. Indeed, these external surfaces are periodic and the resulting acoustic diffraction grating has a periodicity that depends on the orientation of the phononic crystal. This work presents a combined experimental and theoretical study on the diffraction of bulk ultrasonic waves on the external surfaces of a 2D phononic crystal that consists of a triangular lattice of steel rods in a water matrix. The results of transmission experiments are compared with theoretical band structures obtained with the finite-element method. Angular spectrograms (showing frequency as a function of angle) determined from diffraction experiments are then compared with finite-element simulations of diffraction occurring on the surfaces of the crystal. The experimental results show that the diffraction that occurs on its external surfaces is highly frequency-dependent and has a definite relation with the Bloch modes of the phononic crystal. In particular, a strong influence of the presence of bandgaps and deaf bands on the diffraction efficiency is found. This observation opens perspectives for the design of efficient phononic crystal diffraction gratings.

  6. The Crystallization of Monosodium Urate

    PubMed Central

    Martillo, Miguel A.; Nazzal, Lama; Crittenden, Daria B.

    2014-01-01

    Gout is a common crystal-induced arthritis, in which monosodium urate (MSU) crystals precipitate within joints and soft tissues and elicit an inflammatory response. The causes of elevated serum urate and the inflammatory pathways activated by MSU crystals have been well studied, but less is known about the processes leading to crystal formation and growth. Uric acid, the final product of purine metabolism, is a weak acid that circulates as the deprotonated urate anion under physiologic conditions, and combines with sodium ions to form MSU. MSU crystals are known to have a triclinic structure, in which stacked sheets of purine rings form the needle-shaped crystals that are observed microscopically. Exposed, charged crystal surfaces are thought to allow for interaction with phospholipid membranes and serum factors, playing a role in the crystal-mediated inflammatory response. While hyperuricemia is a clear risk factor for gout, local factors have been hypothesized to play a role in crystal formation, such as temperature, pH, mechanical stress, cartilage components, and other synovial and serum factors. Interestingly, several studies suggest that MSU crystals may drive the generation of crystal-specific antibodies that facilitate future MSU crystallization. Here, we review MSU crystal biology, including a discussion of crystal structure, effector function, and factors thought to play a role in crystal formation. We also briefly compare MSU biology to that of uric acid stones causing nephrolithasis, and consider the potential treatment implications of MSU crystal biology. PMID:24357445

  7. Crystal growth of artificial snow

    NASA Technical Reports Server (NTRS)

    Kimura, S.; Oka, A.; Taki, M.; Kuwano, R.; Ono, H.; Nagura, R.; Narimatsu, Y.; Tanii, J.; Kamimiytat, Y.

    1984-01-01

    Snow crystals were grown onboard the space shuttle during STS-7 and STS-8 to facilitate the investigation of crystal growth under conditions of weightlessness. The experimental design and hardware are described. Space-grown snow crystals were polyhedrons looking like spheres, which were unlike snow crystals produced in experiments on Earth.

  8. High-throughput crystallization screening.

    PubMed

    Skarina, Tatiana; Xu, Xiaohui; Evdokimova, Elena; Savchenko, Alexei

    2014-01-01

    Protein structure determination by X-ray crystallography is dependent on obtaining a single protein crystal suitable for diffraction data collection. Due to this requirement, protein crystallization represents a key step in protein structure determination. The conditions for protein crystallization have to be determined empirically for each protein, making this step also a bottleneck in the structure determination process. Typical protein crystallization practice involves parallel setup and monitoring of a considerable number of individual protein crystallization experiments (also called crystallization trials). In these trials the aliquots of purified protein are mixed with a range of solutions composed of a precipitating agent, buffer, and sometimes an additive that have been previously successful in prompting protein crystallization. The individual chemical conditions in which a particular protein shows signs of crystallization are used as a starting point for further crystallization experiments. The goal is optimizing the formation of individual protein crystals of sufficient size and quality to make them suitable for diffraction data collection. Thus the composition of the primary crystallization screen is critical for successful crystallization.Systematic analysis of crystallization experiments carried out on several hundred proteins as part of large-scale structural genomics efforts allowed the optimization of the protein crystallization protocol and identification of a minimal set of 96 crystallization solutions (the "TRAP" screen) that, in our experience, led to crystallization of the maximum number of proteins.

  9. Crystal Ball Functional Model

    NASA Astrophysics Data System (ADS)

    Plotnick, David

    2016-09-01

    The A2 collaboration of the MAinz MIkrotron is dedicated to studying meson production and nucleon structure and behavior via photon scattering. The photons are made via bremsstrahlung process and energy-tagged using the Glasgow Photon tagger. The photon beam then interacts in a variety of targets: cryogenic, polarized or solid state, and scattered particles deposit their energy within the NaI crystals. Scintillators are able to give results on particles energy and time. Events are reconstructed by combining information from the Tagging spectrometer, the Crystal Ball detector, the TAPS forward wall spectrometer, a Cherenkov detector, and multi-wire proportional chambers. To better understand the detector and experimental events, a live display was built to show energies deposited in crystals in real-time. In order to show a range of energies and particles, addressable LEDs that are individually programmable were used. To best replicate the Crystal Ball, 3D printing technology was employed to build a similar highly segmented icosahedron that can hold each LED, creating a 3D representation of what photons see during experiments. The LEDs were controlled via Arduino microcontroller. Finally, we implemented the Experimental Physics and Industrial Control System to grab live event data, and a simple program converts this data in to color and crystal number data that is able to communicate with the Arduino. Using these simple parts, we can better visualize and understand the tools used in nuclear physics. This material is based upon work supported by the National Science Foundation Grant No. IIA-1358175.

  10. Crystal Growth Control

    NASA Technical Reports Server (NTRS)

    Duval, Walter M. B.; Batur, Celal; Bennett, Robert J.

    1997-01-01

    We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful for scientific and commercial applications for the determination of process parameters to optimize crystal growth conditions.

  11. Introduction to protein crystallization.

    PubMed

    McPherson, Alexander; Gavira, Jose A

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid-liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies.

  12. Introduction to protein crystallization

    PubMed Central

    McPherson, Alexander; Gavira, Jose A.

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid–liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies. PMID:24419610

  13. Protein crystals and their growth

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2003-01-01

    Recent results on the associations between protein molecules in crystal lattices, crystal-solution surface energy, elastic properties, strength, and spontaneous crystal cracking are reviewed and discussed. In addition, some basic approaches to understanding the solubility of proteins are followed by an overview of crystal nucleation and growth. It is argued that variability of mixing in batch crystallization may be a source of the variation in the number of crystals ultimately appearing in the sample. The frequency at which new molecules join a crystal lattice is measured by the kinetic coefficient and is related to the observed crystal growth rate. Numerical criteria used to discriminate diffusion- and kinetic-limited growth are discussed on this basis. Finally, the creation of defects is discussed with an emphasis on the role of impurities and convection on macromolecular crystal perfection.

  14. Protein Crystals and their Growth

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2004-01-01

    Recent results on binding between protein molecules in crystal lattice, crystal-solution surface energy, elastic properties and strength and spontaneous crystal cracking are reviewed and discussed in the first half of this paper (Sea 2-4). In the second par&, some basic approaches to solubility of proteins are followed by overview on crystal nucleation and growth (Sec 5). It is argued that variability of mixing in batch crystallization may be a source for scattering of crystal number ultimately appearing in the batch. Frequency at which new molecules join crystal lattice is measured by kinetic coefficient and related to the observable crystal growth rate. Numerical criteria to discriminate diffusion and kinetic limited growth are discussed on this basis in Sec 7. In Sec 8, creation of defects is discussed with the emphasis on the role of impurities and convection on macromolecular crystal I;erfection.

  15. Protein crystals and their growth

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2003-01-01

    Recent results on the associations between protein molecules in crystal lattices, crystal-solution surface energy, elastic properties, strength, and spontaneous crystal cracking are reviewed and discussed. In addition, some basic approaches to understanding the solubility of proteins are followed by an overview of crystal nucleation and growth. It is argued that variability of mixing in batch crystallization may be a source of the variation in the number of crystals ultimately appearing in the sample. The frequency at which new molecules join a crystal lattice is measured by the kinetic coefficient and is related to the observed crystal growth rate. Numerical criteria used to discriminate diffusion- and kinetic-limited growth are discussed on this basis. Finally, the creation of defects is discussed with an emphasis on the role of impurities and convection on macromolecular crystal perfection.

  16. Protein Crystals and their Growth

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2004-01-01

    Recent results on binding between protein molecules in crystal lattice, crystal-solution surface energy, elastic properties and strength and spontaneous crystal cracking are reviewed and discussed in the first half of this paper (Sea 2-4). In the second par&, some basic approaches to solubility of proteins are followed by overview on crystal nucleation and growth (Sec 5). It is argued that variability of mixing in batch crystallization may be a source for scattering of crystal number ultimately appearing in the batch. Frequency at which new molecules join crystal lattice is measured by kinetic coefficient and related to the observable crystal growth rate. Numerical criteria to discriminate diffusion and kinetic limited growth are discussed on this basis in Sec 7. In Sec 8, creation of defects is discussed with the emphasis on the role of impurities and convection on macromolecular crystal I;erfection.

  17. Flexible ferroelectric organic crystals

    PubMed Central

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-01-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity—the properties that originate from their non-centrosymmetric crystal lattice—but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals. PMID:27734829

  18. Flexible ferroelectric organic crystals

    SciTech Connect

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-10-13

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. But, until now, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. We report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity-the properties that originate from their non-centrosymmetric crystal lattice-but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals.

  19. Photonic Crystal Microchip Laser

    NASA Astrophysics Data System (ADS)

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-09-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation.

  20. Photonic Crystal Microchip Laser

    PubMed Central

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-01-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation. PMID:27683066

  1. Photonic Crystal Microchip Laser.

    PubMed

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-09-29

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M(2) reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the "photonic crystal microchip laser", a very compact and efficient light source emitting high spatial quality high brightness radiation.

  2. Photonic crystal microchip laser

    NASA Astrophysics Data System (ADS)

    Gailevicius, D.; Koliadenko, V.; Purlys, V.; Peckus, M.; Taranenko, V.; Staliunas, K.

    2017-02-01

    The microchip lasers, being sources of coherent light, suffer from one serious drawback: low spatial quality of the beam, strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here we propose that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. We experimentally show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by factor of 2, and thus increase the brightness of radiation by a factor of 4. This comprises a new kind of laser, the "photonic crystal microchip laser", a very compact and efficient light source emitting high spatial high brightness radiation.

  3. Frequency doubling crystals

    DOEpatents

    Wang, Francis; Velsko, Stephan P.

    1989-01-01

    A systematic approach to the production of frequency conversion crystals is described in which a chiral molecule has attached to it a "harmonic generating unit" which contributes to the noncentrosymmetry of the molecule. Certain preferred embodiments of such harmonic generating units include carboxylate, guanadyly and imidazolyl units. Certain preferred crystals include L-arginine fluoride, deuterated L-arginine fluoride, L-arginine chloride monohydrate, L-arginine acetate, dithallium tartrate, ammonium N-acetyl valine, N-acetyl tyrosine and N-acetyl hydroxyproline. Chemical modifications of the chiral molecule, such as deuteration, halogenation and controlled counterion substitution are available to adapt the dispersive properties of a crystal in a particular wavelength region.

  4. Crystallization under nonuniform conditions

    NASA Astrophysics Data System (ADS)

    Kumar, C.

    1980-03-01

    The tendency of crystals to grow uniformly to maintain their habit is the characteristic feature of such growth. Classical crystal growth theory predicts that this uniform growth should break down when the growth reaches its Wilson-Frenkel limiting value locally. If the local supersaturation is known at the point of breakdown, as determined experimentally, the deposition coefficient can then be calculated directly avoiding the usual multiparameter fitting of growth data. An experimental technique employing an impinging jet was used in this study of crystal growth of MgSO47H2O from water. The radial onset of liquid inclusions about the jet stagnation point is believed to indicate local Wilson-Frenkel growth. The deposition coefficient C is then determined from C=G/ sigma sub 0 min, where G is from transport modelling. The results are encouraging enough to recommend further intensive study.

  5. Time Crystals: a review.

    PubMed

    Sacha, Krzysztof; Zakrzewski, Jakub

    2017-09-08

    Time crystals are time-periodic self-organized structures postulated by Frank Wilczek in 2012. While the original concept was strongly criticized, it stimulated at the same time an intensive research leading to propositions and experimental verifications of discrete (or Floquet) time crystals -- the structures that appear in the time domain due to spontaneous breaking of discrete time translation symmetry. The struggle to observe discrete time crystals is reviewed here together with propositions that generalize this concept introducing condensed matter like physics in the time domain. We shall also revisit the original Wilczek's idea and review strategies aimed at spontaneous breaking of continuous time translation symmetry. . © 2017 IOP Publishing Ltd.

  6. Microgravity crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Advanced finite element models are used to study three-dimensional, time-dependent flow and segregation in crystal growth systems. In this image of a prototypical model for melt and crystal growth, pathlines at one instant in time are shown for the flow of heated liquid silicon in a cylindrical container. The container is subjected to g-jitter disturbances along the vertical axis. A transverse magnetic field is applied to control them. Such computations are extremely powerful for understanding melt growth in microgravity where g-jitter drives buoyant flows. The simulation is part of the Theoretical Analysis of 3D, Transient Convection and Segregation in Microgravity Bridgman Crystal Growth investigation by Dr. Jeffrey J. Derby of the University of Mirnesota, Minneapolis.

  7. Microgravity crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Advanced finite element models are used to study three-dimensional, time-dependent flow and segregation in crystal growth systems. In this image of a prototypical model for melt and crystal growth, pathlines at one instant in time are shown for the flow of heated liquid silicon in a cylindrical container. The container is subjected to g-jitter disturbances along the vertical axis. A transverse magnetic field is applied to control them. Such computations are extremely powerful for understanding melt growth in microgravity where g-jitter drives buoyant flows. The simulation is part of the Theoretical Analysis of 3D, Transient Convection and Segregation in Microgravity Bridgman Crystal Growth investigation by Dr. Jeffrey J. Derby of the University of Mirnesota, Minneapolis.

  8. Flexible ferroelectric organic crystals

    DOE PAGES

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; ...

    2016-10-13

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. But, until now, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. We report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity-the properties that originate from their non-centrosymmetric crystal lattice-but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules.more » This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals.« less

  9. Flexible ferroelectric organic crystals

    NASA Astrophysics Data System (ADS)

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-10-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity--the properties that originate from their non-centrosymmetric crystal lattice--but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals.

  10. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell (standing), Post-Doctoral Fellow the National Research Council (NRC),and Marc Pusey of Marshall Space Flight Center (MSFC) use a reciprocal space mapping diffractometer for marcromolecular crystal quality studies. The diffractometer is used in mapping the structure of marcromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystalized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  11. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell (standing), Post-Doctoral Fellow the National Research Council (NRC),and Marc Pusey of Marshall Space Flight Center (MSFC) use a reciprocal space mapping diffractometer for marcromolecular crystal quality studies. The diffractometer is used in mapping the structure of marcromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystalized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  12. Protein Crystal Malic Enzyme

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Malic Enzyme is a target protein for drug design because it is a key protein in the life cycle of intestinal parasites. After 2 years of effort on Earth, investigators were unable to produce any crystals that were of high enough quality and for this reason the structure of this important protein could not be determined. Crystals obtained from one STS-50 were of superior quality allowing the structure to be determined. This is just one example why access to space is so vital for these studies. Principal Investigator is Larry DeLucas.

  13. FRACTIONAL CRYSTALLIZATION FEED ENVELOPE

    SciTech Connect

    HERTING DL

    2008-03-19

    Laboratory work was completed on a set of evaporation tests designed to establish a feed envelope for the fractional crystallization process. The feed envelope defines chemical concentration limits within which the process can be operated successfully. All 38 runs in the half-factorial design matrix were completed successfully, based on the qualitative definition of success. There is no feed composition likely to be derived from saltcake dissolution that would cause the fractional crystallization process to not meet acceptable performance requirements. However, some compositions clearly would provide more successful operation than other compositions.

  14. Protein Crystal Malic Enzyme

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Malic Enzyme is a target protein for drug design because it is a key protein in the life cycle of intestinal parasites. After 2 years of effort on Earth, investigators were unable to produce any crystals that were of high enough quality and for this reason the structure of this important protein could not be determined. Crystals obtained from one STS-50 were of superior quality allowing the structure to be determined. This is just one example why access to space is so vital for these studies. Principal Investigator is Larry DeLucas.

  15. Quartz Crystal Clocks

    NASA Technical Reports Server (NTRS)

    1976-01-01

    General Time Corporation, under contract to NASA, developed a quartz crystal for obtaining a stable time base from which all mission times could be derived. This later became basis of consumer clocks and watches with accuracy of one minute a year, watches useful in timing sports events as well as general use. When quartz is electrically stimulated it can vibrate millions of times a second. Since timepieces use a vibrating body to keep up time, incredibly fast vibration of a quartz crystal--up to 4,194,304 beats a second opened a new horizon in accuracy.

  16. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    1999-01-01

    A method and apparatus for dynamically controlling the crystallization of proteins including a crystallization chamber or chambers for holding a protein in a salt solution, one or more salt solution chambers, two communication passages respectively coupling the crystallization chamber with each of the salt solution chambers, and transfer mechanisms configured to respectively transfer salt solution between each of the salt solution chambers and the crystallization chamber. The transfer mechanisms are interlocked to maintain the volume of salt solution in the crystallization chamber substantially constant. Salt solution of different concentrations is transferred into and out of the crystallization chamber to adjust the salt concentration in the crystallization chamber to achieve precise control of the crystallization process.

  17. Functionalizing Designer DNA Crystals

    NASA Astrophysics Data System (ADS)

    Chandrasekaran, Arun Richard

    Three-dimensional crystals have been self-assembled from a DNA tensegrity triangle via sticky end interaction. The tensegrity triangle is a rigid DNA motif containing three double helical edges connected pair-wise by three four-arm junctions. The symmetric triangle contains 3 unique strands combined in a 3:3:1 ratio: 3 crossover, 3 helical and 1 central. The length of the sticky end reported previously was two nucleotides (nt) (GA:TC) and the motif with 2-helical turns of DNA per edge diffracted to 4.9 A at beam line NSLS-X25 and to 4 A at beam line ID19 at APS. The purpose of these self-assembled DNA crystals is that they can be used as a framework for hosting external guests for use in crystallographic structure solving or the periodic positioning of molecules for nanoelectronics. This thesis describes strategies to improve the resolution and to incorporate guests into the 3D lattice. The first chapter describes the effect of varying sticky end lengths and the influence of 5'-phosphate addition on crystal formation and resolution. X-ray diffraction data from beam line NSLS-X25 revealed that the crystal resolution for 1-nt (G:C) sticky end was 3.4 A. Motifs with every possible combination of 1-nt and 2-nt sticky-ended phosphorylated strands were crystallized and X-ray data were collected. The position of the 5'-phosphate on either the crossover (strand 1), helical (strand 2), or central strand (3) had an impact on the resolution of the self-assembled crystals with the 1-nt 1P-2-3 system diffracting to 2.62 A at APS and 3.1 A at NSLS-X25. The second chapter describes the sequence-specific recognition of DNA motifs with triplex-forming oligonucleotides (TFOs). This study examined the feasibility of using TFOs to bind to specific locations within a 3-turn DNA tensegrity triangle motif. The TFO 5'-TTCTTTCTTCTCT was used to target the tensegrity motif containing an appropriately embedded oligopurine.oligopyrimidine binding site. As triplex formation involving cytidine

  18. Exotic crystal superstructures of colloidal crystals in confinement.

    PubMed

    Fontecha, Ana Barreira; Schöpe, Hans Joachim

    2008-06-01

    Colloidal model systems have been used for over three decades for investigating liquids, crystals, and glasses. Colloidal crystal superstructures have been observed in binary systems of repulsive spheres as well as oppositely charged sphere systems showing structures well known from atomic solids. In this work we study the structural transition of colloidal crystals under confinement. In addition to the known sequence of crystalline structures, crystal superstructures with dodecagonal and hexagonal symmetry are observed in one component systems. These structures have no atomic counterpart.

  19. The Crystal Hotel: A Microfluidic Approach to Biomimetic Crystallization.

    PubMed

    Gong, Xiuqing; Wang, Yun-Wei; Ihli, Johannes; Kim, Yi-Yeoun; Li, Shunbo; Walshaw, Richard; Chen, Li; Meldrum, Fiona C

    2015-12-02

    A "crystal hotel" microfluidic device that allows crystal growth in confined volumes to be studied in situ is used to produce large calcite single crystals with predefined crystallographic orientation, microstructure, and shape by control of the detailed physical environment, flow, and surface chemistry. This general approach can be extended to form technologically important, nanopatterned single crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. REFINEMENT OF THE CRYSTAL STRUCTURE OF GUANIDINIUM ALUMINUM SULFATE HEXAHYDRATE.

    DTIC Science & Technology

    FERROELECTRIC CRYSTALS, * CRYSTAL STRUCTURE ), (*GUANIDINES, CRYSTAL STRUCTURE ), (*ALUMINUM COMPOUNDS, CRYSTAL STRUCTURE ), SULFATES, HYDRATES, X RAY DIFFRACTION, CHROMIUM COMPOUNDS, CRYSTAL LATTICES, CHEMICAL BONDS

  1. The Crystal Set

    ERIC Educational Resources Information Center

    Greenslade, Thomas B., Jr.

    2014-01-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought…

  2. Thermoelectricity in liquid crystals

    NASA Astrophysics Data System (ADS)

    Mohd Said, Suhana; Nordin, Abdul Rahman; Abdullah, Norbani; Balamurugan, S.

    2015-09-01

    The thermoelectric effect, also known as the Seebeck effect, describes the conversion of a temperature gradient into electricity. A Figure of Merit (ZT) is used to describe the thermoelectric ability of a material. It is directly dependent on its Seebeck coefficient and electrical conductivity, and inversely dependent on its thermal conductivity. There is usually a compromise between these parameters, which limit the performance of thermoelectric materials. The current achievement for ZT~2.2 falls short of the expected threshold of ZT=3 to allow its viability in commercial applications. In recent times, advances in organic thermoelectrics been significant, improving by over 3 orders of magnitude over a period of about 10 years. Liquid crystals are newly investigated as candidate thermoelectric materials, given their low thermal conductivity, inherent ordering, and in some cases, reasonable electrical conductivity. In this work the thermoelectric behaviour of a discotic liquid crystal, is discussed. The DLC was filled into cells coated with a charge injector, and an alignment of the columnar axis perpendicular to the substrate was allowed to form. This thermoelectric behavior can be correlated to the order-disorder transition. A reasonable thermoelectric power in the liquid crystal temperature regime was noted. In summary, thermoelectric liquid crystals may have the potential to be utilised in flexible devices, as a standalone power source.

  3. Crystal Ball Replica

    NASA Astrophysics Data System (ADS)

    Ajamian, John

    2016-09-01

    The A2 collaboration of the Institute for Nuclear Physics of Johannes Gutenberg University performs research on (multiple) meson photoproduction and nucleon structure and dynamics using a high energy polarized photon beam at specific targets. Particles scattered from the target are detected in the Crystal Ball, or CB. The CB is composed of 672 NaI crystals that surround the target and can analyze particle type and energy of ejected particles. Our project was to create a replica of the CB that could display what was happening in real time on a 3 Dimensional scale replica. Our replica was constructed to help explain the physics to the general public, be used as a tool when calibrating each of the 672 NaI crystals, and to better analyze the electron showering of particles coming from the target. This poster will focus on the hardware steps necessary to construct the replica and wire the 672 programmable LEDS in such a way that they can be mapped to correspond to the Crystal Ball elements. George Washington NSF Grant.

  4. Protein Crystal Bovine Insulin

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The comparison of protein crystal, Bovine Insulin space-grown (left) and earth-grown (right). Facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  5. DIFFRACTION FROM MODEL CRYSTALS

    USDA-ARS?s Scientific Manuscript database

    Although calculating X-ray diffraction patterns from atomic coordinates of a crystal structure is a widely available capability, calculation from non-periodic arrays of atoms has not been widely applied to cellulose. Non-periodic arrays result from modeling studies that, even though started with at...

  6. Protein Crystal Bovine Insulin

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The comparison of protein crystal, Bovine Insulin space-grown (left) and earth-grown (right). Facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  7. Pyrrolidinium ionic liquid crystals.

    PubMed

    Goossens, Karel; Lava, Kathleen; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Driesen, Kris; Görller-Walrand, Christiane; Binnemans, Koen; Cardinaels, Thomas

    2009-01-01

    N-alkyl-N-methylpyrrolidinium cations have been used for the design of ionic liquid crystals, including a new type of uranium-containing metallomesogen. Pyrrolidinium salts with bromide, bis(trifluoromethylsulfonyl)imide, tetrafluoroborate, hexafluorophosphate, thiocyanate, tetrakis(2- thenoyltrifluoroacetonato)europate(III) and tetrabromouranyl counteranions were prepared. For the bromide salts and tetrabromouranyl compounds, the chain length of the alkyl group C(n)H(2n+1) was varied from eight to twenty carbon atoms (n = 8, 10-20). The compounds show rich mesomorphic behaviour: highly ordered smectic phases (the crystal smectic E phase and the uncommon crystal smectic T phase), smectic A phases, and hexagonal columnar phases were observed, depending on chain length and anion. This work gives better insight into the nature and formation of the crystal smectic T phase, and the molecular requirements for the appearance of this highly ordered phase. This uncommon tetragonal mesophase is thoroughly discussed on the basis of detailed powder X-ray diffraction experiments and in relation to the existing literature. Structural models are proposed for self-assembly of the molecules within the smectic layers. In addition, the photophysical properties of the compounds containing a metal complex anion were investigated. For the uranium-containing mesogens, luminescence can be induced by dissolving them in an ionic liquid matrix. The europium-containing compound shows intense red photoluminescence with high colour purity.

  8. Ice Crystal Cloud Research

    NASA Image and Video Library

    2016-07-11

    NASA Glenn’s Propulsion Systems Lab (PSL) is conducting research to characterize ice crystal clouds that can create a hazard to aircraft engines under certain conditions. The isokinetic probe (in gold) samples particles and another series of probes can measure everything from humidity to air pressure.

  9. Ferroelectric liquid crystal display

    NASA Technical Reports Server (NTRS)

    York, Paul K. (Inventor)

    1977-01-01

    A ferroelectric liquid crystal display device employs capacitance spoiling layers to minimize unneeded capacitances created by crossovers of X and Y address lines and to accurately define desired capacitances. The spoiler layers comprise low dielectric constant layers which space electrodes from the ferroelectric at crossover points where capacitance is not needed for device operation.

  10. Laser schlieren crystal monitor

    NASA Technical Reports Server (NTRS)

    Owen, Robert B. (Inventor); Johnston, Mary H. (Inventor)

    1987-01-01

    A system and method for monitoring the state of a crystal which is suspended in a solution is described which includes providing a light source for emitting a beam of light along an optical axis. A collimating lens is arranged along the optical axis for collimating the emitted beam to provide a first collimated light beam consisting of parallel light rays. By passing the first collimated light beam through a transparent container, a number of the parallel light rays are deflected off the surfaces of said crystal being monitored according to the refractive index gradient to provide a deflected beam of deflected light rays. A focusing lens is arranged along optical axis for focusing the deflected rays towards a desired focal point. A knife edge is arranged in a predetermined orientation at the focal point; and a screen is provided. A portion of the deflected beam is blocked with the knife edge to project only a portion of the deflected beam. A band is created at one edge of the image of the crystal which indicates the state of change of the surface of the crystal being monitored.

  11. Computer-assisted Crystallization.

    ERIC Educational Resources Information Center

    Semeister, Joseph J., Jr.; Dowden, Edward

    1989-01-01

    To avoid a tedious task for recording temperature, a computer was used for calculating the heat of crystallization for the compound sodium thiosulfate. Described are the computer-interfacing procedures. Provides pictures of laboratory equipment and typical graphs from experiments. (YP)

  12. The Crystal Set

    ERIC Educational Resources Information Center

    Greenslade, Thomas B., Jr.

    2014-01-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought…

  13. Poet Lake Crystal Approval

    EPA Pesticide Factsheets

    This September 19, 2016 letter from EPA approves the petition from Poet Biorefining-Lake Crystal, regarding non-grandfathered ethanol produced through a dry mill process, qualifying under the Clean Air Act for renewable fuel (D-code 6) RINs under the RFS

  14. Point defects in langatate crystals

    SciTech Connect

    Kuz'micheva, G. M.; Zaharko, O.; Tyunina, E. A.; Rybakov, V. B.; Kaurova, I. A.; Domoroshchina, E. N.; Dubovsky, A. B.

    2009-03-15

    Langatate crystals of the general composition La{sub 3}(Ga{sub 0.5}Ta{sub 0.5})Ga{sub 5}O{sub 14}, grown by the Czochralski method, have been investigated by neutron diffraction (single crystals) and X-ray diffraction (ground single crystals). The crystals were grown in an atmosphere of 99% Ar + 1% O{sub 2} in the Y54{sup o} direction (rotation by 54{sup o} with respect to the y axis), without subsequent annealing (orange crystal) or with vacuum annealing (colorless crystal). It is established that colorless crystals have a higher gallium content and, therefore, a larger number of oxygen vacancies in comparison with colored crystals; this is a possible reason for their lower microhardness.

  15. Controlling Chirality of Entropic Crystals.

    PubMed

    Damasceno, Pablo F; Karas, Andrew S; Schultz, Benjamin A; Engel, Michael; Glotzer, Sharon C

    2015-10-09

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams.

  16. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Bugg, Charles E.

    1991-01-01

    Studies of protein crystal growth in the microgravity environment in space are described with special attention given to the crystal growth facilities and the techniques used in Space Shuttle experiments. The properties of large space-grown crystals of gamma interferon, elastase, lathyros ochrus lectin I, and few other proteins grown on various STS flights are described. A comparison of the microgravity-grown crystals with the bast earth-grown crystals demonstrated that the space-grown crystals are more highly ordered at the molecular level than their earth-grown counterparts. When crystallization conditions were optimized, the microgravity-grown protein crystals were larger, displayed more uniform morphologies, and yielded diffraction data to significantly higher resolution than their earth-grown counterparts.

  17. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Rosenblum, William M.; Delucas, Lawrence J.; Wilson, William W.

    1989-01-01

    Major advances have been made in several of the experimental aspects of protein crystallography, leaving protein crystallization as one of the few remaining bottlenecks. As a result, it has become important that the science of protein crystal growth is better understood and that improved methods for protein crystallization are developed. Preliminary experiments with both small molecules and proteins indicate that microgravity may beneficially affect crystal growth. For this reason, a series of protein crystal growth experiments using the Space Shuttle was initiated. The preliminary space experiments were used to evolve prototype hardware that will form the basis for a more advanced system that can be used to evaluate effects of gravity on protein crystal growth. Various optical techniques are being utilized to monitor the crystal growth process from the incipient or nucleation stage and throughout the growth phase. The eventual goal of these studies is to develop a system which utilizes optical monitoring for dynamic control of the crystallization process.

  18. Dichroism in Helicoidal Crystals.

    PubMed

    Cui, Xiaoyan; Nichols, Shane M; Arteaga, Oriol; Freudenthal, John; Paula, Froilanny; Shtukenberg, Alexander G; Kahr, Bart

    2016-09-21

    Accounting for the interactions of light with heterogeneous, anisotropic, absorbing, optically active media is part of the characterization of complex, transparent materials. Stained biological structures in thin tissue sections share many of these features, but systematic optical analyses beyond the employ of the simple petrographic microscopes have not be established. Here, this accounting is made for polycrystalline, spherulitic bundles of twisted d-mannitol lamellae grown from melts containing light-absorbing molecules. It has long been known that a significant percentage of molecular crystals readily grow as helicoidal ribbons with mesoscale pitches, but a general appreciation of the commonality of these non-classical crystal forms has been lost. Helicoidal crystal twisting was typically assayed by analyzing refractivity modulation in the petrographic microscope. However, by growing twisted crystals from melts in the presence of dissolved, light-absorbing molecules, crystal twisting can be assayed by analyzing the dichroism, both linear and circular. The term "helicoidal dichroism" is used here to describe the optical consequences of anisotropic absorbers precessing around radii of twisted crystalline fibrils or lamellae. d-Mannitol twists in two polymorphic forms, α and δ. The two polymorphs, when grown from supercooled melts in the presence of a variety of histochemical stains and textile dyes, are strongly dichroic in linearly polarized white light. The bis-azo dye Chicago sky blue is modeled because it is most absorbing when parallel and perpendicular to the radial axes in the respective spherulitic polymorphs. Optical properties were measured using Mueller matrix imaging polarimetry and simulated by taking into account the microstructure of the lamellae. The optical analysis of the dyed, patterned polycrystals clarifies aspects of the mesostructure that can be difficult to extract from bundles of tightly packed fibrils.

  19. Studies of Cubic Ice Crystals

    DTIC Science & Technology

    1989-12-11

    the nitrate ion concentration in the ice. We hypothesize that Br- was oxidized to bromine (Br2), hypobromous acid (HOBr), or bromic acid (HBr03). The...Crystals grown from solutions of ammonium carbonate at -16°C 35 10 Crystals grown from solutions of sulfuric acid at -16°C 36 11 Ice crystal aspect ratios...elaborate crystals. When we compare this with the results of Workman and Reynolds for acid solutions, which all yielded negligible freezing potentials, we

  20. A Few Good Crystals Please

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Snell, Edward H.

    1999-01-01

    Part of the challenge of macromolecular crystal growth for structure determination is obtaining an appropriate number of crystals with a crystal volume suitable for X-ray analysis. In this respect an understanding of the effect of solution conditions on macromolecule nucleation rates is advantageous. This study investigated the effects of solution conditions on the nucleation rate and final crystal size of two crystal systems; tetragonal lysozyme and glucose isomerase. Batch crystallization plates were prepared at given solution concentration and incubated at set temperatures over one week. The number of crystals per well with their size and axial ratios were recorded and correlated with solution conditions. Duplicate experiments indicate the reproducibility of the technique. Results for each system showing the effect of supersaturation, incubation temperature and solution pH on nucleation rates will be presented and discussed. In the case of lysozyme, having optimized solution conditions to produce an appropriate number of crystals of a suitable size, a batch of crystals were prepared under exactly the same conditions. Fifty of these crystals were analyzed by x-ray techniques. The results indicate that even under the same crystallization conditions, a marked variation in crystal properties exists.

  1. Chiral Crystallization of Ethylenediamine Sulfate

    ERIC Educational Resources Information Center

    Koby, Lawrence; Ningappa, Jyothi B.; Dakesssian, Maria; Cuccia, Louis A.

    2005-01-01

    The optimal conditions for the crystallization of achiral ethylenediamine sulfate into large chiral crystals that are ideal for polarimetry studies and observation using Polaroid sheets are presented. This experiment is an ideal undergraduate experiment, which clearly demonstrates the chiral crystallization of an achiral molecule.

  2. Chiral Crystallization of Ethylenediamine Sulfate

    ERIC Educational Resources Information Center

    Koby, Lawrence; Ningappa, Jyothi B.; Dakesssian, Maria; Cuccia, Louis A.

    2005-01-01

    The optimal conditions for the crystallization of achiral ethylenediamine sulfate into large chiral crystals that are ideal for polarimetry studies and observation using Polaroid sheets are presented. This experiment is an ideal undergraduate experiment, which clearly demonstrates the chiral crystallization of an achiral molecule.

  3. Direct flow crystal growth system

    SciTech Connect

    Montgomery, K.E.; Milanovich, F.P.

    1989-10-30

    A crystal is grown in a constantly filtered solution which is flowed directly into the growing face of a crystal. In a continuous flow system, solution at its saturation temperature is removed from a crystal growth tank, heated above its saturation temperatue, filtered, cooled back to its saturation temperature, and returned to the tank. 2 figs.

  4. Physical vapor transport crystal growth

    NASA Technical Reports Server (NTRS)

    Yoel, Dave W.; Anderson, Elmer; Wu, Maw-Kuen; Cheng, H. Y.

    1987-01-01

    The goals of this research are two-fold: to study effective means of growing ZnSe crystals of good optical quality and to determine the advantages of growing such crystals in microgravity. As of this date the optimal conditions for crystal growth have not been determined. However, successful growth runs were made in two furnances and the results are given.

  5. Surface properties of HMX crystal

    NASA Technical Reports Server (NTRS)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  6. Growing Crystals for Infrared Detectors

    NASA Technical Reports Server (NTRS)

    Lehoczky, S. L.; Szofran, F. R.

    1984-01-01

    Unidirectional solidification yields bulk crystals with compositional homogeneity. Unidirectionaly crystal-growth furnace assembly travels vertically so crystal grows upward from bottom tapered end of ampoule. Separately controlled furnaces used for hot (upper) and cold (lower) zones. New process produces ingots with radial compositional homogeneity suitable for fabricating infrared detectors.

  7. Direct flow crystal growth system

    DOEpatents

    Montgomery, Kenneth E.; Milanovich, Fred P.

    1992-01-01

    A crystal is grown in a constantly filtered solution which is flowed directly into the growing face of a crystal. In a continuous flow system, solution at its saturation temperature is removed from a crystal growth tank, heated above its saturation temperature, filtered, cooled back to its saturation temperature, and returned to the tank.

  8. A Few Good Crystals Please

    NASA Technical Reports Server (NTRS)

    Judge, Russell A.; Snell, Edward H.

    1999-01-01

    Part of the challenge of macromolecular crystal growth for structure determination is obtaining an appropriate number of crystals with a crystal volume suitable for X-ray analysis. In this respect an understanding of the effect of solution conditions on macromolecule nucleation rates is advantageous. This study investigated the effects of solution conditions on the nucleation rate and final crystal size of two crystal systems; tetragonal lysozyme and glucose isomerase. Batch crystallization plates were prepared at given solution concentration and incubated at set temperatures over one week. The number of crystals per well with their size and axial ratios were recorded and correlated with solution conditions. Duplicate experiments indicate the reproducibility of the technique. Results for each system showing the effect of supersaturation, incubation temperature and solution pH on nucleation rates will be presented and discussed. In the case of lysozyme, having optimized solution conditions to produce an appropriate number of crystals of a suitable size, a batch of crystals were prepared under exactly the same conditions. Fifty of these crystals were analyzed by x-ray techniques. The results indicate that even under the same crystallization conditions, a marked variation in crystal properties exists.

  9. Small Business Innovations (Crystal Components)

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Scientific Materials Corporation, Bozeman, MT developed the SciMax line of improved Nd:Yag crystals under an Small Business Innovation Research (SBIR) contract with Langley Research Center. They reduced the amount of water trapped in the crystals during growth to improve the optical quality and efficiency. Applications of the crystals include fiber optics, telecommunications, welding, drilling, eye surgery and medical instrumentation.

  10. Crystal Engineering of Hand-Twisted Helical Crystals.

    PubMed

    Saha, Subhankar; Desiraju, Gautam R

    2017-02-08

    A strategy is outlined for the design of hand-twisted helical crystals. The starting point in the exercise is the one-dimensional (1D) plastic crystal, 1,4-dibromobenzene, which is then changed to a 1D elastic crystal, exemplified by 4-bromophenyl 4'-chlorobenzoate, by introduction of a molecular synthon -O-CO- in lieu of the supramolecular synthon Br···Br in the precursor. The 1D elastic crystals are next modified to two-dimensional (2D) elastic crystals, of the type 4-bromophenyl 4'-nitrobenzoate where the halogen bonding and C-H···O hydrogen bonding are well-matched. Finally, varying the interaction strengths in these 2D elastic crystals gives plastic crystals with two pairs of bendable faces but without slip planes. Typical examples are 4-chlorophenyl and 4-bromophenyl 4'-nitrobenzoate. This type of 2D plasticity represents a new type of bendable crystals in which plastic behavior is seen with a fair degree of isotropic character in the crystal packing. The presence of two sets of bendable faces, generally orthogonal to each other, allows for the possibility of hand-twisting of the crystals to give grossly helical morphologies. Accordingly, we propose the name hand-twisted helical crystals for these substances.

  11. Improving the Quality of Protein Crystals Using Stirring Crystallization

    NASA Astrophysics Data System (ADS)

    Adachi, Hiroaki; Matsumura, Hiroyoshi; Niino, Ai; Takano, Kazufumi; Kinoshita, Takayoshi; Warizaya, Masaichi; Inoue, Tsuyoshi; Mori, Yusuke; Sasaki, Takatomo

    2004-04-01

    Recent reports state that a high magnetic field improves the crystal quality of bovine adenosine deaminase (ADA) with an inhibitor [Kinoshita et al.: Acta Cryst. D59 (2003) 1333]. In this paper, we examine the effect of stirring solution on ADA crystallization using a vapor-diffusion technique with rotary and figure-eight motion shakers. The probability of obtaining high-quality crystals is increased with stirring in a figure-eight pattern. Furthermore, rotary stirring greatly increased the probability of obtaining high-quality crystals, however, nucleation time was also increased. The crystal structure with the inhibitor was determined at a high resolution using a crystal obtained from a stirred solution. These results indicate that stirring with simple equipment is as useful as the high magnetic field technique for protein crystallization.

  12. Laser alexandrite crystals grown by horizontal oriented crystallization technique

    NASA Astrophysics Data System (ADS)

    Gurov, V. V.; Tsvetkov, E. G.; Yurkin, A. M.

    2008-05-01

    Comparative studies were performed for alexandrite crystals, Al 2BeO 4:Cr 3+, employed in solid state lasers and grown by the horizontal oriented crystallization (HOC) technique and alexandrite crystals grown by the Czochralski (Cz) method. It was shown that the structural quality and possibilities of generation of stimulated emission HOC-crystals are similar to Cz-crystals, whereas their damage threshold is about three times higher. The obtained results and considerably lower cost price of HOC-alexandrite crystals prove their advantageous application in powerful laser systems, which require large laser rods with a higher resistance to laser beam. It is emphasized that application of HOC technique is promising for growth of laser crystals of other high-temperature oxide compounds.

  13. Extreme Nonlinear Optics With Liquid Crystals

    DTIC Science & Technology

    2006-10-31

    Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic crystals,” Mol. Cryst. Liq. Cryst. 446: 233...Mallouk, “ Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic crystals,” Mol. Cryst. Liq. Cryst...Williams, B. Lewis and T. Mallouk, “Photorefractive CdSe and gold nanowire -doped liquid crystals and polymer-dispersed-liquid-crystal photonic

  14. Crystallization-induced properties from morphology-controlled organic crystals.

    PubMed

    Park, Chibeom; Park, Ji Eun; Choi, Hee Cheul

    2014-08-19

    During the past two decades, many materials chemists have focused on the development of organic molecules that can serve as the basis of cost-effective and flexible electronic, optical, and energy conversion devices. Among the potential candidate molecules, metal-free or metal-containing conjugated organic molecules offer high-order electronic conjugation levels that can directly support fast charge carrier transport, rapid optoelectric responses, and reliable exciton manipulation. Early studies of these molecules focused on the design and synthesis of organic unit molecules that exhibit active electrical and optical properties when produced in the form of thin film devices. Since then, researchers have worked to enhance the properties upon crystallization of the unit molecules as single crystals provide higher carrier mobilities and exciton recombination yields. Most recently, researchers have conducted in-depth studies to understand how crystallization induces property changes, especially those that depend on specific crystal surfaces. The different properties that depend on the crystal facets have been of particular interest. Most unit molecules have anisotropic structures, and therefore produce crystals with several unique crystal facets with dissimilar molecular arrangements. These structural differences would also lead to diverse electrical conductance, optical absorption/emission, and even chemical interaction properties depending on the crystal facet investigated. To study the effects of crystallization and crystal facet-dependent property changes, researchers must grow or synthesize crystals of highly conjugated molecules that have both a variety of morphologies and high crystallinity. Morphologically well-defined organic crystals, that form structures such as wires, rods, disks, and cubes, provide objects that researchers can use to evaluate these material properties. Such structures typically occur as single crystals with well-developed facets with

  15. Protein Crystals Grown in Space

    NASA Technical Reports Server (NTRS)

    2000-01-01

    A collage of protein and virus crystals, many of which were grown on the U.S. Space Shuttle or Russian Space Station, Mir. The crystals include the proteins canavalin; mouse monoclonal antibody; a sweet protein, thaumatin; and a fungal protease. Viruses are represented here by crystals of turnip yellow mosaic virus and satellite tobacco mosaic virus. The crystals are photographed under polarized light (thus causing the colors) and range in size from a few hundred microns in edge length up to more than a millimeter. All the crystals are grown from aqueous solutions and are useful for X-ray diffraction analysis. Credit: Dr. Alex McPherson, University of California, Irvine.

  16. Plenum type crystal growth chamber

    SciTech Connect

    Montgomery, K.E.

    1990-12-31

    Crystals are grown in a tank which is divided by a baffle into a crystal growth region above the baffle and a plenum region below the baffle. A turbine blade or stirring wheel is positioned in a turbine tube which extends through the baffle to generate a flow of solution from the crystal growing region to the plenum region. The solution is pressurized as it flows into the plenum region. The pressurized solution flows back to the crystal growing region through return flow tubes extending through the baffle. Growing crystals are positioned near the ends of the return flow tubes to receive a direct flow of solution.

  17. Plenum type crystal growth process

    DOEpatents

    Montgomery, Kenneth E.

    1992-01-01

    Crystals are grown in a tank which is divided by a baffle into a crystal growth region above the baffle and a plenum region below the baffle. A turbine blade or stirring wheel is positioned in a turbine tube which extends through the baffle to generate a flow of solution from the crystal growing region to the plenum region. The solution is pressurized as it flows into the plenum region. The pressurized solution flows back to the crystal growing region through return flow tubes extending through the baffle. Growing crystals are positioned near the ends of the return flow tubes to receive a direct flow of solution.

  18. Surrogate Seeds For Growth Of Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.

    1989-01-01

    Larger crystals of higher quality grown. Alternative method for starting growth of crystal involves use of seed crystal of different material instead of same material as solution. Intended for growing single-crystal proteins for experiments but applicable in general to growth of crystals from solutions and to growth of semiconductor or other crystals from melts.

  19. Surrogate Seeds For Growth Of Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.

    1989-01-01

    Larger crystals of higher quality grown. Alternative method for starting growth of crystal involves use of seed crystal of different material instead of same material as solution. Intended for growing single-crystal proteins for experiments but applicable in general to growth of crystals from solutions and to growth of semiconductor or other crystals from melts.

  20. Twisted aspirin crystals.

    PubMed

    Cui, Xiaoyan; Rohl, Andrew L; Shtukenberg, Alexander; Kahr, Bart

    2013-03-06

    Banded spherulites of aspirin have been crystallized from the melt in the presence of salicylic acid either generated from aspirin decomposition or added deliberately (2.6-35.9 mol %). Scanning electron microscopy, X-ray diffraction analysis, and optical polarimetry show that the spherulites are composed of helicoidal crystallites twisted along the <010> growth directions. Mueller matrix imaging reveals radial oscillations in not only linear birefringence, but also circular birefringence, whose origin is explained through slight (∼1.3°) but systematic splaying of individual lamellae in the film. Strain associated with the replacement of aspirin molecules by salicylic acid molecules in the crystal structure is computed to be large enough to work as the driving force for the twisting of crystallites.

  1. Macromolecular crystal growing system

    NASA Technical Reports Server (NTRS)

    Snyder, Robert S. (Inventor); Herren, Blair J. (Inventor); Carter, Daniel C. (Inventor); Yost, Vaughn H. (Inventor); Bugg, Charles E. (Inventor); Delucas, Lawrence J. (Inventor); Suddath, Fred L. (Inventor)

    1991-01-01

    A macromolecular crystal growing system especially designed for growing crystals in the low gravity of space as well as the gravity of earth includes at least one tray assembly, a carrier assembly which receives the tray, and a refrigeration-incubation module in which the carrier assembly is received. The tray assembly includes a plurality of sealed chambers with a plastic syringe and a plug means for the double tip of the syringe provided therein. Ganging mechanisms operate the syringes and plugs simultaneously in a precise and smooth operation. Preferably, the tray assemblies are mounted on ball bearing slides for smooth operation in inserting and removing the tray assemblies into the carrier assembly. The plugging mechanism also includes a loading control mechanism. A mechanism for leaving a syringe unplugged is also provided.

  2. CRYSTAL/FACE

    NASA Technical Reports Server (NTRS)

    Baumgardner, Darrel; Kok, Greg; Anderson, Bruce

    2004-01-01

    Droplet Measurement Technologies (DMT), under funding from NASA, participated in the CRYSTAL/FACE field campaign in July, 2002 with measurements of cirrus cloud hydrometeors in the size range from 0.5 to 1600 microns. The measurements were made with the DMT Cloud, Aerosol and Precipitation Spectrometer (CAPS) that was flown on NASA's WB57F. With the exception of the first research flight when the data system failed two hours into the mission, the measurement system performed almost flawlessly during the thirteen flights. The measurements from the CAPS have been essential for interpretation of cirrus cloud properties and their impact on climate. The CAPS data set has been used extensively by the CRYSTAL/FACE investigators and as of the date of this report, have been included in five published research articles, 10 conference presentations and six other journal articles currently in preparation.

  3. Liquid crystals in tribology.

    PubMed

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-09-18

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered.

  4. CRYSTAL/FACE

    NASA Technical Reports Server (NTRS)

    Baumgardner, Darrel; Kok, Greg; Anderson, Bruce

    2004-01-01

    Droplet Measurement Technologies (DMT), under funding from NASA, participated in the CRYSTAL/FACE field campaign in July, 2002 with measurements of cirrus cloud hydrometeors in the size range from 0.5 to 1600 microns. The measurements were made with the DMT Cloud, Aerosol and Precipitation Spectrometer (CAPS) that was flown on NASA's WB57F. With the exception of the first research flight when the data system failed two hours into the mission, the measurement system performed almost flawlessly during the thirteen flights. The measurements from the CAPS have been essential for interpretation of cirrus cloud properties and their impact on climate. The CAPS data set has been used extensively by the CRYSTAL/FACE investigators and as of the date of this report, have been included in five published research articles, 10 conference presentations and six other journal articles currently in preparation.

  5. Diamond drumhead crystals (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Kolodziej, Tomasz; Vodnala, Preeti; Terentyev, Sergey A.; Blank, Vladimir D.; Shvyd'ko, Yuri V.

    2016-09-01

    Ultra-thin (< 100 um) diamond single crystals are essential for the realization of numerous next generation x-ray optical devices. Fabrication and handling of such ultra-thin crystal components without introducing damage and strain is a challenge. Drumhead crystals, monolithic crystal structures comprised of a thin membrane furnished with a surrounding solid collar would be a solution for the proper handling ensuring mechanically stable and strain-free mount of the membranes with efficient thermal transport. However, diamond being one of the hardest and chemically inert materials poses insurmountable difficulties in the fabrication. Here we report on a successful manufacturing of the diamond drumhead crystals using picosecond laser milling. Subsequent temperature treatment appears to be crucial for the membranes to become defect-free and unstrained, as revealed by x-ray double-crystal topography on an example of drumhead crystals with 1-mm in diameter and 28 um to 47 um-thick membranes in the (100) orientation.

  6. Crystallization of human nicotinamide phosphoribosyltransferase

    SciTech Connect

    Takahashi, Ryo; Nakamura, Shota; Yoshida, Takuya; Kobayashi, Yuji; Ohkubo, Tadayasu

    2007-05-01

    Human nicotinamide phosphoribosyltransferase has been crystallized using microseeding methods and X-ray diffraction data have been collected at 2.0 Å resolution. In the NAD biosynthetic pathway, nicotinamide phosphoribosyltransferase (NMPRTase; EC 2.4.2.12) plays an important role in catalyzing the synthesis of nicotinamide mononucleotide from nicotinamide and 5′-phosphoribosyl-1′-pyrophosphate. Because the diffraction pattern of the initally obtained crystals was not suitable for structure analysis, the crystal quality was improved by successive use of the microseeding technique. The resultant crystals diffracted to 2.0 Å resolution. These crystals belonged to space group P21, with unit-cell parameters a = 60.56, b = 106.40, c = 82.78 Å. Here, the crystallization of human NMPRTase is reported in the free form; the crystals should be useful for inhibitor-soaking experiments on the enzyme.

  7. Modern trends in technical crystallization

    NASA Astrophysics Data System (ADS)

    Matz, G.

    1980-04-01

    Interesting and significant developments have occurred in the last decade in both crystallization equipment and in the theory of crystallization process. In the field of technical crystallization new crystallizers have been developed and computer modelling has become important in scaling up and in the achievement of increased performance. The DP-Kristaller developed by Escher-Wyss-Tsukishima, the Brodie purifier, the sieve tray column having dancing balls, the automated multiple crystallization process due to Mützenberg and Saxer and the double belt cooler, all of which represent technical developments, are described in the first section. The second part of the paper reviews computer modelling of the fluidized bed crystallizer, chemical precipitation, flaking and prilling. Finally, there is a brief discussion of the impact of technical crystallization processes on environmental protection.

  8. High density protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rouleau, Robyn (Inventor); Delucas, Lawrence (Inventor); Hedden, Douglas Keith (Inventor)

    2004-01-01

    A protein crystal growth assembly including a crystal growth cell and further including a cell body having a top side and a bottom side and a first aperture defined therethrough, the cell body having opposing first and second sides and a second aperture defined therethrough. A cell barrel is disposed within the cell body, the cell barrel defining a cavity alignable with the first aperture of the cell body, the cell barrel being rotatable within the second aperture. A reservoir is coupled to the bottom side of the cell body and a cap having a top side is disposed on the top side of the cell body. The protein crystal growth assembly may be employed in methods including vapor diffusion crystallization, liquid to liquid crystallization, batch crystallization, and temperature induction batch mode crystallization.

  9. Nematic liquid crystal bridges

    NASA Astrophysics Data System (ADS)

    Doss, Susannah; Ellis, Perry; Vallamkondu, Jayalakshmi; Danemiller, Edward; Vernon, Mark; Fernandez-Nieves, Alberto

    We study the effects of confining a nematic liquid crystal between two parallel glass plates with homeotropic boundary conditions for the director at all bounding surfaces. We find that the free surface of the nematic bridge is a surface of constant mean curvature. In addition, by changing the distance between the plates and the contact angle with the glass plates, we transition between loops and hedgehogs that can be either radial or hyperbolic.

  10. The Crystal Set

    NASA Astrophysics Data System (ADS)

    Greenslade, Thomas B.

    2014-04-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought I knew, but actually did not.

  11. Slotted photonic crystal biosensors

    NASA Astrophysics Data System (ADS)

    Scullion, Mark Gerard

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them result in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This thesis presents a new platform for optical biosensors, namely slotted photonic crystals, which engender higher sensitivities due to their ability to confine, spatially and temporally, the peak of optical mode within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. High sensitivities were observed in smaller structures than most competing devices in the literature. Initial tests with cellular material for real applications was also performed, and shown to be of promise. In addition, groundwork to make an integrated device that includes the spectrometer function was also carried out showing that slotted photonic crystals themselves can be used for on-chip wavelength specific filtering and spectroscopy, whilst gas-free microvalves for automation were also developed. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study.

  12. Protein Crystal Isocitrate Lyase

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The comparison of protein crystal, Isocitrate Lyase earth-grown (left) and space-grown (right). This is a target enzyme for fungicides. A better understanding of this enzyme should lead to the discovery of more potent fungicides to treat serious crop diseases such as rice blast; it regulates the flow of metabolic intermediates required for cell growth. Principal Investigator is Larry DeLucas.

  13. Path to protein crystallization

    SciTech Connect

    2010-01-01

    Growth of two-dimensional S-layer crystals on supported lipid bilayers observed in solution using in situ atomic force microscopy. This movie shows proteins sticking onto the supported lipid bilayer, forming a mobile phase that condenses into amorphous clusters, and undergoing a phase transition to crystalline clusters composed of 2 to 15 tetramers. These initial clusters then enter a growth phase in which new tetramers form exclusively at unoccupied lattice sites along the cluster edges.

  14. Tactical Miniature Crystal Oscillator.

    DTIC Science & Technology

    1981-04-01

    87 6.2 Outgassing experiments o......... 88 6.3 Electropolishing ......... 95 6.4 Leaks in the TMXO package...machinable and sealing properties. After considering the thermal and mech- anical characteristics of many materials, nickel was selected. Table 7 gives...and the nickel type used in this program. TABLE 7. CHARACTERISTICS OF CRYSTAL ENCLOSURES Old copper Alumina* Nickel enclosures enclosures enclosure

  15. Quartz Crystal Microbalance Data

    SciTech Connect

    Baxamusa, S H

    2011-11-16

    We are using a Qpod quartz crystal microbalance (manufactured by Inficon) for use as a low-volume non-volatile residue analysis tool. Inficon has agreed to help troubleshoot some of our measurements and are requesting to view some sample data, which are attached. The basic principle of an NVR analysis is to evaporate a known volume of solvent, and weigh the remaining residue to determine the purity of the solvent. A typical NVR analysis uses 60 g of solvent and can measure residue with an accuracy of +/- 0.01 mg. The detection limit is thus (0.01 mg)/(60 g) = 0.17 ppm. We are attempting to use a quartz crystal microbalance (QCM) to make a similar measurement. The attached data show the response of the QCM as a 5-20 mg drop of solvent evaporates on its surface. The change in mass registered by the QCM after the drop evaporates is the residue that deposits on the crystal. On some measurements, the change in mass in less than zero, which is aphysical since the drop will leave behind {>=}0 mass of residue. The vendor, Inficon, has agreed to look at these data as a means to help troubleshoot the cause.

  16. Cholesterol crystal embolism (atheroembolism)

    PubMed Central

    VENTURELLI, CHIARA; JEANNIN, GUIDO; SOTTINI, LAURA; DALLERA, NADIA; SCOLARI, FRANCESCO

    2006-01-01

    Cholesterol crystal embolism, known as atheroembolic disease, is caused by showers of cholesterol crystals from an atherosclerotic plaque that occludes small arteries. Embolization can occur spontaneously or as an iatrogenic complication from an invasive vascular procedure (angiography or vascular surgery) and after anticoagulant therapy. The atheroembolism can give rise to different degrees of renal impairment. Some patients show a moderate loss of renal function, others severe renal failure requiring dialysis. Renal outcome can be variable: some patients deteriorate or remain on dialysis, some improve and some remain with chronic renal impairment. Clinically, three types of atheroembolic renal disease have been described: acute, subacute or chronic. More frequently a progressive loss of renal function occurs over weeks. Atheroembolization can involve the skin, gastrointestinal system and central nervous system. The diagnosis is difficult and controversial for the protean extrarenal manifestations. In the past, the diagnosis was often made post-mortem. In the last 10 yrs, awareness of atheroembolic renal disease has improved. The correct diagnosis requires the clinician to be alert. The typical patient is a white male aged >60 yrs with a history of hypertension, smoking and arterial disease. The presence of a classic triad (precipitating event, renal failure and peripheral cholesterol crystal embolization) suggests the diagnosis. This can be confirmed by a biopsy of the target organs. A specific treatment is lacking; however, it is an important diagnosis to make because an aggressive therapeutic approach can be associated with a more favorable clinical outcome. PMID:21977265

  17. Cholesterol crystal embolism (atheroembolism).

    PubMed

    Venturelli, Chiara; Jeannin, Guido; Sottini, Laura; Dallera, Nadia; Scolari, Francesco

    2006-01-01

    Cholesterol crystal embolism, known as atheroembolic disease, is caused by showers of cholesterol crystals from an atherosclerotic plaque that occludes small arteries. Embolization can occur spontaneously or as an iatrogenic complication from an invasive vascular procedure (angiography or vascular surgery) and after anticoagulant therapy. The atheroembolism can give rise to different degrees of renal impairment. Some patients show a moderate loss of renal function, others severe renal failure requiring dialysis. Renal outcome can be variable: some patients deteriorate or remain on dialysis, some improve and some remain with chronic renal impairment. Clinically, three types of atheroembolic renal disease have been described: acute, subacute or chronic. More frequently a progressive loss of renal function occurs over weeks. Atheroembolization can involve the skin, gastrointestinal system and central nervous system. The diagnosis is difficult and controversial for the protean extrarenal manifestations. In the past, the diagnosis was often made post-mortem. In the last 10 yrs, awareness of atheroembolic renal disease has improved. The correct diagnosis requires the clinician to be alert. The typical patient is a white male aged >60 yrs with a history of hypertension, smoking and arterial disease. The presence of a classic triad (precipitating event, renal failure and peripheral cholesterol crystal embolization) suggests the diagnosis. This can be confirmed by a biopsy of the target organs. A specific treatment is lacking; however, it is an important diagnosis to make because an aggressive therapeutic approach can be associated with a more favorable clinical outcome.

  18. Quartz crystal fabrication facility

    NASA Astrophysics Data System (ADS)

    Ney, R. J.

    1980-05-01

    The report describes the design and operation of a five chamber, interconnected vacuum system, which is capable of cleaning, plating, and sealing precision quartz crystal units in ceramic flatpack enclosures continuously in a high vacuum environment. The production rate design goal was 200 units per eight hour day. A unique nozzle beam gold deposition source was developed to operate for extended periods of time without reloading. The source puts out a narrow beam of gold typically in the order of 2 1/2 deg included cone angle. Maximum deposition rates are in the order of 400 a/min at 5.5 in. 'throw' distance used. Entrance and exit air lock chambers expedite the material throughput, so that the processing chambers are at high vacuum for extended periods of time. A stainless steel conveyor belt, in conjunction with three vacuum manipulators, transport the resonator components to the various work stations. Individual chambers are normally separated from each other by gate valves. The crystal resonators, mounted in flatpack frames but unplated, are loaded into transport trays in a lid-frame-lid sequency for insertion into the system and exit as completed crystal units. The system utilizes molybdenum coated ball bearings at essentially all friction surfaces. The gold sources and plating mask heads are equipped with elevators and gate valves, so that they can be removed from the system for maintenance without exposing the chambers to atmosphere.

  19. Slotted Photonic Crystal Sensors

    PubMed Central

    Scullion, Mark G.; Krauss, Thomas F.; Di Falco, Andrea

    2013-01-01

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them results in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This review article presents a new platform for optical biosensors, namely slotted photonic crystals, which provide higher sensitivities due to their ability to confine, spatially and temporally, the optical mode peak within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. Higher sensitivities were observed in smaller structures than possible with most competing devices reported in the literature. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study. PMID:23503295

  20. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals

    SciTech Connect

    Tai, C.Y.; Chen, P.C.

    1995-04-01

    Flue gas desulfurization (FGD) processes are most commonly utilized to remove sulfur dioxide from stack gases of coal- or oil-fired plants. In the simple slurry technology, SO{sub 2} is absorbed by a slurry of lime/limestone to form calcium sulfite crystals of acicular habit and its strong agglomeration, requiring large clarifiers and filters to dewater the sludge to make an acceptable landfill. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals from solution were studied by reacting Ca(OH){sub 2} with NaHSO{sub 3} in a pH-stat semibatch crystallizer. Single platelet crystals and agglomerates of platelet crystals were produced in the pH range from 5.80 to 6.80. The crystallization mechanism changed from primary nucleation to crystal growth in the progressive precipitation. Using the titration curves, the growth rate was calculated from the titration rate at the final stage of operation. The crystal growth rates of calcium sulfate hemihydrate crystals were found to obey the parabolic rate law in the low supersaturation range. Another point to be noted is that the precipitates of calcium sulfite hemihydrate in agitated suspensions have a tendency to form agglomerates. It was found that the degree of agglomeration is a weak function of relative supersaturation and magma density, while the pH value is a key factor that affects the degree of agglomeration. Addition of EDTA also has an effect on the agglomeration of calcium sulfite hemihydrates.

  1. Development of artificial seed crystal for crystallization of calcium phosphate.

    PubMed

    Moriyama, K; Kojima, T; Minawa, Y; Matsumoto, S; Nakamachi, K

    2001-11-01

    An artifical seed crystal material consisting of calcium silicate hydrate (5CaO x 6SiO2 x 5H2O : tobermorite crystals) applicable for phosphorus removal by crystallization was developed. Card-house shaped tobermorite crystals were developed on the seed material where orthophosphate crystallized as a calcium phosphate. The seed material can be manufactured by mixing siliceous and calcareous raw materials, pelletizing and subsequent autoclaving. Laboratory experiments were conducted to apply the new developed seed crystal material in the phosphorus recovery from sludge sidestreams of a wastewater treatment plant. In this crystallization process, the performance the carbon dioxide degassingprocess usually carried out when applying crystallization was not necessary, the hydroxyapatite was able to crystallize at a pH of 8.0 to 8.5 without precipitation of calcium carbonates. In the treatment of a sidestream with orthophosphate concentrations of 50 mgl(-1) and COD concentrations between 200 to 400 mgl(-1), phosphorus removal efficiencies ranging from 75 to 85% were observed. The seed crystal material was collected after the laboratory experiments and the chemical estimation and the germination test for agricultural reuse were performed. As a result, it was shown that the hydroxyapatite precipitated on the seed material had a 100% fusibility to soil and had characteristics to be a good nutrient source as a fertilizer for plants.

  2. On dewetting of thin films due to crystallization (crystallization dewetting).

    PubMed

    Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

    2016-03-01

    Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.

  3. Discrete breathers in crystals

    NASA Astrophysics Data System (ADS)

    Dmitriev, S. V.; Korznikova, E. A.; Baimova, Yu A.; Velarde, M. G.

    2016-05-01

    It is well known that periodic discrete defect-containing systems, in addition to traveling waves, support vibrational defect-localized modes. It turned out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Since the nodes of the system are all on equal footing, it is only through the special choice of initial conditions that a group of nodes can be found on which such a mode, called a discrete breather (DB), will be excited. The DB frequency must be outside the frequency range of the small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically conserve its vibrational energy forever provided no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery in them of DBs was only a matter of time. It is well known that periodic discrete defect-containing systems support both traveling waves and vibrational defect-localized modes. It turns out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Because the nodes of the system are all on equal footing, only a special choice of the initial conditions allows selecting a group of nodes on which such a mode, called a discrete breather (DB), can be excited. The DB frequency must be outside the frequency range of small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically preserve its vibrational energy forever if no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery of DBs in them was only a matter of time. Experimental studies of DBs encounter major technical difficulties, leaving atomistic computer simulations as the primary investigation tool. Despite

  4. Crystallization Optimum Solubility Screening: using crystallization results to identify the optimal buffer for protein crystal formation

    SciTech Connect

    Collins, Bernard; Stevens, Raymond C.; Page, Rebecca

    2005-12-01

    It is shown how protein crystallization results can be used to identify buffers that improve protein solubility and, in turn, crystallization success. An optimal solubility screen is described that uses the results of crystallization trials to identify buffers that improve protein solubility and, in turn, crystallization success. This screen is useful not only for standard crystallization experiments, but also can easily be implemented into any high-throughput structure-determination pipeline. As a proof of principle, the predicted novel-fold protein AF2059 from Archaeoglobus fulgidus, which was known to precipitate in most buffers and particularly during concentration experiments, was selected. Using the crystallization results of 192 independent crystallization trials, it was possible to identify a buffer containing 100 mM CHES pH 9.25 that significantly improves its solubility. After transferring AF2059 into this ‘optimum-solubility’ buffer, the protein was rescreened for crystal formation against these same 192 conditions. Instead of extensive precipitation, as observed initially, it was found that 24 separate conditions produced crystals and the exchange of AF2059 into CHES buffer significantly improved crystallization success. Fine-screen optimization of these conditions led to the production of a crystal suitable for high-resolution (2.2 Å) structure determination.

  5. Unifying the crystallization behavior of hexagonal and square crystals with the phase-field-crystal model

    NASA Astrophysics Data System (ADS)

    Tao, Yang; Zheng, Chen; Jing, Zhang; Yongxin, Wang; Yanli, Lu

    2016-03-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 54175378, 51474176, and 51274167), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7261), and the Doctoral Foundation Program of Ministry of China (Grant No. 20136102120021).

  6. Additive manufacturing of micrometric crystallization vessels and single crystals.

    PubMed

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-11-10

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates.

  7. Additive manufacturing of micrometric crystallization vessels and single crystals

    NASA Astrophysics Data System (ADS)

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-11-01

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates.

  8. Additive manufacturing of micrometric crystallization vessels and single crystals

    PubMed Central

    Halevi, Oded; Jiang, Hui; Kloc, Christian; Magdassi, Shlomo

    2016-01-01

    We present an all-additive manufacturing method that is performed at mild conditions, for the formation of organic single crystals at specific locations, without any photolithography prefabrication process. The method is composed of two steps; inkjet printing of a confinement frame, composed of a water soluble electrolyte. Then, an organic semiconductor solution is printed within the confinement to form a nucleus at a specific location, followed by additional printing, which led to the growth of a single crystal. The specific geometry of the confinement enables control of the specific locations of the single crystals, while separating the nucleation and crystal growth processes. By this method, we printed single crystals of perylene, which are suitable for the formation of OFETs. Moreover, since this method is based on a simple and controllable wet deposition process, it enables formation of arrays of single crystals at specific locations, which is a prerequisite for mass production of active organic elements on flexible substrates. PMID:27830827

  9. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Technical Reports Server (NTRS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

    2015-01-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial

  10. Adhesion of single crystals on modified surfaces in crystallization fouling

    NASA Astrophysics Data System (ADS)

    Mayer, Moriz; Augustin, Wolfgang; Scholl, Stephan

    2012-12-01

    In crystallization fouling it has been observed that during a certain initial phase the fouling is formed by a non-uniform layer consisting of a population of single crystals. These single crystals are frequently formed by inverse soluble salts such as CaCO3. During heterogeneous nucleation and heterogeneous growth an interfacial area between the crystal and the heat transfer surface occurs. The development of this interfacial area is the reason for the adhesion of each single crystal and of all individual crystals, once a uniform layer has been built up. The emerging interfacial area is intrinsic to the heterogeneous nucleation of crystals and can be explained by the thermodynamic principle of the minimum of the Gibbs free energy. In this study CaCO3 crystals were grown heterogeneously on untreated and on modified surfaces inside a flow channel. An untreated stainless steel (AISI 304) surface was used as a reference. Following surface modifications were investigated: enameled and electropolished stainless steel as well as diamond-like-carbon based coatings on stainless steel substrate. The adhesion was measured through a novel measurement technique using a micromanipulator to shear off single crystals from the substrate which was fixed to a spring table inside a SEM.

  11. Crystal nephropathies: mechanisms of crystal-induced kidney injury.

    PubMed

    Mulay, Shrikant R; Anders, Hans-Joachim

    2017-04-01

    Crystals can trigger a wide range of kidney injuries that can lead to acute kidney injury, chronic kidney disease, renal colic or nephrocalcinosis, depending on the localization and dynamics of crystal deposition. Studies of the biology of crystal handling by the kidney have shown that the formation of different crystals and other microparticles and the associated mechanisms of renal damage share molecular mechanisms, such as stimulation of the NLRP3 inflammasome or direct cytotoxicity through activation of the necroptosis signalling pathway. By contrast, crystal granuloma formation is limited to chronic crystallopathies that lead to chronic kidney disease and renal fibrosis. Here, we discuss current understanding of the pathomechanisms underlying the different types of crystal-induced kidney injury and propose a classification of crystal nephropathies based on the localization of crystal deposits in the renal vasculature (type 1), the nephron (type 2), or the draining urinary tract (type 3). Further exploration of the molecular mechanisms of crystal-induced kidney injury and renal remodelling might aid the development of innovative cures for these diseases.

  12. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    2003-01-01

    A method and apparatus for dynamically controlling the crystallization of molecules including a crystallization chamber (14) or chambers for holding molecules in a precipitant solution, one or more precipitant solution reservoirs (16, 18), communication passages (17, 19) respectively coupling the crystallization chamber(s) with each of the precipitant solution reservoirs, and transfer mechanisms (20, 21, 22, 24, 26, 28) configured to respectively transfer precipitant solution between each of the precipitant solution reservoirs and the crystallization chamber(s). The transfer mechanisms are interlocked to maintain a constant volume of precipitant solution in the crystallization chamber(s). Precipitant solutions of different concentrations are transferred into and out of the crystallization chamber(s) to adjust the concentration of precipitant in the crystallization chamber(s) to achieve precise control of the crystallization process. The method and apparatus can be used effectively to grow crystals under reduced gravity conditions such as microgravity conditions of space, and under conditions of reduced or enhanced effective gravity as induced by a powerful magnetic field.

  13. Couette-Taylor crystallizer: Effective control of crystal size distribution and recovery of L-lysine in cooling crystallization

    NASA Astrophysics Data System (ADS)

    Nguyen, Anh-Tuan; Yu, Taekyung; Kim, Woo-Sik

    2017-07-01

    A Couette-Taylor crystallizer is developed to enhance the L-Lysine crystal size distribution and recovery in the case of continuous cooling crystallization. When using the proposed Couette-Taylor (CT) crystallizer, the size distribution and crystal product recovery were much narrower and higher, respectively, than those from a conventional stirred tank (ST) crystallizer. Here, the coefficient of the size distribution for the crystal product from the CT crystallizer was only 0.45, while it was 0.78 in the case of the conventional ST crystallizer at an agitation speed of 700 rpm, mean residence time of 20 min, and feed concentration of 900 (g/L). Furthermore, when using the CT crystallizer, the crystal product recovery was remarkably enhanced up to 100%wt with a mean residence time of only 20 min, while it required a mean residence time of at least 60 min when using the conventional ST crystallizer. This result indicates that the CT crystallizer was much more effective than the conventional ST crystallizer in terms of controlling a narrower size distribution and achieving a 100%wt L-lysine crystal product recovery from continuous cooling crystallization. The advantage of the CT crystallizer over the conventional ST crystallizer was explained based on the higher energy dissipation of the Taylor vortex flow and larger surface area for heat transfer of the CT crystallizer. Here, the energy dissipation of the Taylor vortex flow in the CT crystallizer was 13.6 times higher than that of the random fluid motion in the conventional ST crystallizer, while the surface area per unit volume for heat transfer of the CT crystallizer was 8.0 times higher than that of the conventional ST crystallizer. As a result, the mixing condition and heat transfer of the CT crystallizer were much more effective than those of the conventional ST crystallizer for the cooling crystallization of L-lysine, thereby enhancing the L-lysine crystal size distribution and product recovery.

  14. Living Liquid Crystals.

    SciTech Connect

    Zhou, Shuang; Sokolov, Andrey; Lavrentovich, Oleg D.; Aranson, Igor S.

    2014-01-28

    Collective motion of self-propelled organisms or synthetic par­ticles, often termed •active fluid,• has attracted enormous atten­tion in the broad scientific community because of its fundamentally nonequilibrium nature. Energy input and interactions among the moving units and the medium lead to complex dynamics. Here,we introduce a class of active matter-living liquid crystals (UCs}­ that combines living swimming bacteria with a lyotropic liquid crystal. The physical properties of LLCs can be controlled by the amount of oxygen available to bacteria, by concentration of ingre­dients, or by temperature. Our studies reveal a wealth of intriguing dynamic phenomena. caused by the coupling between the activity-triggered flow and long-range orientational order of the medium. Among these are (i) nonlinear trajectories of bacterial motion guided by nonuniform director, (ii) local melting of the liquid crystal caused by the bacteria-produced shear flows, (iii) activity-triggered transition from a nonflowing uniform state into a flowing one-dimensional periodic pattern and its evolution into a turbulent array of topological defects, and (iv) birefringence­ enabled visualization of microflow generated by the nanometers­ thick bacterial flagella. Unlike their isotropic counterpart, the LLCs show collective dynamic effects at very low volume fraction of bacteria, on the order of 0.2%. Our work suggests an unorthodox design concept to control and manipulate the dynamic behavior of soft active matter and opens the door for potential biosensing and biomedical applications.

  15. Lasing from fluorescent protein crystals.

    PubMed

    Oh, Heon Jeong; Gather, Malte C; Song, Ji-Joon; Yun, Seok Hyun

    2014-12-15

    We investigated fluorescent protein crystals for potential photonic applications, for the first time to our knowledge. Rod-shaped crystals of enhanced green fluorescent protein (EGFP) were synthesized, with diameters of 0.5-2 μm and lengths of 100-200 μm. The crystals exhibit minimal light scattering due to their ordered structure and generate substantially higher fluorescence intensity than EGFP or dye molecules in solutions. The magnitude of concentration quenching in EGFP crystals was measured to be about 7-10 dB. Upon optical pumping at 485 nm, individual EGFP crystals located between dichroic mirrors generated laser emission with a single-mode spectral line at 513 nm. Our results demonstrate the potential of protein crystals as novel optical elements for self-assembled, micro- or nano-lasers and amplifiers in aqueous environment.

  16. Dissipation by a crystallization process

    NASA Astrophysics Data System (ADS)

    Dorosz, Sven; Voigtmann, Thomas; Schilling, Tanja

    2016-01-01

    We discuss crystallization as a non-equilibrium process. In a system of hard spheres under compression at a constant rate, we quantify the amount of heat that is dissipated during the crystallization process. We interpret the dissipation as arising from the resistance of the system against phase transformation. An intrinsic compression rate is identified that separates a quasi-static regime from one of rapidly driven crystallization. In the latter regime the system crystallizes more easily, because new relaxation channels are opened, at the cost of forming a higher fraction of non-equilibrium crystal structures. We rationalize the change in the crystallization mechanism by analogy with shear thinning, in terms of a kinetic competition between near-equilibrium relaxation and external driving.

  17. Crystallization of fluorozirconate glasses

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Doremus, Robert H.; Bruce, A. J.; Moynihan, C. T.

    1984-01-01

    The crystallization of a number of glasses of the fluorozirconate family has been studied (using powder X-ray diffraction and DSC) as a function of time and temperature of heating. The main crystalline phases were beta BaZrF6 and beta BaZr2F10. Stable and metastble transformations to the low-temperature alpha phases were also investigated. The size of crystallites in fully devitrified glasses was calculated (from line broadening of the X-ray diffraction peaks) to be about 60 nm.

  18. Vortex crystals in fluids

    NASA Astrophysics Data System (ADS)

    Barry, Anna M.

    It is common in geophysical flows to observe localized regions of enhanced vorticity. This observation can be used to derive model equations to describe the motion and interaction of these localized regions, or vortices, and which are simpler than the original PDEs. The best known vortex model is derived from the incompressible Euler equations, and treats vortices as points in the plane. A large part of this dissertation utilizes this particular model, but we also survey other point vortex and weakly viscous models. The main focus of this thesis is an object known as the vortex crystal. These remarkable configurations of vortices maintain their basic shapes for long times, while perhaps rotating or translating rigidly in space. We study existence and stability of families of vortex crystals in the special case where N vortices have small and equal circulation and one vortex has large circulation. As the small circulation tends to zero, the weak vortices tend to a circle centered on the strong vortex. A special potential function of this limiting problem can be used to characterize orbits and stability. Whenever a critical point of this function is nondegenerate, we prove that the orbit can be continued via the Implicit Function Theorem, and its linear stability is determined by the eigenvalues of the Hessian matrix of the potential. For general N, we find at least three distinct families of critical points, one of which continues to a linearly stable class of vortex crystals. Because the stable family is most likely to be observed in nature, we study it extensively. Continuation methods allow us to follow these critical points to nonzero weak vortex strength and investigate stability and bifurcations. In the large N limit of this family, we prove that there is a unique one parameter family of distributions which minimize a "generalized" potential. Finally, we use point vortex and weakly viscous vortex models to analyze vortex crystal configurations observed in

  19. Crystallization in detergent performance

    NASA Astrophysics Data System (ADS)

    Verdoes, D.; Van Landschoot, R. C.; Van Rosmalen, G. M.

    1990-01-01

    The effects of various polymeric additives on the crystallization of CaCO 3 in simple soda-based detergent formulations were investigated. The adherence of CaCO 3 on cotton, a great disadvantage of soda-based detergents, was significantly diminished by copolymers of polystyrene sulfonates. A mechanism in which these additives promote the nucleation of CaCO 3 is proposed. Polyacrylates cause an increasing adherence of CaCO 3 on cotton, because the chains adsorb on cotton and CaCO 3

  20. Photonic crystal optofluidic biolaser

    NASA Astrophysics Data System (ADS)

    Mozaffari, Mohammad Hazhir; Ebnali-Heidari, Majid; Abaeiani, Gholamreza; Moravvej-Farshi, Mohammad Kazem

    2017-09-01

    Optofluidic biolasers are recently being considered in bioanalytical applications due to their advantages over the conventional biosensing methods Exploiting a photonic crystal slab with selectively dye-infiltrated air holes, we propose a new optofluidic heterostructure biolaser, with a power conversion efficiency of 25% and the spectral linewidth of 0.24 nm. Simulations show that in addition to these satisfactory lasing characteristics, the proposed lab-on-a-chip biolaser is highly sensitive to the minute biological changes that may occur in its cavity and can detect a single virus with a radius as small as 13 nm.

  1. Photonic crystal microspheres

    NASA Astrophysics Data System (ADS)

    Zhokhov, A. A.; Masalov, V. M.; Sukhinina, N. S.; Matveev, D. V.; Dolganov, P. V.; Dolganov, V. K.; Emelchenko, G. A.

    2015-11-01

    Spherical samples of photonic crystals formed by colloidal SiO2 nanoparticles were synthesized. Synthesis of microspheres from 160 nm, 200 nm and 430 nm diameter colloidal nanoparticles was performed over a wide size range, from 5 μm to 50 μm. The mechanism of formation of void microparticles exceeding 50 μm is discussed. The spectral measurements verified the association of the spectra with the peaks of selective reflection from the cubic lattice planes. The microparticle morphology is characterized by scanning electron microscopy (SEM).

  2. Electrohydrodynamically patterned colloidal crystals

    NASA Technical Reports Server (NTRS)

    Hayward, Ryan C. (Inventor); Poon, Hak F. (Inventor); Xiao, Yi (Inventor); Saville, Dudley A. (Inventor); Aksay, Ilhan A. (Inventor)

    2003-01-01

    A method for assembling patterned crystalline arrays of colloidal particles using ultraviolet illumination of an optically-sensitive semiconducting anode while using the anode to apply an electronic field to the colloidal particles. The ultraviolet illumination increases current density, and consequently, the flow of the colloidal particles. As a result, colloidal particles can be caused to migrate from non-illuminated areas of the anode to illuminated areas of the anode. Selective illumination of the anode can also be used to permanently affix colloidal crystals to illuminated areas of the anode while not affixing them to non-illuminated areas of the anode.

  3. Polymerizable ionic liquid crystals.

    PubMed

    Jazkewitsch, Olga; Ritter, Helmut

    2009-09-17

    Polymerizable vinylimidazolium ionic liquids (ILs) that contain mesogenic coumarin and biphenyl units, respectively, have been synthesized. The N-alkylation of N-vinylimidazole with bromoalkylated mesogenic units 7-(6-bromohexyloxy)coumarin (1) and 4,4'-bis(6-bromohexyloxy)biphenyl (2) was then carried out. The thermal behavior of the obtained ILs 3 and 4 was investigated by differential scanning calorimetry and polarizing optical microscopy. These measurements showed that the attached mesogenic units induce the self-assembly of ILs and, therefore, the occurrence of liquid crystalline phases. Subsequently, the ionic liquid crystals (ILCs) 3 and 4 were polymerized by a free-radical mechanism.

  4. Liquid-crystal lasers

    NASA Astrophysics Data System (ADS)

    Coles, Harry; Morris, Stephen

    2010-10-01

    Liquid-crystal lasers are a burgeoning area in the field of soft-matter photonics that may herald a new era of ultrathin, highly versatile laser sources. Such lasers encompass a multitude of remarkable features, including wideband tunability, large coherence area and, in some cases, multidirectional emission. They have the potential to combine large output powers with miniature cavity dimensions - two properties that have traditionally been incompatible. Their potential applications are diverse, ranging from miniature medical diagnostic tools to large-area holographic laser displays. Here we discuss the scientific origins of this technology and give a brief synopsis of the cutting-edge research currently being carried out worldwide.

  5. Liquid crystals for photonic applications

    NASA Astrophysics Data System (ADS)

    Miniewicz, A.; Gniewek, A.; Parka, J.

    2003-01-01

    In this paper we describe application of liquid crystals in optical imaging and processing. Electrically and optically addressed liquid crystal spatial light modulators are key elements in real-time holographic devices. Their implementation for beam steering and hologram formation is briefly discussed. The Joint Fourier transform optical correlator for pattern recognition is presented as well as the use of liquid crystals for the adaptive optics purposes is discussed.

  6. Crystallization modifiers in lipid systems.

    PubMed

    Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Miyasaki, Eriksen Koji; Domingues, Maria Aliciane Fontenele; Stroppa, Valter Luís Zuliani; de Oliveira, Glazieli Marangoni; Kieckbusch, Theo Guenter

    2015-07-01

    Crystallization of fats is a determinant physical event affecting the structure and properties of fat-based products. The stability of these processed foods is regulated by changes in the physical state of fats and alterations in their crystallization behavior. Problems like polymorphic transitions, oil migration, fat bloom development, slow crystallization and formation of crystalline aggregates stand out. The change of the crystallization behavior of lipid systems has been a strategic issue for the processing of foods, aiming at taylor made products, reducing costs, improving quality, and increasing the applicability and stability of different industrial fats. In this connection, advances in understanding the complex mechanisms that govern fat crystallization led to the development of strategies in order to modulate the conventional processes of fat structuration, based on the use of crystallization modifiers. Different components have been evaluated, such as specific triacyglycerols, partial glycerides (monoacylglycerols and diacylglycerols), free fatty acids, phospholipids and emulsifiers. The knowledge and expertise on the influence of these specific additives or minor lipids on the crystallization behavior of fat systems represents a focus of current interest for the industrial processing of oils and fats. This article presents a comprehensive review on the use of crystallization modifiers in lipid systems, especially for palm oil, cocoa butter and general purpose fats, highlighting: i) the removal, addition or fractionation of minor lipids in fat bases; ii) the use of nucleating agents to modify the crystallization process; iii) control of crystallization in lipid bases by using emulsifiers. The addition of these components into lipid systems is discussed in relation to the phenomena of nucleation, crystal growth, morphology, thermal behavior and polymorphism, with the intention of providing the reader with a complete panorama of the associated mechanisms

  7. Inorganic Crystal Structure Database (ICSD)

    National Institute of Standards and Technology Data Gateway

    SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) (PC database for purchase)   The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe(FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 140,000 entries and covering the literature from 1915 to the present.

  8. Protein crystal growth tray assembly

    NASA Technical Reports Server (NTRS)

    Carter, Daniel C. (Inventor); Miller, Teresa Y. (Inventor)

    1992-01-01

    A protein crystal growth tray assembly includes a tray that has a plurality of individual crystal growth chambers. Each chamber has a movable pedestal which carries a protein crystal growth compartment at an upper end. The several pedestals for each tray assembly are ganged together for concurrent movement so that the solutions in the various pedestal growth compartments can be separated from the solutions in the tray's growth chambers until the experiment is to be activated.

  9. Predictive control of crystal size distribution in protein crystallization.

    PubMed

    Shi, Dan; Mhaskar, Prashant; El-Farra, Nael H; Christofides, Panagiotis D

    2005-07-01

    This work focuses on the modelling, simulation and control of a batch protein crystallization process that is used to produce the crystals of tetragonal hen egg-white (HEW) lysozyme. First, a model is presented that describes the formation of protein crystals via nucleation and growth. Existing experimental data are used to develop empirical models of the nucleation and growth mechanisms of the tetragonal HEW lysozyme crystal. The developed growth and nucleation rate expressions are used within a population balance model to simulate the batch crystallization process. Then, model reduction techniques are used to derive a reduced-order moments model for the purpose of controller design. Online measurements of the solute concentration and reactor temperature are assumed to be available, and a Luenberger-type observer is used to estimate the moments of the crystal size distribution based on the available measurements. A predictive controller, which uses the available state estimates, is designed to achieve the objective of maximizing the volume-averaged crystal size while respecting constraints on the manipulated input variables (which reflect physical limitations of control actuators) and on the process state variables (which reflect performance considerations). Simulation results demonstrate that the proposed predictive controller is able to increase the volume-averaged crystal size by 30% and 8.5% compared to constant temperature control (CTC) and constant supersaturation control (CSC) strategies, respectively, while reducing the number of fine crystals produced. Furthermore, a comparison of the crystal size distributions (CSDs) indicates that the product achieved by the proposed predictive control strategy has larger total volume and lower polydispersity compared to the CTC and CSC strategies. Finally, the robustness of the proposed method (achieved due to the presence of feedback) with respect to plant-model mismatch is demonstrated. The proposed method is

  10. Seeding approach to crystal nucleation.

    PubMed

    Espinosa, Jorge R; Vega, Carlos; Valeriani, Chantal; Sanz, Eduardo

    2016-01-21

    We present a study of homogeneous crystal nucleation from metastable fluids via the seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones, and Hard Spheres. Combining simulations of spherical crystal seeds embedded in the metastable fluid with classical nucleation theory, we are able to successfully describe the nucleation rate for all systems in a wide range of metastability. The crystal-fluid interfacial free energy extrapolated to coexistence conditions is also in good agreement with direct calculations of such parameter. Our results show that seeding is a powerful technique to investigate crystal nucleation.

  11. Microcontact printing of colloidal crystals.

    PubMed

    Yan, Xin; Yao, Jimin; Lu, Guang; Chen, Xin; Zhang, Kai; Yang, Bai

    2004-09-01

    Patterned two-dimensional (2D) colloidal crystals have been transferred by a modified mucp technique that was based on the use of polymer film as "glue" to provide an efficient interaction between the microsphere "ink" and substrate. The versatility of this method has been demonstrated by the patterning of colloidal crystal on a nonplanar substrate and heterogeneously structured colloidal crystal film. The table of contents graphic shows an SEM image of the ordered parallel lines of 2D colloidal crystals on a polymer-coated glass tube with a 3.7 mm radius of curvature.

  12. Surface Relaxation in Protein Crystals

    NASA Technical Reports Server (NTRS)

    Boutet, S.; Robinson, I. K.; Hu, Z. W.; Thomas, B. R.; Chernov, A. A.

    2002-01-01

    Surface X-ray diffraction measurements were performed on (111) growth faces of crystals of the Cellular iron-storage protein horse spleen ferritin. Crystal Trunkation Rods (CTR) were measured. A fit of the measured profile of the CTR revealed a surface roughness of 48 +/- 4.5 A and a top layer spacing contraction of 3.9 +/- 1.5%. In addition to the peak from the CTR, the rocking curves of the crystals displayed unexpected extra peaks. Multiple-scattering is demonstrated to account for them. Future applications of the method could allow the exploration of hydration effects on the growth of protein crystals.

  13. Surface Relaxation in Protein Crystals

    NASA Technical Reports Server (NTRS)

    Boutet, S.; Robinson, I. K.; Hu, Z. W.; Thomas, B. R.; Chernov, A. A.

    2002-01-01

    Surface X-ray diffraction measurements were performed on (111) growth faces of crystals of the Cellular iron-storage protein horse spleen ferritin. Crystal Trunkation Rods (CTR) were measured. A fit of the measured profile of the CTR revealed a surface roughness of 48 +/- 4.5 A and a top layer spacing contraction of 3.9 +/- 1.5%. In addition to the peak from the CTR, the rocking curves of the crystals displayed unexpected extra peaks. Multiple-scattering is demonstrated to account for them. Future applications of the method could allow the exploration of hydration effects on the growth of protein crystals.

  14. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Bugg, C. E.; Clifford, D. W.

    1987-01-01

    The advantages of protein crystallization in space, and the applications of protein crystallography to drug design, protein engineering, and the design of synthetic vaccines are examined. The steps involved in using protein crystallography to determine the three-dimensional structure of a protein are discussed. The growth chamber design and the hand-held apparatus developed for protein crystal growth by vapor diffusion techniques (hanging-drop method) are described; the experimental data from the four Shuttle missions are utilized to develop hardware for protein crystal growth in space and to evaluate the effects of gravity on protein crystal growth.

  15. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Bugg, C. E.; Clifford, D. W.

    1987-01-01

    The advantages of protein crystallization in space, and the applications of protein crystallography to drug design, protein engineering, and the design of synthetic vaccines are examined. The steps involved in using protein crystallography to determine the three-dimensional structure of a protein are discussed. The growth chamber design and the hand-held apparatus developed for protein crystal growth by vapor diffusion techniques (hanging-drop method) are described; the experimental data from the four Shuttle missions are utilized to develop hardware for protein crystal growth in space and to evaluate the effects of gravity on protein crystal growth.

  16. Quartz-crystal-oscillator hygrometer

    NASA Technical Reports Server (NTRS)

    Kruger, R.

    1977-01-01

    Measuring device, which eliminates complex and expensive optical components by electronically sensing dewpoint of water vapor in gas, employs piezoelectric crystal oscillator, supportive circuitry, temperature regulators, and readout.

  17. Quartz-crystal-oscillator hygrometer

    NASA Technical Reports Server (NTRS)

    Kruger, R.

    1977-01-01

    Measuring device, which eliminates complex and expensive optical components by electronically sensing dewpoint of water vapor in gas, employs piezoelectric crystal oscillator, supportive circuitry, temperature regulators, and readout.

  18. Photonic Crystal Laser Accelerator Structures

    SciTech Connect

    Cowan, Benjamin M

    2003-05-21

    Photonic crystals have great potential for use as laser-driven accelerator structures. A photonic crystal is a dielectric structure arranged in a periodic geometry. Like a crystalline solid with its electronic band structure, the modes of a photonic crystal lie in a set of allowed photonic bands. Similarly, it is possible for a photonic crystal to exhibit one or more photonic band gaps, with frequencies in the gap unable to propagate in the crystal. Thus photonic crystals can confine an optical mode in an all-dielectric structure, eliminating the need for metals and their characteristic losses at optical frequencies. We discuss several geometries of photonic crystal accelerator structures. Photonic crystal fibers (PCFs) are optical fibers which can confine a speed-of-light optical mode in vacuum. Planar structures, both two- and three-dimensional, can also confine such a mode, and have the additional advantage that they can be manufactured using common microfabrication techniques such as those used for integrated circuits. This allows for a variety of possible materials, so that dielectrics with desirable optical and radiation-hardness properties can be chosen. We discuss examples of simulated photonic crystal structures to demonstrate the scaling laws and trade-offs involved, and touch on potential fabrication processes.

  19. Crystal face temperature determination means

    DOEpatents

    Nason, D.O.; Burger, A.

    1994-11-22

    An optically transparent furnace having a detection apparatus with a pedestal enclosed in an evacuated ampule for growing a crystal thereon is disclosed. Temperature differential is provided by a source heater, a base heater and a cold finger such that material migrates from a polycrystalline source material to grow the crystal. A quartz halogen lamp projects a collimated beam onto the crystal and a reflected beam is analyzed by a double monochromator and photomultiplier detection spectrometer and the detected peak position in the reflected energy spectrum of the reflected beam is interpreted to determine surface temperature of the crystal. 3 figs.

  20. Crystal Chemistry of Melanite Garnet

    NASA Technical Reports Server (NTRS)

    Nguyen, Dawn Marie

    1999-01-01

    This original project resulted in a detailed crystal chemical data map of a titanium rich garnet (melanite) suite that originates from the Crowsnest Volcanics of Alberta Canada. Garnet is typically present during the partial melting of the earth's mantle to produce basalt. Prior studies conducted at Youngstown State University have yielded questions as to the crystal structure of the melanite. In the Studies conducted at Youngstown State University, through the use of single crystal x-ray diffraction, the c-axis appears to be distorted creating a tetragonal crystal instead of the typical cubic crystal of garnets. The micro probe was used on the same suite of titanium rich garnets as used in the single crystal x-ray diffraction. The combination of the single crystal x-ray research and the detailed microprobe research will allow us to determine the exact crystal chemical structure of the melanite garnet. The crystal chemical data was gathered through the utilization of the SX100 Electron Probe Micro Analyzer. Determination of the exact chemical nature may prove useful in modeling the ultramafic source rock responsible for the formation of the titanium rich lunar basalts.

  1. Crystal Compton Camera

    SciTech Connect

    Ziock, Klaus-Peter; Braverman, Joshua B.; Harrison, Mark J.; Hornback, Donald Eric; Fabris, Lorenzo; Newby, Jason

    2013-09-26

    Stand-off detection is one of the most important radiation detection capabilities for arms control and the control of illicit nuclear materials. For long range passive detection one requires a large detector and a means of “seeing through” the naturally occurring and varying background radiation, i.e. imaging. Arguably, Compton imaging is the best approach over much of the emission band suitable for long range detection. It provides not only imaging, but more information about the direction of incidence of each detected gamma-ray than the alternate approach of coded-aperture imaging. The directional information allows one to reduce the background and hence improve the sensitivity of a measurement. However, to make an efficient Compton imager requires localizing and measuring the simultaneous energy depositions when gamma-rays Compton scatter and are subsequently captured within a single, large detector volume. This concept has been demonstrated in semi-conductor detectors (HPGe, CZT, Si) but at ~ $1k/cm3 these materials are too expensive to build the large systems needed for standoff detection. Scintillator detectors, such as NaI(Tl), are two orders of magnitude less expensive and possess the energy resolution required to make such an imager. However, they do not currently have the ability to localize closely spaced, simultaneous energy depositions in a single large crystal. In this project we are applying a new technique that should, for the first time ever, allow cubic-millimeter event localization in a bulk scintillator crystal.

  2. Better photonic crystal fibres

    NASA Astrophysics Data System (ADS)

    Knight, J. C.

    2008-11-01

    The development of optical fibers with two-dimensional patterns of air holes running down their length has reinvigorated research in the field of fiber optics. It has greatly - and fundamentally - broadened the range of specialty optical fibers, by demonstrating that optical fibers can be more 'special" than previously thought. Applications of such special fibers have not been hard to find. Fibers with air cores have made it possible to deliver energetic femtosecond-scale optical pulses, transform limited, as solitons, using single-mode fiber. Other fibers with anomalous dispersion at visible wavelengths have spawned a new generation of single-mode optical supercontinuum sources, spanning visible and near-infrared wavelengths and based on compact pump sources. A third example is in the field of fiber lasers, where the use of photonic crystal fiber concepts has led to a new hybrid laser technology, in which the very high numerical aperture available using air holes have enabled fibers so short they are more naturally held straight than bent. However, commercial success demands more than just a fiber and an application. The useful properties of the fibers need to be optimized for the specific application. This tutorial will describe some of the basic physics and technology behind these photonic crystal fibers (PCF's), illustrated with some of the impressive demonstrations of the past 18 months.

  3. Sonofragmentation of Ionic Crystals.

    PubMed

    Kim, Hyo Na; Suslick, Kenneth S

    2017-02-24

    Mechanochemistry deals with the interface between the chemical and the mechanical worlds and explores the physical and chemical changes in materials caused by an input of mechanical energy. As such, the chemical and physical effects of ultrasound, i.e., sonochemistry, are forms of mechanochemistry. In this paper, the fragmentation of ionic crystals during ultrasonic irradiation of slurries has been quantitatively investigated: the rate of fragmentation depends strongly on the strength of the materials (as measured by Vickers hardness or by Young's modulus). This is a mechanochemical extension of the Bell-Evans-Polanyi Principle or Hammond's Postulate: activation energies for solid fracture correlate with binding energies of solids. Sonofragmentation is unaffected by slurry loading or liquid vapor pressure, but is suppressed by increasing liquid viscosity. The mechanism of the particle breakage is consistent with a direct interaction between the shockwaves created by the ultrasound (through acoustic cavitation) and the solid particles in the slurry. Fragmentation is proposed to occur from defects in the solids induced by compression-expansion, bending, or torsional distortions of the crystals.

  4. Crystal structure of triclopyr.

    PubMed

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-09-01

    In the title compound {systematic name: 2-[(3,5,6-tri-chloro-pyridin-2-yl)-oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the mean plane of the carb-oxy-lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter-molecular O-H⋯O hydrogen bonds form dimers through an R 2 (2)(8) ring motif and are extended into chains along [100] by weak π-π inter-actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter-molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4).

  5. Crystal structure of triclopyr

    PubMed Central

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-01-01

    In the title compound {systematic name: 2-[(3,5,6-tri­chloro­pyridin-2-yl)­oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol­ecules in which the dihedral angles between the mean plane of the carb­oxy­lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter­molecular O—H⋯O hydrogen bonds form dimers through an R 2 2(8) ring motif and are extended into chains along [100] by weak π–π inter­actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter­molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). PMID:25309266

  6. Liquid Crystals in Tribology

    PubMed Central

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-01-01

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered. PMID:19865534

  7. Frustrated polymer crystal structures

    NASA Astrophysics Data System (ADS)

    Lotz, B.; Strasbourg, 67083

    1997-03-01

    Several crystal structures or polymorphs of chiral or achiral polymers and biopolymers with three fold conformation of the helix have been found to conform to a common and -with one exception(Puterman, M. et al, J. Pol. Sci., Pol. Phys. Ed., 15, 805 (1977))- hitherto unsuspected packing scheme. The trigonal unit-cell contains three isochiral helices; the azimuthal setting of one helix differs significantly from that of the other two, leading to a so-called frustrated packing scheme, in which the environment of conformationally identical helices differs. Two variants of the frustrated scheme are analyzed. Similarities with frustrated two dimensional magnetic systems are underlined. Various examples of frustration in polymer crystallography are illustrated via the elucidation or reinterpretation of crystal phases or polymorphs of polyolefins, polyesters, cellulose derivatives and polypeptides. Structural manifestations (including AFM evidence) and morphological consequences of frustration are presented, which help diagnose the existence of this original packing of polymers.(Work done with L. Cartier, D. Dorset, S. Kopp, T. Okihara, M. Schumacher, W. Stocker.)

  8. Single-crystal silicon optical fiber by direct laser crystallization

    SciTech Connect

    Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; Cheng, Hiu Yan; Liu, Wenjun; Poilvert, Nicolas; Xiong, Yihuang; Dabo, Ismaila; Mohney, Suzanne E.; Badding, John V.; Gopalan, Venkatraman

    2016-12-05

    Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillary fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.

  9. Single-crystal silicon optical fiber by direct laser crystallization

    DOE PAGES

    Ji, Xiaoyu; Lei, Shiming; Yu, Shih -Ying; ...

    2016-12-05

    Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillarymore » fibers by high-pressure chemical vapor deposition. The single-crystal fibers, up to 5.1 mm long, have a very welldefined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to ~0.47-1dB/cm at the standard telecommunication wavelength (1550 nm). Furthermore, tt also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.« less

  10. Glasses crystallize rapidly at free surfaces by growing crystals upward.

    PubMed

    Sun, Ye; Zhu, Lei; Kearns, Kenneth L; Ediger, Mark D; Yu, Lian

    2011-04-12

    The crystallization of glasses and amorphous solids is studied in many fields to understand the stability of amorphous materials, the fabrication of glass ceramics, and the mechanism of biomineralization. Recent studies have found that crystal growth in organic glasses can be orders of magnitude faster at the free surface than in the interior, a phenomenon potentially important for understanding glass crystallization in general. Current explanations differ for surface-enhanced crystal growth, including released tension and enhanced mobility at glass surfaces. We report here a feature of the phenomenon relevant for elucidating its mechanism: Despite their higher densities, surface crystals rise substantially above the glass surface as they grow laterally, without penetrating deep into the bulk. For indomethacin (IMC), an organic glass able to grow surface crystals in two polymorphs (α and γ), the growth front can be hundreds of nanometers above the glass surface. The process of surface crystal growth, meanwhile, is unperturbed by eliminating bulk material deeper than some threshold depth (ca. 300 nm for α IMC and less than 180 nm for γ IMC). As a growth strategy, the upward-lateral growth of surface crystals increases the system's surface energy, but can effectively take advantage of surface mobility and circumvent slow growth in the bulk.

  11. Glasses crystallize rapidly at free surfaces by growing crystals upward

    PubMed Central

    Sun, Ye; Zhu, Lei; Kearns, Kenneth L.; Ediger, Mark D.; Yu, Lian

    2011-01-01

    The crystallization of glasses and amorphous solids is studied in many fields to understand the stability of amorphous materials, the fabrication of glass ceramics, and the mechanism of biomineralization. Recent studies have found that crystal growth in organic glasses can be orders of magnitude faster at the free surface than in the interior, a phenomenon potentially important for understanding glass crystallization in general. Current explanations differ for surface-enhanced crystal growth, including released tension and enhanced mobility at glass surfaces. We report here a feature of the phenomenon relevant for elucidating its mechanism: Despite their higher densities, surface crystals rise substantially above the glass surface as they grow laterally, without penetrating deep into the bulk. For indomethacin (IMC), an organic glass able to grow surface crystals in two polymorphs (α and γ), the growth front can be hundreds of nanometers above the glass surface. The process of surface crystal growth, meanwhile, is unperturbed by eliminating bulk material deeper than some threshold depth (ca. 300 nm for α IMC and less than 180 nm for γ IMC). As a growth strategy, the upward-lateral growth of surface crystals increases the system’s surface energy, but can effectively take advantage of surface mobility and circumvent slow growth in the bulk. PMID:21444775

  12. Crystallization and crystal manipulation of the Pterocarpus angolensis seed lectin.

    PubMed

    Loris, Remy; Garcia-Pino, Abel; Buts, Lieven; Bouckaert, Julie; Beeckmans, Sonia; De Greve, Henri; Wyns, Lode

    2005-06-01

    The Man/Glc-specific legume lectin from the seeds of the African bloodwood tree (Pterocarpus angolensis) was crystallized in the presence of the disaccharide ligand Man(alpha1-3)ManMe. Small crystals initially appeared from a preliminary screen, but proved difficult to reproduce. The initial crystals were used to prepare microseeds, leading to a reproducible crystallization protocol. All attempts to obtain crystals directly of the ligand-free protein or of other carbohydrate complexes failed. However, the Man(alpha1-3)ManMe co-crystals withstand soaking with ten other carbohydrates known to bind to the lectin. Soaking for 15 min in 100 mM carbohydrate typically resulted in complete replacement of Man(alpha1-3)ManMe by the desired carbohydrate despite the involvement of lattice contacts at the binding site. Transferring the crystals for two weeks in carbohydrate-free artificial mother liquor resulted in the complete removal of the sugar from one of the two monomers in the asymmetric unit. Additional treatment of these crystals with 100 mM EDTA for two weeks resulted in removal of the structural calcium and manganese ions, which is accompanied by significant structural rearrangements of the loops that constitute the carbohydrate-binding site.

  13. Di-methyl-ammonium tetra-aqua-(hydrogen-sulfato)-sulfato-cuprate(II).

    PubMed

    Held, Peter

    2014-04-01

    In the title salt, [(CH3)2NH2][Cu(HSO4)(SO4)(H2O)4], one type of cation and anion is present in the asymmetric unit. The Cu(II) atom in the complex anion, [Cu(HSO4)(SO4)(H2O)4](-), has a tetra-gonal bipyramidal [4 + 2] coordination caused by a Jahn-Teller distortion, with the aqua ligands in equatorial and two O atoms of tetra-hedral HSO4 and SO4 units in apical positions. Both types of ions form sheets parallel to (010). The inter-connection within and between the sheets is reinforced by O-H⋯O and N-H⋯O hydrogen bonds, respectively, involving the water mol-ecules, the two types of sulfate anions and the ammonium groups.

  14. Engineering calcium oxalate crystal formation in Arabidopsis

    USDA-ARS?s Scientific Manuscript database

    Many plants accumulate crystals of calcium oxalate. Just how these crystals form remains unknown. To gain insight into the mechanisms regulating calcium oxalate crystal formation, a crystal engineering approach was initiated utilizing the non-crystal accumulating plant, Arabidopsis. The success of t...

  15. Optics of globular photonic crystals

    SciTech Connect

    Gorelik, V S

    2007-05-31

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter {approx}200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

  16. Cognitive Complexity and Interest Crystallization.

    ERIC Educational Resources Information Center

    Winer, Dov; Gati, Itamar

    1986-01-01

    Investigated the relationship between cognitive differentiation and vocational interest crystallization. Results indicated the relationships between measures of cognitive differentiation were generally low, and that interest crystallization was related to between-construct differentiation, but not to the other measures of cognitive complexity.…

  17. Dynamically controlled crystal growth system

    NASA Technical Reports Server (NTRS)

    Bray, Terry L. (Inventor); Kim, Larry J. (Inventor); Harrington, Michael (Inventor); DeLucas, Lawrence J. (Inventor)

    2002-01-01

    Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

  18. Czochralski crystal growth: Modeling study

    NASA Technical Reports Server (NTRS)

    Dudukovic, M. P.; Ramachandran, P. A.; Srivastava, R. K.; Dorsey, D.

    1986-01-01

    The modeling study of Czochralski (Cz) crystal growth is reported. The approach was to relate in a quantitative manner, using models based on first priniciples, crystal quality to operating conditions and geometric variables. The finite element method is used for all calculations.

  19. Crystallization of steroids in gels

    NASA Astrophysics Data System (ADS)

    Kalkura, S. Narayana; Devanarayanan, S.

    1991-03-01

    The crystal growth and characterization of certain steriods, viz., cholesterol, cholesteryl acetate, β-sitosterol, progesterone and testosterone, in a silica gel medium is discussed. The present study shows that the single test tube diffusion method can be used to grow crystals of steroids in a silica gel medium by the reduction of steroid solubility.

  20. Crystals Out of "Thin Air".

    ERIC Educational Resources Information Center

    Vollmer, John J.

    2000-01-01

    Describes how to grow crystals of para-dichlorobenzene beginning with household mothballs. The crystals form through sublimation (solid to gas) and deposition (gas to solid). Also discusses demonstrations of evaporation and condensation and odor perception, which can support a study of the kinetic theory and phases of matter. (WRM)

  1. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Carter, Daniel

    1992-01-01

    The overall scientific goals and rationale for growing protein crystals in microgravity are discussed. Data on the growth of human serum albumin crystals which were produced during the First International Microgravity Laboratory (IML-1) are presented. Potential scientific advantages of the utilization of Space Station Freedom are discussed.

  2. Growing Crystals on the Ceiling.

    ERIC Educational Resources Information Center

    Christman, Robert A.

    1980-01-01

    Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

  3. Photoelastic sphenoscopic analysis of crystals

    NASA Astrophysics Data System (ADS)

    Montalto, L.; Rinaldi, D.; Scalise, L.; Paone, N.; Davı, F.

    2016-01-01

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  4. Photoelastic sphenoscopic analysis of crystals.

    PubMed

    Montalto, L; Rinaldi, D; Scalise, L; Paone, N; Davì, F

    2016-01-01

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  5. Photoelastic sphenoscopic analysis of crystals

    SciTech Connect

    Montalto, L.; Rinaldi, D.; Scalise, L.; Paone, N.; Davì, F.

    2016-01-15

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  6. Crystals Out of "Thin Air".

    ERIC Educational Resources Information Center

    Vollmer, John J.

    2000-01-01

    Describes how to grow crystals of para-dichlorobenzene beginning with household mothballs. The crystals form through sublimation (solid to gas) and deposition (gas to solid). Also discusses demonstrations of evaporation and condensation and odor perception, which can support a study of the kinetic theory and phases of matter. (WRM)

  7. Novel inclusion in laser crystals

    SciTech Connect

    Ma Xiaoshan; Wang Siting; Jin Zhongru; Shen Yafang; Chen Jiaguang

    1986-12-01

    In growing alexandrite crystals, a novel inclusion has been found. The inclusions are quantitatively analyzed by an electronic probe and the mechanism for forming inclusions is suggested. In our Bridgman MgF/sub 2/ crystals, the inclusions in <001> direction have also been observed.

  8. Growing Crystals on the Ceiling.

    ERIC Educational Resources Information Center

    Christman, Robert A.

    1980-01-01

    Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

  9. Controlling Chirality of Entropic Crystals

    NASA Astrophysics Data System (ADS)

    Damasceno, Pablo; Karas, Andrew; Schultz, Benjamin; Engel, Michael; Glotzer, Sharon

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams. Work supported by the National Science Foundation, Division of Materials Research Award No. DMR 1120923, U.S. Army Research Office under Grant Award No. W911NF-10-1-0518, and also by the DOD/ASD (R&E) under Award No. N00244-09-1-0062.

  10. Clathrate colloidal crystals

    NASA Astrophysics Data System (ADS)

    Lin, Haixin; Lee, Sangmin; Sun, Lin; Spellings, Matthew; Engel, Michael; Glotzer, Sharon C.; Mirkin, Chad A.

    2017-03-01

    DNA-programmable assembly has been used to deliberately synthesize hundreds of different colloidal crystals spanning dozens of symmetries, but the complexity of the achieved structures has so far been limited to small unit cells. We assembled DNA-modified triangular bipyramids (~250-nanometer long edge, 177-nanometer short edge) into clathrate architectures. Electron microscopy images revealed that at least three different structures form as large single-domain architectures or as multidomain materials. Ordered assemblies, isostructural to clathrates, were identified with the help of molecular simulations and geometric analysis. These structures are the most sophisticated architectures made via programmable assembly, and their formation can be understood based on the shape of the nanoparticle building blocks and mode of DNA functionalization.

  11. Adaptive liquid crystal iris

    NASA Astrophysics Data System (ADS)

    Zhou, Zuowei; Ren, Hongwen; Nah, Changwoon

    2014-09-01

    We report an adaptive iris using a twisted nematic liquid crystal (TNLC) and a hole-patterned electrode. When an external voltage is applied to the TNLC, the directors of the LC near the edge of the hole are unwound first. Increasing the voltage can continuously unwind the LC toward the center. When the TNLC is sandwiched between two polarizers, it exhibits an iris-like character. Either a normal mode or a reverse mode can be obtained depending on the orientations of the transmission axes of the two polarizers. In contrast to liquid irises, the aperture of the LC iris can be closed completely. Moreover, it has the advantages of large variability of the aperture diameter, good stability, and low power consumption. Applications of the device for controlling the laser energy and correcting optical aberration are foreseeable.

  12. Natural photonic crystals

    NASA Astrophysics Data System (ADS)

    Vigneron, Jean Pol; Simonis, Priscilla

    2012-10-01

    Photonic structures appeared in nature several hundred millions years ago. In the living world, color is used for communication and this important function strongly impacts the individual chances of survival as well as the chances to reproduce. This has a statistical influence on species populations. Therefore, because they are involved in evolution, natural color-generating structures are - from some point of view - highly optimized. In this short review, a survey is presented of the development of natural photonic crystal-type structures occurring in insects, spiders, birds, fishes and other marine animals, in plants and more, from the standpoint of light-waves propagation. One-, two-, and three-dimensional structures will be reviewed with selected examples.

  13. Crystal structure of mandipropamid.

    PubMed

    Park, Hyunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-10-01

    In the title compound, C23H22ClNO4 (systematic name: (RS)-2-(4-chloro-phen-yl)-N-{2-[3-meth-oxy-4-(prop-2-yn-1-yl-oxy)phen-yl]eth-yl}-2-(prop-2-yn-yloxy)acetamide), an amide fungicide, the dihedral angle between the chloro-benzene and benzene rings is 65.36 (6)°. In the crystal, N-H⋯O hydrogen bonds lead to zigzag supra-molecular chains along the c axis (glide symmetry). These are connected into layers by C-H⋯O and C-H⋯π inter-actions; the layers stack along the a axis with no specific inter-molecular inter-actions between them.

  14. Crystal structure of fluroxypyr

    PubMed Central

    Park, Hyunjin; Choi, Myong Yong; Kwon, Eunjin; Kim, Tae Ho

    2016-01-01

    In the title pyridine herbicide {systematic name: 2-[(4-amino-3,5-di­chloro-6-fluoro­pyridin-2-yl)­oxy]acetic acid}, C7H5Cl2FN2O3, the mean plane of the carb­oxy­lic acid substituent and the pyridyl ring plane subtend a dihedral angle of 77.5 (1)°. In the crystal, pairs of O—H⋯O hydrogen bonds form inversion dimers with R 2 2(8) ring motifs. These are extended into chains along [011] by N—H⋯F hydrogen bonds. In addition, inter­molecular N—H⋯O hydrogen bonds and weak π–π inter­actions [ring centroid separation = 3.4602 (9) Å] connect these chains into a three-dimensional network. PMID:27980844

  15. Crystal structure of flumioxazin

    PubMed Central

    Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound {systematic name: 2-[7-fluoro-3,4-di­hydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetra­hydro-1H-iso­indole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the male­imide and benzene ring planes is 66.13 (5)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds and weak C—H⋯π inter­actions [3.5601 (19) Å] link adjacent mol­ecules, forming two-dimensional networks extending parallel to the (110) plane. PMID:26594468

  16. Lamella settler crystallizer

    DOEpatents

    Maimoni, Arturo

    1990-01-01

    A crystallizer which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities.

  17. Lamella settler crystallizer

    DOEpatents

    Maimoni, A.

    1990-12-18

    A crystallizer is described which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities. 3 figs.

  18. Frequency mixing crystal

    DOEpatents

    Ebbers, Christopher A.; Davis, Laura E.; Webb, Mark

    1992-01-01

    In a laser system for converting infrared laser light waves to visible light comprising a source of infrared laser light waves and means of harmoic generation associated therewith for production of light waves at integral multiples of the frequency of the original wave, the improvement of said means of harmonic generation comprising a crystal having the chemical formula X.sub.2 Y(NO.sub.3).sub.5 .multidot.2 nZ.sub.2 o wherein X is selected from the group consisting of Li, Na, K, Rb, Cs, and Tl; Y is selected from the group consisting of Sc, Y, La, Ce, Nd, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Al, Ga, and In; Z is selected from the group consisting of H and D; and n ranges from 0 to 4.

  19. Development of single crystal membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Cocks, F. H.

    1972-01-01

    The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.

  20. Modeling liquid crystal polymeric devices

    NASA Astrophysics Data System (ADS)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  1. Bacterial Ice Crystal Controlling Proteins

    PubMed Central

    Lorv, Janet S. H.; Rose, David R.; Glick, Bernard R.

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions. PMID:24579057

  2. Texturing studies on ? bulk crystals

    NASA Astrophysics Data System (ADS)

    Prabhakaran, D.; Subramanian, C.

    1998-08-01

    Textured crystals of 0953-2048/11/8/013/img2 have been grown by the platinum strip heater-floating zone technique. Texturing ratio and phase purity (Bi-2212) of the grown crystals were calculated from the x-ray diffraction data. Chemical compositions of the grown crystals were quantified from the inductively coupled plasma analysis. 0953-2048/11/8/013/img3 was found to be increased by 2 K for a lower level of substitution and a superconductor to semiconductor transition was observed for the higher order Y substitution. Oxygen stoichiometries of the Y substituted crystals were quantified from the iodometry titration method. Micro-twinning along the growth axis was revealed during etching studies for the cleaved crystals.

  3. Bacterial ice crystal controlling proteins.

    PubMed

    Lorv, Janet S H; Rose, David R; Glick, Bernard R

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions.

  4. Polymeric photonic crystals

    NASA Astrophysics Data System (ADS)

    Fink, Yoel

    Two novel and practical methods for controlling the propagation of light are presented: First, a design criterion that permits truly omnidirectional reflectivity for all polarizations of incident light over a wide selectable range of frequencies is derived and used in fabricating an alldielectric omnidirectional reflector consisting of multilayer films. Because the omnidirectionality criterion is general, it can be used to design omnidirectional reflectors in many frequency ranges of interest. Potential uses depend on the geometry of the system. For example, coating of an enclosure will result in an optical cavity. A hollow tube will produce a low-loss, broadband waveguide, planar film could be used as an efficient radiative heat barrier or collector in thermoelectric devices. A comprehensive framework for creating one-, two- and three-dimensional photonic crystals out of self- assembling block copolymers has been formulated. In order to form useful band gaps in the visible regime, periodic dielectric structures made of typical block copolymers need to be modified to obtain appropriate characteristic distances and dielectric constants. Moreover, the absorption and defect concentration must also be controlled. This affords the opportunity to tap into the large structural repertoire, the flexibility and intrinsic tunability that these self-assembled block copolymer systems offer. A block copolymer was used to achieve a self assembled photonic band gap in the visible regime. By swelling the diblock copolymer with lower molecular weight constituents control over the location of the stop band across the visible regime is achieved. One and three- dimensional crystals have been formed by changing the volume fraction of the swelling media. Methods for incorporating defects of prescribed dimensions into the self-assembled structures have been explored leading to the construction of a self assembled microcavity light- emitting device. (Copies available exclusively from MIT

  5. Crystallization of Biological Macromolecules in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Chayen, N. E.; Helliwell, J. R.

    2000-01-01

    An overview of microgravity crystallization explaining why microgravity is used, factors which affect crystallization, the method of crystallization and the environment itself. Also covered is how best to make use of microgravity and what the future might hold.

  6. Growing single crystals in silica gel

    NASA Technical Reports Server (NTRS)

    Rubin, B.

    1970-01-01

    Two types of chemical reactions for crystal growing are discussed. The first is a metathetical reaction to produce calcium tartrate tetrahydrate crystals, the second is a decomplexation reaction to produce cuprous chloride crystals.

  7. Crystallization of Biological Macromolecules in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Chayen, N. E.; Helliwell, J. R.

    2000-01-01

    An overview of microgravity crystallization explaining why microgravity is used, factors which affect crystallization, the method of crystallization and the environment itself. Also covered is how best to make use of microgravity and what the future might hold.

  8. Effects of impurities on crystal growth in fructose crystallization

    NASA Astrophysics Data System (ADS)

    Chu, Y. D.; Shiau, L. D.; Berglund, K. A.

    1989-10-01

    The influence of impurities on the crystallization of anhydrous fructose from aqueous solution was studied. The growth kinetics of fructose crystals in the fructose-water-glucose and fructose-water-difructose dianhydrides systems were investigated using photomicroscopic contact nucleation techniques. Glucose is the major impurity likely to be present in fructose syrup formed during corn wet milling, while several difructose dianhydrides are formed in situ under crystallization conditions and have been proposed as a cause in the decrease of overall yields. Both sets of impurities were found to cause inhibition of crystal growth, but the mechanisms responsible in each case are different. It was found that the presence of glucose increases the solubility of fructose in water and thus lowers the supersaturation of the solution. This is probably the main effect responsible for the decrease of crystal growth. Since the molecular structures of difructose dianhydrides are similar to that of fructose, they are probably "tailor-made" impurities. The decrease of crystal growth is probably caused by the incorporation of these impurities into or adsorption to the crystal surface which would accept fructose molecules in the orientation that existed in the difructose dianhydride.

  9. [Crystal growth and spectroscopy of Er/Yb:KGW crystal].

    PubMed

    Zhu, Zhao-jie; Tu, Chao-yang; Li, Jian-fu; Wu, Bai-chang; Huang, Yan

    2005-09-01

    The Er3 /Yb3+:KGW crystal with the dimensions of 30 mm x 25 mm x 15 mm was grown from K2W2O7 solvent by modified Czochralski method. The absorption spectrum was measured at room temperature and its absorption peaks were assigned. The emission spectrum was obtained under the excitation of 980 nm. There are two broad emission bands at 1024 and 1535 nm, whose FHWM are 60 and 36 nm respectively. It shows that this crystal is suitable for InGaAs LD pumping, and may be a promising laser crystal tunable at near 1 024 and 1 535 nm.

  10. Wave phenomena in phononic crystals

    NASA Astrophysics Data System (ADS)

    Sukhovich, Alexey

    Novel wave phenomena in two- and three-dimensional (2D and 3D) phononic crystals were investigated experimentally using ultrasonic techniques. These ultrasonic techniques allow the full wave field to be imaged directly, which is a considerable advantage in fundamental studies of wave propagation in periodic media. Resonant tunnelling of ultrasonic waves was successfully observed for the first time by measuring the transmission of ultrasound pulses through a double barrier consisting of two 3D phononic crystals separated by a cavity. This effect is the classical analogue of resonant tunnelling of a quantum mechanical particle through a double potential barrier, in which transmission reaches unity at resonant frequencies. For phononic crystals, the tunnelling peak was found to be less than unity, an effect that was explained by absorption. Absorption introduces a small propagating component inside the crystals in addition to the dominant evanescent mode at band gap frequencies, and causes leakage of the pulse from the cavity. The dynamics of resonant tunnelling was explored by measuring the group velocities of the ultrasonic pulses. Very slow and very fast velocities were found at frequencies close to and at the resonance, respectively. These extreme values are less than the speed of sound in air and greater than the speed of sound in any of the crystal's constituent materials. Negative refraction and focusing effects in 2D phononic crystals were also observed. Negative refraction of ultrasound was demonstrated unambiguously in a prism-shaped 2D crystal at frequencies in the 2nd pass band, where the equifrequency contours are circular so that the wave vector and group velocity are antiparallel. The Multiple Scattering Theory and Snell's law allowed theoretical predictions of the refraction angles. Excellent agreement was found between theory and experiment. The negative refraction experiments revealed a mechanism that can be used to focus ultrasound using a flat

  11. Influence of crystallizing and non-crystallizing cosolutes on trehalose crystallization during freeze-drying.

    PubMed

    Sundaramurthi, Prakash; Suryanarayanan, Raj

    2010-11-01

    To study the influence of crystallizing and non-crystallizing cosolutes on the crystallization behavior of trehalose in frozen solutions and to monitor the phase behavior of trehalose dihydrate and mannitol hemihydrate during drying. Trehalose (a lyoprotectant) and mannitol (a bulking agent) are widely used as excipients in freeze-dried formulations. Using differential scanning calorimetry (DSC) and X-ray diffractometry (XRD), the crystallization behavior of trehalose in the presence of (i) a crystallizing (mannitol), (ii) a non-crystallizing (sucrose) solute and (iii) a combination of mannitol and a model protein (lactose dehydrogenase, catalase, or lysozyme) was evaluated. By performing the entire freeze-drying cycle in the sample chamber of the XRD, the phase behavior of trehalose and mannitol were simultaneously monitored. When an aqueous solution containing trehalose (4% w/v) and mannitol (2% w/v) was cooled to -40°C at 0.5°C/min, hexagonal ice was the only crystalline phase. However, upon warming the sample to the annealing temperature (-18°C), crystallization of mannitol hemihydrate was readily evident. After 3 h of annealing, the characteristic XRD peaks of trehalose dihydrate were also observed. The DSC heating curve of frozen and annealed solution showed two overlapping endotherms, attributed by XRD to the sequential melting of trehalose dihydrate-ice and mannitol hemihydrate-ice eutectics, followed by ice melting. While mannitol facilitated trehalose dihydrate crystallization, sucrose completely inhibited it. In the presence of protein (2 mg/ml), trehalose crystallization required a longer annealing time. When the freeze-drying was performed in the sample chamber of the diffractometer, drying induced the dehydration of trehalose dihydrate to amorphous anhydrate. However, the final lyophiles prepared in the laboratory lyophilizer contained trehalose dihydrate and mannitol hemihydrate. Using XRD and DSC, the sequential crystallization of ice, mannitol

  12. THE CRYSTAL STRUCTURE OF DIPHENYLTELLURIUM DIBROMIDE,

    DTIC Science & Technology

    TELLURIUM COMPOUNDS, *ORGANOMETALLIC COMPOUNDS, CRYSTAL STRUCTURE , CRYSTAL STRUCTURE , BROMIDES, SYMMETRY(CRYSTALLOGRAPHY), X RAY DIFFRACTION, FOURIER ANALYSIS, LEAST SQUARES METHOD, MOLECULAR STRUCTURE, CHEMICAL BONDS.

  13. Anti-solvent crystallization of L-threonine in Taylor crystallizers and MSMPR crystallizer: Effect of fluid dynamic motions on crystal size, shape, and recovery

    NASA Astrophysics Data System (ADS)

    Lee, Sooyun; Lee, Choul-Ho; Kim, Woo-Sik

    2017-07-01

    The influence of the fluid dynamic motions of a periodic Taylor vortex and random turbulent eddy on the anti-solvent crystallization of L-threonine was investigated. The Taylor vortex flow and random turbulent eddy flow were generated by the inner cylinder rotation in a Couette-Taylor (CT) crystallizer and the impeller agitation in a mixed-suspension mixed product removal (MSMPR) crystallizer, respectively. Furthermore, the circumferentially sinusoidal fluctuation of a Taylor vortex was induced in an elliptical Couette-Taylor (ECT) crystallizer . The periodic Taylor vortex flows in the CT and ECT crystallizers resulted in a smaller crystal size and higher crystal recovery ratio of L-threonine than the random turbulent flow in the MSMPR crystallizer due to induction of a higher supersaturation, resulting in a higher nucleation in the CT and ECT crystallizers than in the MSMPR crystallizer. Thus, the crystal size was reduced and the crystal recovery ratio enhanced when increasing the rotation/agitation speed and feed flow rate in the CT, ECT, and MSMPR crystallizers. When increasing the temperature, the crystal size and crystal recovery ratio were both increased due an enhanced mass transfer for crystal growth. The crystal morphology changes according to the fluid dynamic motion with various crystallization conditions were well correlated in terms of the supersaturation.

  14. Crystallization of lactose from carbopol gels.

    PubMed

    Zeng, X M; Martin, G P; Marriott, C; Pritchard, J

    2000-07-01

    To crystallize lactose under static conditions with a view to preparing crystals of well-defined morphology. et-Lactose monohydrate was crystallized from neutralized Carbopol 934 gels. When the majority of crystals had grown to maturity, the gels were acidified using diluted hydrochloric acid and the crystals were harvested by filtration or centrifugation and washed with ethanol-water mixtures. Crystals prepared from the gel had a consistently narrower size distribution than control crystals, prepared from solution under constant stirring. If crystallization was effected in the gel without sedimentation of the crystals, then the resultant crystals had smooth surfaces without visually detectable surface roughness or asperities viewed by optical microscopy. The crystals from Carbopol gels also exhibited the uniform shape of an elongated tomahawk regardless of the crystallization conditions, in contrast to crystallization under constant stirring, where the crystal shape of lactose changed with crystallization conditions especially as a function of the initial concentration of lactose. All batches of lactose crystals prepared from Carbopol gels existed as alpha-lactose monohydrate, which showed better flowability than the controls of a similar particle size. Crystallization from Carbopol gel produces lactose crystals of uniform size, regular shape, smooth surface, and improved flowability.

  15. Crystallization of copper metaphosphate glass

    NASA Technical Reports Server (NTRS)

    Bae, Byeong-Soo; Weinberg, Michael C.

    1993-01-01

    The effect of the valence state of copper in copper metaphosphate glass on the crystallization behavior and glass transition temperature has been investigated. The crystallization of copper metaphosphate is initiated from the surface and its main crystalline phase is copper metaphosphate (Cu(PO)3),independent of the (Cu sup 2+)/(Cu(total)). However, the crystal morphology, the relative crystallization rates, and their temperature dependences are affected by the (Cu sup 2+)/(Cu (total)) ratio in the glass. On the other hand, the totally oxidized glass crystallizes from all over the surface. The relative crystallization rate of the reduced glass to the totally oxidized glass is large at low temperature, but small at high temperature. The glass transition temperature of the glass increases as the (Cu sup 2+)/(Cu(total)) ratio is raised. It is also found that the atmosphere used during heat treatment does not influence the crystallization of the reduced glass, except for the formation of a very thin CuO surface layer when heated in air.

  16. Spatial filtering with photonic crystals

    SciTech Connect

    Maigyte, Lina; Staliunas, Kestutis

    2015-03-15

    Photonic crystals are well known for their celebrated photonic band-gaps—the forbidden frequency ranges, for which the light waves cannot propagate through the structure. The frequency (or chromatic) band-gaps of photonic crystals can be utilized for frequency filtering. In analogy to the chromatic band-gaps and the frequency filtering, the angular band-gaps and the angular (spatial) filtering are also possible in photonic crystals. In this article, we review the recent advances of the spatial filtering using the photonic crystals in different propagation regimes and for different geometries. We review the most evident configuration of filtering in Bragg regime (with the back-reflection—i.e., in the configuration with band-gaps) as well as in Laue regime (with forward deflection—i.e., in the configuration without band-gaps). We explore the spatial filtering in crystals with different symmetries, including axisymmetric crystals; we discuss the role of chirping, i.e., the dependence of the longitudinal period along the structure. We also review the experimental techniques to fabricate the photonic crystals and numerical techniques to explore the spatial filtering. Finally, we discuss several implementations of such filters for intracavity spatial filtering.

  17. Crystallization of copper metaphosphate glass

    NASA Technical Reports Server (NTRS)

    Bae, Byeong-Soo; Weinberg, Michael C.

    1993-01-01

    The effect of the valence state of copper in copper metaphosphate glass on the crystallization behavior and glass transition temperature has been investigated. The crystallization of copper metaphosphate is initiated from the surface and its main crystalline phase is copper metaphosphate (Cu(PO)3),independent of the (Cu sup 2+)/(Cu(total)). However, the crystal morphology, the relative crystallization rates, and their temperature dependences are affected by the (Cu sup 2+)/(Cu (total)) ratio in the glass. On the other hand, the totally oxidized glass crystallizes from all over the surface. The relative crystallization rate of the reduced glass to the totally oxidized glass is large at low temperature, but small at high temperature. The glass transition temperature of the glass increases as the (Cu sup 2+)/(Cu(total)) ratio is raised. It is also found that the atmosphere used during heat treatment does not influence the crystallization of the reduced glass, except for the formation of a very thin CuO surface layer when heated in air.

  18. Pressure sensor using liquid crystals

    NASA Technical Reports Server (NTRS)

    Parmar, Devendra S. (Inventor); Holmes, Harlan K. (Inventor)

    1994-01-01

    A pressure sensor includes a liquid crystal positioned between transparent, electrically conductive films (18 and 20), that are biased by a voltage (V) which induces an electric field (E) that causes the liquid crystal to assume a first state of orientation. Application of pressure (P) to a flexible, transparent film (24) causes the conductive film (20) to move closer to or farther from the conductive film (18), thereby causing a change in the electric field (E'(P)) which causes the liquid crystal to assume a second state of orientation. Polarized light (P.sub.1) is directed into the liquid crystal and transmitted or reflected to an analyzer (A or 30). Changes in the state of orientation of the liquid crystal induced by applied pressure (P) result in a different light intensity being detected at the analyzer (A or 30) as a function of the applied pressure (P). In particular embodiments, the liquid crystal is present as droplets (10) in a polymer matrix (12) or in cells (14) in a polymeric or dielectric grid (16) material in the form of a layer (13) between the electrically conductive films (18 and 20). The liquid crystal fills the open wells in the polymer matrix (12) or grid (16) only partially.

  19. Photonic crystal enhanced cytokine immunoassay.

    PubMed

    Mathias, Patrick C; Ganesh, Nikhil; Cunningham, Brian T

    2009-01-01

    Photonic crystal surfaces are demonstrated as a means for enhancing the detection sensitivity and resolution for assays that use a fluorescent tag to quantify the concentration of an analyte protein molecule in a liquid test sample. Computer modeling of the spatial distribution of resonantly coupled electromagnetic fields on the photonic crystal surface are used to estimate the magnitude of enhancement factor compared to performing the same fluorescent assay on a plain glass surface, and the photonic crystal structure is fabricated and tested to experimentally verify the performance using a sandwich immunoassay for the protein Tumor Necrosis Factor-alpha (TNF-alpha). The demonstrated photonic crystal fabrication method utilizes a nanoreplica molding technique that allows for large-area inexpensive fabrication of the structure in a format that is compatible with confocal microarray laser scanners. The signal-to-noise ratio for fluorescent spots on the photonic crystal is increased by at least five-fold relative to the glass slide, allowing a TNF-alpha concentration of 1.6 pg/ml to be distinguished from noise on a photonic crystal surface. In addition, the minimum quantitative limit of detection on the photonic crystal surface is one-third the limit on the glass slide - a decrease from 18 pg/ml to 6 pg/ml. The increased performance of the immunoassay allows for more accurate quantitation of physiologically relevant concentrations of TNF-alpha in a protein microarray format that can be expanded to multiple cytokines.

  20. Crystal ball single event display

    SciTech Connect

    Grosnick, D.; Gibson, A.; Allgower, C.; Alyea, J. |

    1997-10-15

    The Single Event Display (SED) is a routine that is designed to provide information graphically about a triggered event within the Crystal Ball. The SED is written entirely in FORTRAN and uses the CERN-based HICZ graphing package. The primary display shows the amount of energy deposited in each of the NaI crystals on a Mercator-like projection of the crystals. Ten different shades and colors correspond to varying amounts of energy deposited within a crystal. Information about energy clusters is displayed on the crystal map by outlining in red the thirteen (or twelve) crystals contained within a cluster and assigning each cluster a number. Additional information about energy clusters is provided in a series of boxes containing useful data about the energy distribution among the crystals within the cluster. Other information shown on the event display include the event trigger type and data about {pi}{sup o}`s and {eta}`s formed from pairs of clusters as found by the analyzer. A description of the major features is given, along with some information on how to install the SED into the analyzer.

  1. Dichroic Liquid Crystal Displays

    NASA Astrophysics Data System (ADS)

    Bahadur, Birendra

    The following sections are included: * INTRODUCTION * DICHROIC DYES * Chemical Structure * Chemical and Photochemical Stability * THEORETICAL MODELLING * DEFECTS CAUSED BY PROLONGED LIGHT IRRADIATION * CHEMICAL STRUCTURE AND PHOTOSTABILITY * OTHER PARAMETERS AFFECTING PHOTOSTABILITY * CELL PREPARATION * DICHROIC PARAMETERS AND THEIR MEASUREMENTS * Order Parameter and Dichroic Ratio Of Dyes * Absorbance, Order Parameter and Dichroic Ratio Measurements * IMPACT OF DYE STRUCTURE AND LIQUID CRYSTAL HOST ON PHYSICAL PROPERTIES OF A DICHROIC MIXTURE * Order Parameter and Dichroic Ratio * EFFECT OF LENGTH OF DICHROIC DYES ON THE ORDER PARAMETER * EFFECT OF THE BREADTH OF DYE ON THE ORDER PARAMETER * EFFECT OF THE HOST ON THE ORDER PARAMETER * TEMPERATURE VARIATION OF THE ORDER PARAMETER OF DYES IN A LIQUID CRYSTAL HOST * IMPACT OF DYE CONCENTRATION ON THE ORDER PARAMETER * Temperature Range * Viscosity * Dielectric Constant and Anisotropy * Refractive Indices and Birefringence * solubility43,153-156 * Absorption Wavelength and Auxochromic Groups * Molecular Engineering of Dichroic Dyes * OPTICAL, ELECTRO-OPTICAL AND LIFE PARAMETERS * Colour And CIE Colour space120,160-166 * CIE 1931 COLOUR SPACE * CIE 1976 CHROMATICITY DIAGRAM * CIE UNIFORM COLOUR SPACES & COLOUR DIFFERENCE FORMULAE120,160-166 * Electro-Optical Parameters120 * LUMINANCE * CONTRAST AND CONTRAST RATIO * SWITCHING SPEED * Life Parameters and Failure Modes * DICHROIC MIXTURE FORMULATION * Monochrome Mixture * Black Mixture * ACHROMATIC BLACK MIXTURE FOR HEILMEIER DISPLAYS * Effect of Illuminant on Display Colour * Colour of the Field-On State * Effect of Dye Linewidth * Optimum Centroid Wavelengths * Effect of Dye Concentration * Mixture Formulation Using More Than Three Dyes * ACHROMATIC MIXTURE FOR WHITE-TAYLOR TYPE DISPLAYS * HEILMEIER DISPLAYS * Theoretical Modelling * Threshold Characteristic * Effects of Dye Concentration on Electro-optical Parameters * Effect of Cholesteric Doping * Effect of Alignment

  2. Spherical colloidal photonic crystals.

    PubMed

    Zhao, Yuanjin; Shang, Luoran; Cheng, Yao; Gu, Zhongze

    2014-12-16

    CONSPECTUS: Colloidal photonic crystals (PhCs), periodically arranged monodisperse nanoparticles, have emerged as one of the most promising materials for light manipulation because of their photonic band gaps (PBGs), which affect photons in a manner similar to the effect of semiconductor energy band gaps on electrons. The PBGs arise due to the periodic modulation of the refractive index between the building nanoparticles and the surrounding medium in space with subwavelength period. This leads to light with certain wavelengths or frequencies located in the PBG being prohibited from propagating. Because of this special property, the fabrication and application of colloidal PhCs have attracted increasing interest from researchers. The most simple and economical method for fabrication of colloidal PhCs is the bottom-up approach of nanoparticle self-assembly. Common colloidal PhCs from this approach in nature are gem opals, which are made from the ordered assembly and deposition of spherical silica nanoparticles after years of siliceous sedimentation and compression. Besides naturally occurring opals, a variety of manmade colloidal PhCs with thin film or bulk morphology have also been developed. In principle, because of the effect of Bragg diffraction, these PhC materials show different structural colors when observed from different angles, resulting in brilliant colors and important applications. However, this angle dependence is disadvantageous for the construction of some optical materials and devices in which wide viewing angles are desired. Recently, a series of colloidal PhC materials with spherical macroscopic morphology have been created. Because of their spherical symmetry, the PBGs of spherical colloidal PhCs are independent of rotation under illumination of the surface at a fixed incident angle of the light, broadening the perspective of their applications. Based on droplet templates containing colloidal nanoparticles, these spherical colloidal PhCs can be

  3. Current trends in protein crystallization.

    PubMed

    Gavira, José A

    2016-07-15

    Proteins belong to the most complex colloidal system in terms of their physicochemical properties, size and conformational-flexibility. This complexity contributes to their great sensitivity to any external change and dictate the uncertainty of crystallization. The need of 3D models to understand their functionality and interaction mechanisms with other neighbouring (macro)molecules has driven the tremendous effort put into the field of crystallography that has also permeated other fields trying to shed some light into reluctant-to-crystallize proteins. This review is aimed at revising protein crystallization from a regular-laboratory point of view. It is also devoted to highlight the latest developments and achievements to produce, identify and deliver high-quality protein crystals for XFEL, Micro-ED or neutron diffraction. The low likelihood of protein crystallization is rationalized by considering the intrinsic polypeptide nature (folded state, surface charge, etc) followed by a description of the standard crystallization methods (batch, vapour diffusion and counter-diffusion), including high throughput advances. Other methodologies aimed at determining protein features in solution (NMR, SAS, DLS) or to gather structural information from single particles such as Cryo-EM are also discussed. Finally, current approaches showing the convergence of different structural biology techniques and the cross-methodologies adaptation to tackle the most difficult problems, are presented. Current advances in biomacromolecules crystallization, from nano crystals for XFEL and Micro-ED to large crystals for neutron diffraction, are covered with special emphasis in methodologies applicable at laboratory scale. Copyright © 2015 Elsevier Inc. All rights reserved.

  4. Changes in copper sulfate crystal habit during cooling crystallization

    NASA Astrophysics Data System (ADS)

    Giulietti, M.; Seckler, M. M.; Derenzo, S.; Valarelli, J. V.

    1996-09-01

    The morphology of technical grade copper(II) sulfate pentahydrate crystals produced from batch cooling experiments in the temperature range of 70 to 30°C is described and correlated with the process conditions. A slow linear cooling rate (batch time of 90 min) predominantly caused the appearance of well-formed crystals. Exponential cooling (120 min) resulted in the additional formation of agglomerates and twins. The presence of seeds for both cooling modes led to round crystals, agglomerates and twins. Fast linear cooling (15 min) gave rise to a mixture of the former types. Broken crystals and adhering fragments were often found. Growth zoning was pronounced in seeded and linear cooling experiments. Fluid inclusions were always found and were more pronounced for larger particles. The occurrence of twinning, zoning and fluid inclusions was qualitatively explained in terms of fundamental principles.

  5. Crystal cataracts: Human genetic cataract caused by protein crystallization

    NASA Astrophysics Data System (ADS)

    Pande, Ajay; Pande, Jayanti; Asherie, Neer; Lomakin, Aleksey; Ogun, Olutayo; King, Jonathan; Benedek, George B.

    2001-05-01

    Several human genetic cataracts have been linked recently to point mutations in the D crystallin gene. Here we provide a molecular basis for lens opacity in two genetic cataracts and suggest that the opacity occurs because of the spontaneous crystallization of the mutant proteins. Such crystallization of endogenous proteins leading to pathology is an unusual event. Measurements of the solubility curves of crystals of the Arg-58 to His and Arg-36 to Ser mutants of D crystallin show that the mutations dramatically lower the solubility of the protein. Furthermore, the crystal nucleation rate of the mutants is enhanced considerably relative to that of the wild-type protein. It should be noted that, although there is a marked difference in phase behavior, there is no significant difference in protein conformation among the three proteins.

  6. Configurable silicon photonic crystal waveguides

    SciTech Connect

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-23

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  7. Multicolor photonic crystal laser array

    SciTech Connect

    Wright, Jeremy B; Brener, Igal; Subramania, Ganapathi S; Wang, George T; Li, Qiming

    2015-04-28

    A multicolor photonic crystal laser array comprises pixels of monolithically grown gain sections each with a different emission center wavelength. As an example, two-dimensional surface-emitting photonic crystal lasers comprising broad gain-bandwidth III-nitride multiple quantum well axial heterostructures were fabricated using a novel top-down nanowire fabrication method. Single-mode lasing was obtained in the blue-violet spectral region with 60 nm of tuning (or 16% of the nominal center wavelength) that was determined purely by the photonic crystal geometry. This approach can be extended to cover the entire visible spectrum.

  8. Sonic crystal acoustic switch device.

    PubMed

    Alagoz, Serkan; Alagoz, Baris Baykant

    2013-06-01

    This study reports a wave-controlled sonic crystal switch device that exhibits a destructive interference-based wave to wave reverse switching effect. By applying control waves, this acoustic device, composed of a two-dimensional square lattice sonic crystal block, reduces acoustic wave transmission from input to output. The finite difference time domain simulation and experimental results confirm the wave-to-wave reverse switching effect at the peak frequencies of the second band. The proposed sonic crystal switch prototype provides a contrast rate of 86% at 11.3 kHz frequency. This wave-to-wave switching effect is useful for controlling wave propagation for smart structure applications.

  9. Automated protein crystal growth facility

    NASA Technical Reports Server (NTRS)

    Donald, Stacey

    1994-01-01

    A customer for the protein crystal growth facility fills the specially designed chamber with the correct solutions, fills the syringes with their quenching solutions, and submits the data needed for the proper growth of their crystal. To make sure that the chambers and syringes are filled correctly, a NASA representative may assist the customer. The data needed is the approximate growth time, the growth temperature, and the desired crystal size, but this data can be changed anytime from the ground, if needed. The chambers are gathered and placed into numbered slots in special drawers. Then, data is entered into a computer for each of the chambers. Technicians map out when each chamber's growth should be activated so that all of the chambers have enough time to grow. All of this data is up-linked to the space station when the previous growth session is over. Anti-vibrational containers need to be constructed for the high forces encountered during the lift off and the landing of the space shuttle, and though our team has not designed these containers, we do not feel that there is any reason why a suitable one could not be made. When the shuttle reaches the space station, an astronaut removes a drawer of quenched chambers from the growth facility and inserts a drawer of new chambers. All twelve of the drawers can be replaced in this fashion. The optical disks can also be removed this way. The old drawers are stored for the trip back to earth. Once inside the growth facility, a chamber is removed by the robot and placed in one of 144 active sites at a time previously picked by a technician. Growth begins when the chamber is inserted into an active site. Then, the sensing system starts to determine the size of the protein crystal. All during the crystal's growth, the customer can view the crystal and read all of the crystal's data, such as growth rate and crystal size. When the sensing system determines that the crystal has reached the predetermined size, the robot is

  10. Heterogeneous crystallization on tiny clusters

    NASA Astrophysics Data System (ADS)

    Jungblut, S.; Dellago, C.

    2011-12-01

    The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small pre-structured seeds is studied with transition interface path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of 13 particles arranged into a face-centered cubic structure enhance the crystallization rate by one order of magnitude, while icosahedrally ordered seeds do not change the reaction rate at all. We identify two distinct nucleation regimes —close to the seed and in the bulk. Crystallites formed close to the seed attach to it, if it has face-centered cubic structure, and grow around the seed, if its structure is icosahedral.

  11. Aperiodic crystals and superspace concepts.

    PubMed

    Janssen, T; Janner, A

    2014-08-01

    For several decades the lattice periodicity of crystals, as shown by Laue, was considered to be their essential property. In the early sixties of the last century compounds were found which for many reasons should be called crystals, but were not lattice periodic. This opened the field of aperiodic crystals. An overview of this development is given. Many materials of this kind were found, sometimes with very interesting properties. In the beginning the development was slow, but the number of structures of this type increased enormously. In the meantime hundreds of scientists have contributed to this field using a multi-disciplinary approach.

  12. Crystal growth and annealing method and apparatus

    DOEpatents

    Gianoulakis, Steven E.; Sparrow, Robert

    2001-01-01

    A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing. An embodiment of the present invention comprises a secondary heater incorporated into a conventional crystal growth and annealing apparatus. The secondary heater supplies heat to minimize the temperature gradients in the crystal during the annealing process. The secondary heater can mount near the bottom of the crucible to effectively maintain appropriate temperature gradients.

  13. The Biological Macromolecule Crystallization Database and NASA Protein Crystal Growth Archive.

    PubMed

    Gilliland, G L; Tung, M; Ladner, J

    1996-01-01

    The NIST/NASA/CARB Biological Macromolecule Crystallization Database (BMCD), NIST Standard Reference Database 21, contains crystal data and crystallization conditions for biological macromolecules. The database entries include data abstracted from published crystallographic reports. Each entry consists of information describing the biological macromolecule crystallized and crystal data and the crystallization conditions for each crystal form. The BMCD serves as the NASA Protein Crystal Growth Archive in that it contains protocols and results of crystallization experiments undertaken in microgravity (space). These database entries report the results, whether successful or not, from NASA-sponsored protein crystal growth experiments in microgravity and from microgravity crystallization studies sponsored by other international organizations. The BMCD was designed as a tool to assist x-ray crystallographers in the development of protocols to crystallize biological macromolecules, those that have previously been crystallized, and those that have not been crystallized.

  14. The Biological Macromolecule Crystallization Database and NASA Protein Crystal Growth Archive

    PubMed Central

    Gilliland, Gary L.; Tung, Michael; Ladner, Jane

    1996-01-01

    The NIST/NASA/CARB Biological Macromolecule Crystallization Database (BMCD), NIST Standard Reference Database 21, contains crystal data and crystallization conditions for biological macromolecules. The database entries include data abstracted from published crystallographic reports. Each entry consists of information describing the biological macromolecule crystallized and crystal data and the crystallization conditions for each crystal form. The BMCD serves as the NASA Protein Crystal Growth Archive in that it contains protocols and results of crystallization experiments undertaken in microgravity (space). These database entries report the results, whether successful or not, from NASA-sponsored protein crystal growth experiments in microgravity and from microgravity crystallization studies sponsored by other international organizations. The BMCD was designed as a tool to assist x-ray crystallographers in the development of protocols to crystallize biological macromolecules, those that have previously been crystallized, and those that have not been crystallized. PMID:11542472

  15. Structures beyond crystals

    NASA Astrophysics Data System (ADS)

    Hargittai, István

    2010-07-01

    Dan Shechtman made a seminal observation of the appearance on "non-crystallographic" symmetry in an alloy at the US National Bureau of Standards on April 8, 1982. This day has become known as the date of the discovery of quasicrystals. It was not easy to gain recognition for this discovery and the first printed report about it appeared two and a half years after the observation, which then was followed by an avalanche of publications. This was as if theoreticians and other experimentalists had only been waiting for a pioneer to come out with this revolutionary experiment. The discovery of quasicrystals just as the discovery of the structure of biological macromolecules was part of the development in which the framework of classical crystallography was crumbling and generalized crystallography—the science of structures—has emerged that had long been advanced by J. Desmond Bernal and his pupils. The discovery of quasicrystals offers some lessons about the nature of scientific discovery. This contribution presents selected aspects of the recognition of the importance of structures beyond crystals and is by far not a complete history of the areas involved.

  16. Crystal structure of pymetrozine

    PubMed Central

    Jeon, Youngeun; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-01-01

    The title compound, C10H11N5O {systematic name: 6-methyl-4-[(E)-(pyridin-3-yl­methyl­idene)amino]-4,5-di­hydro-1,2,4-triazin-3(2H)-one}, C10H11N5O, is used as an anti­feedant in pest control. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N—H⋯O, N—H⋯N, C—H⋯N and C—H⋯O hydrogen bonds, together with weak π–π inter­actions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings of A mol­ecules, generating a three-dimensional network. PMID:26279908

  17. Crystal structure of pymetrozine.

    PubMed

    Jeon, Youngeun; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho

    2015-07-01

    The title compound, C10H11N5O {systematic name: 6-methyl-4-[(E)-(pyridin-3-yl-methyl-idene)amino]-4,5-di-hydro-1,2,4-triazin-3(2H)-one}, C10H11N5O, is used as an anti-feedant in pest control. The asymmetric unit comprises two independent mol-ecules, A and B, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N-H⋯O, N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds, together with weak π-π inter-actions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings of A mol-ecules, generating a three-dimensional network.

  18. Crystallization of Magma Oceans

    NASA Astrophysics Data System (ADS)

    Cahill, B.; Roberts, J. H.; Hier-Majumder, S.

    2012-12-01

    In this work, we investigate the crystallization of subsurface oceans in icy satellites. As an ocean cools, the overlying ice shell thickens. The propagation velocity of the freezing front varies with position and time, and is controlled by the satellite's composition and orbital evolution. Of the four major energy sources; accretion, differentiation, radiogenic heating, and tides, only the latter two are considered active during the coupled thermal-structural-orbital evolution of the satellite. Tidal dissipation in the ice shell is calculated using TiRADE, a propagator matrix method, while FEM, a finite-element model with adaptive mesh refinement capability, is used to calculate thermal conduction within the ice shell. Our results indicate that concentration of tidal dissipation near the base of the ice shell slows down freezing of the ocean, especially near the pole. A dissipative ice shell acts as an insulating blanket atop the freezing ocean, a process we term "tidal blanketing". Tidal blanketing is strongest for satellites in high-eccentricity orbits, but even a modest amount of energy (a few MW for Triton) retained through tidal blanketing can sustain subsurface oceans over geologically relevant time periods. Subsurface fluid layers have been suggested as a source of material and energy for geyser activity in the polar regions of Triton, and in the South Polar Terrain of Enceladus. Tidal blanketing at the base of the ice shell can be used to explain the presence of such layers.

  19. Biological liquid crystal elastomers.

    PubMed Central

    Knight, David P; Vollrath, Fritz

    2002-01-01

    Liquid crystal elastomers (LCEs) have recently been described as a new class of matter. Here we review the evidence for the novel conclusion that the fibrillar collagens and the dragline silks of orb web spiders belong to this remarkable class of materials. Unlike conventional rubbers, LCEs are ordered, rather than disordered, at rest. The identification of these biopolymers as LCEs may have a predictive value. It may explain how collagens and spider dragline silks are assembled. It may provide a detailed explanation for their mechanical properties, accounting for the variation between different members of the collagen family and between the draglines in different spider species. It may provide a basis for the design of biomimetic collagen and dragline silk analogues by genetic engineering, peptide- or classical polymer synthesis. Biological LCEs may exhibit a range of exotic properties already identified in other members of this remarkable class of materials. In this paper, the possibility that other transversely banded fibrillar proteins are also LCEs is discussed. PMID:11911772

  20. Electrochemical Quartz Crystal Nanobalance

    NASA Astrophysics Data System (ADS)

    Inzelt, György

    The method of piezoelectric microgravimetry (nanogravimetry) using an electrochemical quartz crystal microbalance (EQCM) or nanobalance (EQCN) can be considered as a novel and much more sensitive version of electrogravimetry. The EQCN technique has become a widely used technique in several areas of electrochemistry, electroanalytical chemistry, bioelectrochemistry, etc. [1-10]. Obviously, mass changes occurring during adsorption, sorption, electrosorption, electrodeposition, or spontaneous deposition can be followed, which is very helpful for the elucidation of reaction mechanism via identification of the species accumulated on the surface. These investigations include metal and alloy deposition, underpotential deposition, electroplating, synthesis of conducting polymers by electropolymerization, adsorption of biologically active materials, and analytical determination of small ions and biomolecules. Of course, the opposite processes, i.e., spontaneous dissolution, electrodissolution, corrosion, can also be studied. Electrochemical oscillations, in which the formation and oxidation of chemisorbed molecular fragments play a determining role, have been studied, too. The majority of the investigations have been devoted to ion and solvent transport associated with the redox transformations of electrochemically active polymers. Similar studies have been carried out regarding polynuclear surface layers such as metal hexacyanometalates as well as inorganic and organic microcrystals of different compositions.

  1. Single Crystal Surfaces

    NASA Astrophysics Data System (ADS)

    Aguilar-Santillan, Joaquin

    2014-06-01

    The present work studies (0001) Al2O3 and (111) Al2MgO4 wetting with pure molten Al by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) under Ar at PO2 10-15 Pa. Al pure liquid wets a smooth and chemically homogeneous surface of an inert solid, the wetting driving force ( t, T) can be readily studied when surface solid roughness increases in the system. Both crystals planes (0001) Al2O3 and (111) Al2MgO4 have crystallographic surfaces with identical O-2 crystalline positions however considering Mg2+ content in Al2MgO4 structure may influence a reactive mode. Kinetic models results under similar experimental conditions show that Al wetting on (0001) Al2O3 is less reactive than (111) Al2MgO4, however at >1273 K (1000 °C) (0001) Al2O3 transformation occurs and a transition of wetting improves. The (111) Al2MgO4 and Al system promotes interface formations that slow its wetting process.

  2. Patterned Colloidal Photonic Crystals.

    PubMed

    Hou, Jue; Li, Mingzhu; Song, Yanlin

    2017-09-11

    Colloidal photonic crystals (PCs) have been well developed because they are easy-to-prepare, cost-effective, and versatile to be modified and functionalized. Patterned colloidal PCs contributes a novel approach to constructing high-performance PC devices with unique structures and specific functions. In this review, an overview of the strategies for fabricating patterned colloidal PCs, including patterned substrate induced assembly, inkjet printing, and selective immobilization and modification is presented. The advantages of patterned PC devices are also discussed in detail, for example, the detection sensitivity and response speed of sensors can be improved; the flow direction and wicking rate of the microfluidic channel can be well controlled; cross-reactive molecules can be recognized through array patterned microchip; the display devices with tunable pattern, well-arranged RGB unit, and wide viewing-angle can be fabricated; and several anti-counterfeiting devices with different security strategies can be constructed. Finally, the perspective of future developments and challenges is presented and widely exhibited. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Crystal growth in porous materials—I: The crystallization pressure of large crystals

    NASA Astrophysics Data System (ADS)

    Steiger, Michael

    2005-09-01

    A critical review of the existing literature on the pressure exerted by growing crystals in porous materials reveals that a number of different equations are in use. A derivation of an equation for the crystallization pressure based on the chemical potentials of the loaded and the unloaded faces of a growing crystal is provided. The equation obtained is compared to other equations available in the literature and the different approaches are discussed in detail. The treatment also includes the non-ideal behavior of the liquid phase using the ion interaction approach (Pitzer equations) which is well-established in solution thermodynamics. Incorporating the ion interaction equations in the crystallization pressure equation yields a quite simple expression that appears to be more convenient than previous treatments. The equation is applied to calculate crystallization pressures for supersaturated solutions of aqueous NaCl, NaNO 3, Na 2SO 4, and MgSO 4 including the various hydrated forms of these salts. Depending on the nature of the salt, neglecting the non-ideal behavior may cause considerable error in crystallization pressure calculations. Finally, it is emphasized that the basic assumption of non-uniform pressure is fundamental to understand the dynamics of crystallization pressure evolving in porous materials.

  4. Crystals and Crystals: On the Mythology of Magmatic Processes

    NASA Astrophysics Data System (ADS)

    Marsh, B.

    2008-12-01

    The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs

  5. PREPARATION OF REFRACTORY OXIDE CRYSTALS

    DOEpatents

    Grimes, W.R.; Shaffer, J.H.; Watson, G.M.

    1962-11-13

    A method is given for preparing uranium dioxide, thorium oxide, and beryllium oxide in the form of enlarged individual crystals. The surface of a fused alkali metal halide melt containing dissolved uranium, thorium, or beryllium values is contacted with a water-vapor-bearing inert gas stream at a rate of 5 to 10 cubic centimeters per minute per square centimeter of melt surface area. Growth of individual crystals is obtained by prolonged contact. Beryllium oxide-coated uranium dioxide crystals are prepared by disposing uranium dioxide crystals 5 to 20 microns in diameter in a beryllium-containing melt and contacting the melt with a water-vapor-bearing inert gas stream in the same manner. (AEC)

  6. Iron crystals in lunar breccias

    NASA Technical Reports Server (NTRS)

    Clanton, U. S.; Mckay, D. S.; Laughon, R. B.; Ladle, G. H.

    1973-01-01

    Many of the vugs in the highly recrystallized breccias from Apollos 14, 15, and 16 contain euhedral iron crystals. Three populations have been recognized based on crystal habit. In the first group the trapezohedron predominates and the cube faces are smaller. The second group is characterized by the cube as the dominant form; trapezohedron and tetrahexahedron faces are smaller and about equally developed. The dominant habit of the third group is the octahedron with smaller but equally developed cube and dodecahedron faces. Iron has been mobilized and redistributed in a vapor phase. The euhedral crystals, the abundant growth steps, and the open network of substrate crystals clearly support the concept of growth from a vapor-phase.

  7. Surface energies of elemental crystals.

    PubMed

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A; Ong, Shyue Ping

    2016-09-13

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal's equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials.

  8. Polaron stability in oligoacene crystals.

    PubMed

    Pereira Junior, Marcelo Lopes; Ribeiro Junior, Luiz Antonio

    2017-03-01

    The polaron stability in organic molecular crystals is theoretically investigated in the scope of a two-dimensional Holstein-Peierls model that includes lattice relaxation. Particularly, the investigation is focused on designing a model Hamiltonian that can address properly the polaron properties in different model oligoacene crystals. The findings showed that a suitable choice for a set of parameters can play the role of distinguishing the model crystals and, consequently, different properties related to the polaron stability in these systems are observed. Importantly, the usefulness of this model is stressed by investigating the electronic localization of the polaron, which provides a deeper understanding into the properties associated with the polaron stability in oligoacene crystals.

  9. Growth Defects in Biomacromolecular Crystals

    NASA Technical Reports Server (NTRS)

    2003-01-01

    NASA's ground based program confirmed close similarity between protein and small molecules crystal growth, but also revealed essential differences. No understanding exists as to why and when crystals grown in space are, in approx. 20 percent of cases, of higher quality. More rationale is needed in flight experiments. Ferritin crystals grown in space are 2.5 times cleaner than their terrestrial counterparts. This may occur because of the existence of a zone depleted with respect to impurities around a crystal growing in stagnant solution. This zone should appear since the distribution coefficient for homologous impurities exceeds unity. This impurity depletion zone hypothesis requires verification and development. Thorough purification from homologous impurities brought about resolution improvement from 2.6 to 1.8 angstroms for ferritin and from 2.6 to 2.0 angstroms for canavalin.

  10. Absence of Quantum Time Crystals.

    PubMed

    Watanabe, Haruki; Oshikawa, Masaki

    2015-06-26

    In analogy with crystalline solids around us, Wilczek recently proposed the idea of "time crystals" as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state or in the canonical ensemble of a general Hamiltonian, which consists of not-too-long-range interactions.

  11. Growth Defects in Biomacromolecular Crystals

    NASA Technical Reports Server (NTRS)

    2003-01-01

    NASA's ground based program confirmed close similarity between protein and small molecules crystal growth, but also revealed essential differences. No understanding exists as to why and when crystals grown in space are, in approx. 20 percent of cases, of higher quality. More rationale is needed in flight experiments. Ferritin crystals grown in space are 2.5 times cleaner than their terrestrial counterparts. This may occur because of the existence of a zone depleted with respect to impurities around a crystal growing in stagnant solution. This zone should appear since the distribution coefficient for homologous impurities exceeds unity. This impurity depletion zone hypothesis requires verification and development. Thorough purification from homologous impurities brought about resolution improvement from 2.6 to 1.8 angstroms for ferritin and from 2.6 to 2.0 angstroms for canavalin.

  12. Absence of Quantum Time Crystals

    NASA Astrophysics Data System (ADS)

    Watanabe, Haruki; Oshikawa, Masaki

    2015-06-01

    In analogy with crystalline solids around us, Wilczek recently proposed the idea of "time crystals" as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state or in the canonical ensemble of a general Hamiltonian, which consists of not-too-long-range interactions.

  13. Oscillatory growth for twisting crystals.

    PubMed

    Ibaraki, Shunsuke; Ise, Ryuta; Ishimori, Koichiro; Oaki, Yuya; Sazaki, Gen; Yokoyama, Etsuro; Tsukamoto, Katsuo; Imai, Hiroaki

    2015-05-18

    We demonstrate the oscillatory phenomenon for the twisting growth of a triclinic crystal through in situ observation of the concentration field around the growing tip of a needle by high-resolution phase-shift interferometry.

  14. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters.

  15. Radiating dipoles in photonic crystals

    PubMed

    Busch; Vats; John; Sanders

    2000-09-01

    The radiation dynamics of a dipole antenna embedded in a photonic crystal are modeled by an initially excited harmonic oscillator coupled to a non-Markovian bath of harmonic oscillators representing the colored electromagnetic vacuum within the crystal. Realistic coupling constants based on the natural modes of the photonic crystal, i.e., Bloch waves and their associated dispersion relation, are derived. For simple model systems, well-known results such as decay times and emission spectra are reproduced. This approach enables direct incorporation of realistic band structure computations into studies of radiative emission from atoms and molecules within photonic crystals. We therefore provide a predictive and interpretative tool for experiments in both the microwave and optical regimes.

  16. Crystal face temperature determination means

    DOEpatents

    Nason, Donald O.; Burger, Arnold

    1994-01-01

    An optically transparent furnace (10) having a detection apparatus (29) with a pedestal (12) enclosed in an evacuated ampule (16) for growing a crystal (14) thereon. Temperature differential is provided by a source heater (20), a base heater (24) and a cold finger (26) such that material migrates from a polycrystalline source material (18) to grow the crystal (14). A quartz halogen lamp (32) projects a collimated beam (30) onto the crystal (14) and a reflected beam (34) is analyzed by a double monochromator and photomultiplier detection spectrometer (40) and the detected peak position (48) in the reflected energy spectrum (44) of the reflected beam (34) is interpreted to determine surface temperature of the crystal (14).

  17. Crystal Structure of UGe 2

    NASA Astrophysics Data System (ADS)

    Oikawa, Kennichi; Kamiyama, Takashi; Asano, Hajime; Ōnuki, Yoshichika; Kohgi, Masahumi

    1996-10-01

    The crystal structure of UGe2 has been determined by the X-ray precession method and Rietveld analysis of neutron powder diffraction data. The crystal system is orthorhombic (space group Cmmm) with lattice parameters a=0.40089(1), b=1.50889(3) and c=0.40950(1) nm. The structure is isomorphic with one of the polymorphs of ThGe2.

  18. Protein crystallization apparatus for microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  19. Protein Crystallization Apparatus for Microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  20. Protein Crystal Recombinant Human Insulin

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The comparison of protein crystal, Recombiant Human Insulin; space-grown (left) and earth-grown (right). On STS-60, Spacehab II indicated that space-grown crystals are larger and of greater optical clarity than their earth-grown counterparts. Recombiant Human Insulin facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  1. Scientist prepare Lysozyme Protein Crystal

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Dan Carter and Charles Sisk center a Lysozyme Protein crystal grown aboard the USML-2 shuttle mission. Protein isolated from hen egg-white and functions as a bacteriostatic enzyme by degrading bacterial cell walls. First enzyme ever characterized by protein crystallography. It is used as an excellent model system for better understanding parameters involved in microgravity crystal growth experiments. The goal is to compare kinetic data from microgravity experiments with data from laboratory experiments to study the equilibrium.

  2. Protein Crystallization Apparatus for Microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  3. Protein crystallization apparatus for microgravity

    NASA Technical Reports Server (NTRS)

    2001-01-01

    The Protein Crystallization for Microgravity (DCAM) was developed at NASA's Marshall Space Flight Center. A droplet of solution with protein molecules dissolved in it is isolated in the center of a small well. In orbit, an elastomer seal is lifted so the solution can evaporate and be absorbed by a wick material. This raises the concentration of the solution, thus prompting protein molecules in the solution to form crystals. The principal investigator is Dr. Dan Carter of New Century Pharmaceuticals in Huntsville, AL.

  4. Protein Crystal Recombinant Human Insulin

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The comparison of protein crystal, Recombiant Human Insulin; space-grown (left) and earth-grown (right). On STS-60, Spacehab II indicated that space-grown crystals are larger and of greater optical clarity than their earth-grown counterparts. Recombiant Human Insulin facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  5. Scientist prepare Lysozyme Protein Crystal

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Dan Carter and Charles Sisk center a Lysozyme Protein crystal grown aboard the USML-2 shuttle mission. Protein isolated from hen egg-white and functions as a bacteriostatic enzyme by degrading bacterial cell walls. First enzyme ever characterized by protein crystallography. It is used as an excellent model system for better understanding parameters involved in microgravity crystal growth experiments. The goal is to compare kinetic data from microgravity experiments with data from laboratory experiments to study the equilibrium.

  6. Crystal sedimentation and stone formation.

    PubMed

    Baumann, Johannes Markus; Affolter, Beat; Meyer, Rolf

    2010-02-01

    Mechanisms of crystal collision being the first step of aggregation (AGN) were analyzed for calcium oxalate monohydrate (COM) directly produced in urine. COM was produced by oxalate titration in urine of seven healthy men, in solutions of urinary macromolecules and in buffered distilled water (control). Crystal formation and sedimentation were followed by a spectrophotometer and analyzed by scanning electron microscopy. Viscosity of urine was measured at 37 degrees C. From results, sedimentation rate (v (S)), particle diffusion (D) and incidences of collision of particles in suspension by sedimentation (I (S)) and by diffusion (I (D)) were calculated. Calculations were related to average volume and urinary transit time of renal collecting ducts (CD) and of renal pelvis. v (S) was in urine 0.026 +/- 0.012, in UMS 0.022 +/- 0.01 and in control 0.091 +/- 0.02 cm min(-1) (mean +/- SD). For urine, a D of 9.53 +/- 0.97 mum within 1 min can be calculated. At maximal crystal concentration, I (S) was only 0.12 and I (D) was 0.48 min(-1) cm(-3) which, even at an unrealistic permanent and maximal crystalluria, would only correspond to less than one crystal collision/week/CD, whereas to the same tubular wall being in horizontal position 1.3 crystals/min and to a renal stone 624 crystals/cm(2) min could drop by sedimentation. Sedimentation to renal tubular or pelvic wall, where crystals can accumulate and meet with a tissue calcification or a stone, is probably essential for stone formation. Since v (S) mainly depends on particle size, reducing urinary supersaturation and crystal growth by dietary oxalate restriction seems to be an important measure to prevent aggregation.

  7. Crystal growing from the melt

    NASA Technical Reports Server (NTRS)

    Davis, S. H.

    1987-01-01

    The mechanical and electrical properties of crystals produced by a unidirectional process depend strongly on the temperature and flow fields since these control the concentration of solute at the melt-crystal interface. The solute gradient there drives morphological instabilities that lead to cellular or dendritic interfaces. In the presentation several features of flow-solidification interactions will be discussed. These will include the effects of convection driven by density changes and buoyancy and the imposition of forced flow.

  8. Semiconductor crystal high resolution imager

    NASA Technical Reports Server (NTRS)

    Levin, Craig S. (Inventor); Matteson, James (Inventor)

    2011-01-01

    A radiation imaging device (10). The radiation image device (10) comprises a subject radiation station (12) producing photon emissions (14), and at least one semiconductor crystal detector (16) arranged in an edge-on orientation with respect to the emitted photons (14) to directly receive the emitted photons (14) and produce a signal. The semiconductor crystal detector (16) comprises at least one anode and at least one cathode that produces the signal in response to the emitted photons (14).

  9. Crystal engineering: a holistic view.

    PubMed

    Desiraju, Gautam R

    2007-01-01

    Crystal engineering, the design of molecular solids, is the synthesis of functional solid-state structures from neutral or ionic building blocks, using intermolecular interactions in the design strategy. Hydrogen bonds, coordination bonds, and other less directed interactions define substructural patterns, referred to in the literature as supramolecular synthons and secondary building units. Crystal engineering has considerable overlap with supramolecular chemistry, X-ray crystallography, materials science, and solid-state chemistry and yet it is a distinct discipline in itself. The subject goes beyond the traditional divisions of organic, inorganic, and physical chemistry, and this makes for a very eclectic blend of ideas and techniques. The purpose of this Review is to highlight some current challenges in this rapidly evolving subject. Among the topics discussed are the nature of intermolecular interactions and their role in crystal design, the sometimes diverging perceptions of the geometrical and chemical models for a molecular crystal, the relationship of these models to polymorphism, knowledge-based computational prediction of crystal structures, and efforts at mapping the pathway of the crystallization reaction.

  10. Liquid Crystals for Organic Photovoltaics

    NASA Astrophysics Data System (ADS)

    O'Neill, Mary; Kelly, Stephen M.

    As discussed in Chaps. 2 (10.1007/978-90-481-2873-0_2), 3 (10.1007/978-90-481-2873-3), 5 (10.1007/978-90-481-2873-5) and 6 (10.1007/978-90-481-2873-6), columnar, smectic and, more recently, nematic liquid crystals are widely recognized as very promising charge-transporting organic semiconductors due to their ability to spontaneously self-assemble into highly ordered domains in uniform thin films over large areas. This and their broad absorption spectra make them suitable as active materials for organic photovoltaic devices. In this chapter, we discuss the use of liquid crystals in such devices. Firstly, we examine the principle of power generation via the photovoltaic effect in organic materials and the various device configurations that can optimise efficiency. Then we discuss photovoltaic devices incorporating columnar liquid crystals combined with electron accepting materials based on either perylene or fullerene. The use of nematic and sanditic liquid crystals in photovoltaics is investigated as well as a novel solar cell concentrator incorporating liquid crystals. Finally, we analyse the benefits and limitations of liquid-crystal-based photovoltaics in the context of the state-of-the-art for organics photovoltaics.

  11. Crystallization of the magma ocean

    NASA Astrophysics Data System (ADS)

    Caracas, R.; Nomura, R.; Hirose, K.; Ballmer, M. D.

    2015-12-01

    We model the crystallization of the magma ocean using pyrolite as a proxy for its composition. We employ first-principles molecular-dynamics calculations to determine the density of the magmas. We use diamond-anvil cell experiments to trace the chemical evolution of the magmas during cooling and crystallization. We build a grid of pressure and temperature points, following the chemical evolution of the magma during the entire fractional crystallization of perovskite. Then we construct a geodynamical model of the evolving magma fully taking into account the density and chemistry of the melts and crystals. We show that the dynamics of the crystallization of the magma ocean is highly dependent (i) on extrinsic parameters, like pressure at the core-mantle boundary and temperature profile through the magma ocean, and (ii) on intrinsic parameters, like relative density relations between the melt and the crystals and vigor of the stirring. Formation of a solid layer in the middle of the magma ocean is possible, which can lead to the eventual formation of a basal magma ocean.

  12. Protein crystal nucleation in pores

    PubMed Central

    Nanev, Christo N.; Saridakis, Emmanuel; Chayen, Naomi E.

    2017-01-01

    The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials. PMID:28091515

  13. Hydrothermal Growth of Polyscale Crystals

    NASA Astrophysics Data System (ADS)

    Byrappa, Kullaiah

    In this chapter, the importance of the hydrothermal technique for growth of polyscale crystals is discussed with reference to its efficiency in synthesizing high-quality crystals of various sizes for modern technological applications. The historical development of the hydrothermal technique is briefly discussed, to show its evolution over time. Also some of the important types of apparatus used in routine hydrothermal research, including the continuous production of nanosize crystals, are discussed. The latest trends in the hydrothermal growth of crystals, such as thermodynamic modeling and understanding of the solution chemistry, are elucidated with appropriate examples. The growth of some selected bulk, fine, and nanosized crystals of current technological significance, such as quartz, aluminum and gallium berlinites, calcite, gemstones, rare-earth vanadates, electroceramic titanates, and carbon polymorphs, is discussed in detail. Future trends in the hydrothermal technique, required to meet the challenges of fast-growing demand for materials in various technological fields, are described. At the end of this chapter, an Appendix 18.A containing a more or less complete list of the characteristic families of crystals synthesized by the hydrothermal technique is given with the solvent and pressure-temperature (PT) conditions used in their synthesis.

  14. Holographic data storage crystals for the LDEF

    NASA Technical Reports Server (NTRS)

    Callen, W. Russell; Gaylord, Thomas K.

    1993-01-01

    Crystals of lithium niobate were passively exposed to the space environment of the Long Duration Exposure Facility (LDEF). Three of the four crystals contained volume holograms. Although the crystals suffered the surface damage characteristic of that suffered by other components on the Georgia Tech tray, the crystals remained suitable for the formation of volume holograms.

  15. The need for growing crystals in space

    NASA Technical Reports Server (NTRS)

    Kern, E. L.

    1981-01-01

    Payoffs of crystal growth in space in the areas of understanding growth and melt flow mechanisms, the growth of more uniform crystals with fewer defects, and the growth of crystals difficult or impossible to grow on Earth are summarized. The advantages of various heating methods are summarized. Critical devices requiring the uniformity and lower defect density of crystals grown in space are listed.

  16. Adaptive Liquid Crystal Windows

    SciTech Connect

    Taheri, Bahman; Bodnar, Volodymyr

    2011-12-31

    Energy consumption by private and commercial sectors in the U.S. has steadily grown over the last decade. The uncertainty in future availability of imported oil, on which the energy consumption relies strongly, resulted in a dramatic increase in the cost of energy. About 20% of this consumption are used to heat and cool houses and commercial buildings. To reduce dependence on the foreign oil and cut down emission of greenhouse gases, it is necessary to eliminate losses and reduce total energy consumption by buildings. To achieve this goal it is necessary to redefine the role of the conventional windows. At a minimum, windows should stop being a source for energy loss. Ideally, windows should become a source of energy, providing net gain to reduce energy used to heat and cool homes. It is possible to have a net energy gain from a window if its light transmission can be dynamically altered, ideally electronically without the need of operator assistance, providing optimal control of the solar gain that varies with season and climate in the U.S. In addition, the window must not require power from the building for operation. Resolution of this problem is a societal challenge and of national interest and will have a broad global impact. For this purpose, the year-round, allclimate window solution to provide an electronically variable solar heat gain coefficient (SHGC) with a wide dynamic range is needed. AlphaMicron, Inc. (AMI) developed and manufactured 1ft × 1ft prototype panels for the world’s first auto-adjusting Adaptive Liquid Crystal Windows (ALCWs) that can operate from sunlight without the need for external power source and demonstrate an electronically adjustable SHGC. This novel windows are based on AlphaMicron’s patented e-Tint® technology, a guesthost liquid crystal system implemented on flexible, optically clear plastic films. This technology is suitable both for OEM and aftermarket (retro-fitting) lamination to new and existing windows. Low level of

  17. Photonic crystal fiber nanospectrometer

    NASA Astrophysics Data System (ADS)

    Reimlinger, Mark; Battinelli, Emily; Wynne, Rosalind

    2012-04-01

    A silica-based steering wheel core photonic crystal fiber (SW-PCF) with a nano-featured spectrometer chemical agent detection configuration is presented. The spectrometer chip acquired from Nano-Optic DevicesTM can reduce the size of the spectrometer down to a coin. Results are provided for PCF structures filled with sample materials for spectroscopic identification. Portable and compact spectroscopic detectors with long interaction lengths (> few mm) specially outfitted for extreme environmental conditions are of interest to both military and civil institutions who wish to monitor air/water composition. The featured PCF spectrometer has the potential to measure optical absorption spectra in order to detect trace amounts of contaminants in gaseous or aqueous samples. The absorption spectrum of the SW-PCF detection system was measured as a function of the fiber interaction length and material volume. The SW-PCF measured spectra agreed with reference spectra. The SW-PCF has a core diameter of 3.9μm, outer diameter of 132.5μm. A nearly 5 cm length of the SW-PCF was coupled to the surface of a thin nanofeatured chip. The remaining end of the SW-PCF section is coupled to a laser light source centered at λ=635nm. The diffraction pattern produced by the nano-featured chip is captured by an objective lens and CCD camera for image analysis. The position of the intensity pattern extracted from the analyzed image indicates the spectral components of the absorption characteristics for the detected sample. This nano-featured spectrometer offers spectral resolution down to 0.1nm that makes it possible to detect substances with very detailed spectral features.

  18. Minimizing radiation damage in nonlinear optical crystals

    DOEpatents

    Cooke, D.W.; Bennett, B.L.; Cockroft, N.J.

    1998-09-08

    Methods are disclosed for minimizing laser induced damage to nonlinear crystals, such as KTP crystals, involving various means for electrically grounding the crystals in order to diffuse electrical discharges within the crystals caused by the incident laser beam. In certain embodiments, electrically conductive material is deposited onto or into surfaces of the nonlinear crystals and the electrically conductive surfaces are connected to an electrical ground. To minimize electrical discharges on crystal surfaces that are not covered by the grounded electrically conductive material, a vacuum may be created around the nonlinear crystal. 5 figs.

  19. Minimizing radiation damage in nonlinear optical crystals

    DOEpatents

    Cooke, D. Wayne; Bennett, Bryan L.; Cockroft, Nigel J.

    1998-01-01

    Methods are disclosed for minimizing laser induced damage to nonlinear crystals, such as KTP crystals, involving various means for electrically grounding the crystals in order to diffuse electrical discharges within the crystals caused by the incident laser beam. In certain embodiments, electrically conductive material is deposited onto or into surfaces of the nonlinear crystals and the electrically conductive surfaces are connected to an electrical ground. To minimize electrical discharges on crystal surfaces that are not covered by the grounded electrically conductive material, a vacuum may be created around the nonlinear crystal.

  20. Trial by fire: are the crystals macromolecules?

    PubMed Central

    Raghunathan, Kannan; Harris, Paul T.; Arvidson, Dennis N.

    2010-01-01

    Protein crystallization screens frequently yield salt crystals as well as protein crystals. A simple method for determining whether a crystal is composed of salt or macromolecules is suggested. A drop containing one or more crystals is transferred to a glass cover slip and the cover slip is then passed through the flame of a Bunsen burner. Macromolecule crystals are destroyed by this treatment, while salt crystals generally remain. The test can be performed after other commonly used tests such as crushing and staining. PMID:20445273

  1. Crystallization and X-ray diffraction of crystals formed in water-plasticized amorphous lactose.

    PubMed

    Jouppila, K; Kansikas, J; Roos, Y H

    1998-01-01

    Effects of storage time and relative humidity on crystallization and crystal forms produced from amorphous lactose were investigated. Crystallization was observed from time-dependent loss of sorbed water and increasing intensities of peaks in X-ray diffraction patterns. The rate of crystallization increased with increasing storage relative humidity. Lactose crystallized mainly as alpha-lactose monohydrate and anhydrous crystals with alpha- and beta-lactose in a molar ratio of 5:3. The results suggested that the crystal form was defined by the early nucleation process. The crystallization data are important in modeling of crystallization phenomena and prediction of stability of lactose-containing food and pharmaceutical materials.

  2. Making Crystals from Crystals: A Solid-State Route to the Engineering of Crystalline Materials, Polymorphs, Solvates and Co-Crystals; Considerations on the Future of Crystal Engineering

    NASA Astrophysics Data System (ADS)

    Braga, Dario; Curzi, Marco; Dichiarante, Elena; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Maini, Lucia; Palladino, Giuseppe; Pettersen, Anna; Polito, Marco

    Making crystals by design is the paradigm of crystal engineering. The main goal is that of obtaining and controlling the collective properties of a crystalline material from the convolution of the physical and chemical properties of the individual building blocks (whether molecules, ions, or metal atoms and ligands) with crystal periodicity and symmetry. Crystal engineering encompasses nowadays all traditional sectors of chemistry from organic to inorganic, organometallic, biological and pharmaceutical chemistry and nanotechnology. The investigation and characterization of the products of a crystal engineering experiment require the utilization of solid state techniques, including theoretical and advanced crystallography methods. Moreover, reactions between crystalline solids and/or between a crystalline solid and a vapour can be used to obtain crystalline materials, including new crystal forms, solvates and co-crystals. Indeed, crystal polymorphism, resulting from different packing arrangements of the same molecular or supramolecular entity in the crystal structure, represents a challenge to crystal makers.

  3. Second crystal cooling on cryogenically cooled undulator and wiggler double crystal monochromators.

    SciTech Connect

    Knapp, G. S.

    1998-08-03

    Simple methods for the cooling of the second crystals of cryogenically cooled undulator and wiggler double crystal monochromators are described. Copper braids between the first and second crystals are used to cool the second crystals of the double crystal monochromators. The method has proved successful for an undulator monochromator and we describe a design for a wiggler monochromator.

  4. (PCG) Protein Crystal Growth Horse Serum Albumin

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Horse Serum Albumin crystals grown during the USML-1 (STS-50) mission's Protein Crystal Growth Glovebox Experiment. These crystals were grown using a vapor diffusion technique at 22 degrees C. The crystals were allowed to grow for nine days while in orbit. Crystals of 1.0 mm in length were produced. The most abundant blood serum protein, regulates blood pressure and transports ions, metabolites, and therapeutic drugs. Principal Investigator was Edward Meehan.

  5. (PCG) Protein Crystal Growth Horse Serum Albumin

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Horse Serum Albumin crystals grown during the USML-1 (STS-50) mission's Protein Crystal Growth Glovebox Experiment. These crystals were grown using a vapor diffusion technique at 22 degrees C. The crystals were allowed to grow for nine days while in orbit. Crystals of 1.0 mm in length were produced. The most abundant blood serum protein, regulates blood pressure and transports ions, metabolites, and therapeutic drugs. Principal Investigator was Edward Meehan.

  6. Stacking fault energy in some single crystals

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2012-06-01

    The stacking fault energy of single crystals has been reported using the peak shift method. Presently studied all single crystals are grown by using a direct vapor transport (DVT) technique in the laboratory. The structural characterizations of these crystals are made by XRD. Considerable variations are shown in deformation (α) and growth (β) probabilities in single crystals due to off-stoichiometry, which possesses the stacking fault in the single crystal.

  7. Crystals, liquid crystals and superfluid helium on curved surfaces

    NASA Astrophysics Data System (ADS)

    Vitelli, Vincenzo

    In this thesis we study the ground state of ordered phases grown as thin layers on substrates with smooth spatially varying Gaussian curvature. The Gaussian curvature acts as a source for a one body potential of purely geometrical origin that controls the equilibrium distribution of the defects in liquid crystal layers, thin films of He4 and two dimensional crystals on a frozen curved surface. For superfluids, all defects are repelled (attracted) by regions of positive (negative) Gaussian curvature. For liquid crystals, charges between 0 and 4pi are attracted by regions of positive curvature while all other charges are repelled. As the thickness of the liquid crystal film increases, transitions between two and three dimensional defect structures are triggered in the ground state of the system. Thin spherical shells of nematic molecules with planar anchoring possess four short 12 disclination lines but, as the thickness increases, a three dimensional escaped configuration composed of two pairs of half-hedgehogs becomes energetically favorable. Finally, we examine the static and dynamical properties that distinguish two dimensional crystals constrained to lie on a curved substrate from their flat space counterparts. A generic mechanism of dislocation unbinding in the presence of varying Gaussian curvature is presented. We explore how the geometric potential affects the energetics and dynamics of dislocations and point defects such as vacancies and interstitials.

  8. Mechanobiological implications of articular cartilage crystals.

    PubMed

    Carlson, Alyssa K; McCutchen, Carley N; June, Ronald K

    2017-03-01

    Calcium crystals exist in both pathological and normal articular cartilage. The prevalence of these crystals dramatically increases with age, and crystals are typically found in osteoarthritic cartilage and synovial fluid. Relatively few studies have examined the effects of crystals on cartilage biomechanics or chondrocyte mechanotransduction. The purpose of this review is to describe how crystals could influence cartilage biomechanics and mechanotransduction in osteoarthritis. Crystals are found in both loaded and unloaded regions of articular cartilage. Exogenous crystals, in combination with joint motion, result in substantial joint inflammation. Articular cartilage vesicles promote crystal formation, and these vesicles are found near the periphery of chondrocytes. Crystallographic studies report monoclinic symmetry for synthetic crystals, suggesting that crystals will have a large stiffness compared with the cartilage extracellular matrix, the pericellular matrix, or the chondrocyte. This stiffness imbalance may cause crystal-induced dysregulation of chondrocyte mechanotransduction promoting both aging and osteoarthritis chondrocyte phenotypes. Because of their high stiffness compared with cartilage matrix, crystals likely alter chondrocyte mechanotransduction, and high concentrations of crystals within cartilage may alter macroscale biomechanics. Future studies should focus on understanding the mechanical properties of joint crystals and developing methods to understand how crystals affect chondrocyte mechanotransduction.

  9. Can Solution Supersaturation Affect Protein Crystal Quality?

    NASA Technical Reports Server (NTRS)

    Gorti, Sridhar

    2013-01-01

    The formation of large protein crystals of "high quality" is considered a characteristic manifestation of microgravity. The physical processes that predict the formation of large, high quality protein crystals in the microgravity environment of space are considered rooted in the existence of a "depletion zone" in the vicinity of crystal. Namely, it is considered reasonable that crystal quality suffers in earth-grown crystals as a result of the incorporation of large aggregates, micro-crystals and/or large molecular weight "impurities", processes which are aided by density driven convective flow or mixing at the crystal-liquid interface. Sedimentation and density driven convection produce unfavorable solution conditions in the vicinity of the crystal surface, which promotes rapid crystal growth to the detriment of crystal size and quality. In this effort, we shall further present the hypothesis that the solution supersaturatoin at the crystal surface determines the growth mechanism, or mode, by which protein crystals grow. It is further hypothesized that protein crystal quality is affected by the mechanism or mode of crystal growth. Hence the formation of a depletion zone in microgravity environment is beneficial due to inhibition of impurity incorporatoin as well as preventing a kinetic roughening transition. It should be noted that for many proteins the magnitude of neither protein crystal growth rates nor solution supersaturation are predictors of a kinetic roughening transition. That is, the kinetic roughening transition supersaturation must be dtermined for each individual protein.

  10. Methods for synthesizing microporous crystals and microporous crystal membranes

    DOEpatents

    Dutta, Prabir; Severance, Michael; Sun, Chenhu

    2017-02-07

    A method of making a microporous crystal material, comprising: a. forming a mixture comprising NaOH, water, and one or more of an aluminum source, a silicon source, and a phosphate source, whereupon the mixture forms a gel; b. heating the gel for a first time period, whereupon a first volume of water is removed from the gel and micoroporous crystal nuclei form, the nuclei having a framework; and c.(if a membrane is to be formed) applying the gel to a solid support seeded with microporous crystals having a framework that is the same as the framework of the nuclei; d. heating the gel for a second time period. during which a second volume of water is added to the gel; wherein the rate of addition of the second volume of water is between about 0.5 and about 2.0 fold the rate of removal of the first volume of water.

  11. Protein Crystallization: Specific Phenomena and General Insights on Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Rosenberger, F.

    1998-01-01

    Experimental and simulation studies of the nucleation and growth kinetics of proteins have revealed phenomena that are specific for macromolecular crystallization, and others that provide a more detailed understanding of solution crystallization in general. The more specific phenomena, which include metastable liquid-liquid phase separations and gelation prior to solid nucleation, are due to the small ratio of the intermolecular interaction-range to the size of molecules involved. The apparently more generally applicable mechanisms include the cascade-like formation of macrosteps, as an intrinsic morphological instability that roots in the coupled bulk transport and nonlinear interface kinetics in systems with mixed growth rate control. Analyses of this nonlinear response provide (a) criteria for the choice of bulk transport conditions to minimize structural defect formation, and (b) indications that the "slow" protein crystallization kinetics stems from the mutual retardation of growth steps.

  12. Nanoindentation in crystal engineering: quantifying mechanical properties of molecular crystals.

    PubMed

    Varughese, Sunil; Kiran, M S R N; Ramamurty, Upadrasta; Desiraju, Gautam R

    2013-03-04

    Nanoindentation is a technique for measuring the elastic modulus and hardness of small amounts of materials. This method, which has been used extensively for characterizing metallic and inorganic solids, is now being applied to organic and metal-organic crystals, and has also become relevant to the subject of crystal engineering, which is concerned with the design of molecular solids with desired properties and functions. Through nanoindentation it is possible to correlate molecular-level properties such as crystal packing, interaction characteristics, and the inherent anisotropy with micro/macroscopic events such as desolvation, domain coexistence, layer migration, polymorphism, and solid-state reactivity. Recent developments and exciting opportunities in this area are highlighted in this Minireview.

  13. Protein crystal growth - Growth kinetics for tetragonal lysozyme crystals

    NASA Technical Reports Server (NTRS)

    Pusey, M. L.; Snyder, R. S.; Naumann, R.

    1986-01-01

    Results are reported from theoretical and experimental studies of the growth rate of lysozyme as a function of diffusion in earth-gravity conditions. The investigations were carried out to form a comparison database for future studies of protein crystal growth in the microgravity environment of space. A diffusion-convection model is presented for predicting crystal growth rates in the presence of solutal concentration gradients. Techniques used to grow and monitor the growth of hen egg white lysozyme are detailed. The model calculations and experiment data are employed to discuss the effects of transport and interfacial kinetics in the growth of the crystals, which gradually diminished the free energy in the growth solution. Density gradient-driven convection, caused by presence of the gravity field, was a limiting factor in the growth rate.

  14. Protein Crystallization: Specific Phenomena and General Insights on Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Rosenberger, F.

    1998-01-01

    Experimental and simulation studies of the nucleation and growth kinetics of proteins have revealed phenomena that are specific for macromolecular crystallization, and others that provide a more detailed understanding of solution crystallization in general. The more specific phenomena, which include metastable liquid-liquid phase separations and gelation prior to solid nucleation, are due to the small ratio of the intermolecular interaction-range to the size of molecules involved. The apparently more generally applicable mechanisms include the cascade-like formation of macrosteps, as an intrinsic morphological instability that roots in the coupled bulk transport and nonlinear interface kinetics in systems with mixed growth rate control. Analyses of this nonlinear response provide (a) criteria for the choice of bulk transport conditions to minimize structural defect formation, and (b) indications that the "slow" protein crystallization kinetics stems from the mutual retardation of growth steps.

  15. Taylor vortex effect on flocculation of hairy crystals of calcium lactate in anti-solvent crystallization

    NASA Astrophysics Data System (ADS)

    Lee, Sooyun; Lee, Choul-Ho; Kim, Woo-Sik

    2013-06-01

    A Taylor vortex flow was applied to inhibit the crystal flocculation of calcium lactate in anti-solvent crystallization. When using a conventional MSMPR crystallizer, hairy crystals of calcium lactate were formed and flocculated in the crystallizer. The whole suspension in the crystallizer then gelated and the solution trapped in the flocculated crystals was hardly removable from the gelated suspension. Thus, no purification of calcium lactate was achievable when using anti-solvent crystallization in the MSMPR crystallizer, regardless of a batch or continuous operating mode. In contrast, when using a Couette-Taylor (CT) crystallizer, short needle crystals (about 40 μm) were produced and their flocculation/entanglement was completely prevented. Due to the effective mixing of the Taylor vortex, a high supersaturation was induced in the inlet region of the CT crystallizer, thereby nucleating a high number of needle crystals. This then restricted any one-dimensional overgrowth of crystals, preventing the formation of hairy crystals. According to this mechanism, the mean crystal size was reduced when increasing the rotation speed of the CT crystallizer, the feed concentration, and flow rate. Moreover, the recovery ratio of calcium lactate crystals in the CT crystallizer was always greater than 83% and depended most significantly on the feed flow rate.

  16. Crystallization Physics in Biomacromolecular Systems

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2003-01-01

    The crystals are built of molecules of protein, nucleic acid and their complexes, like viruses, approx. 5x10(exp 3)+ 3x10(exp 6) Da in weight and 2 + 20 nm in effective diameter. This size strongly exceeds action range of molecular forces and makes a big difference with inorganic crystals. Intermolecular contacts form patches on the biomacromolecular surface. Each patch may occupy only a small percent of the whole surface and vary from polymorph to polymorph of the same protein. Thus, under different conditions (pH, solution chemistry, temperature, any area on the macromolecular surface may form a contact. The crystal Young moduli, E approx. equals 0.1 + 0.5 GPa are more than 10 times lower than that of inorganics and the biomolecules themselves. Water within biocrystals (30-70%) is unable to flow unless typical deformation time is longer than approx. 10(exp -5)s. This explains the discrepancy between light scattering and static measurements of E. Nucleation and Growth requires typically concentrations exceeding the equilibrium ones up to 100 times - because of the new size scale results in 10 - 10(exp 3) times lower kinetic coefficients than that needed for inorganic solution growth. All phenomena observed in the latter occur with protein crystallization and are even better studied by AFM. Crystals are typically facetted. Among unexpected findings of general significance are - net molecular exchange flux at kinks is much lower than that expected from supersaturation, steps with low (< approx. 10(exp -2)) kink density at steps follow Gibbs-Thomson law only at very low supersaturations, step segment growth rate may be independent of step energy. Crystal perfection is a must of biocrystallization to achieve the major goal to find 3-D atomic structure of biomacromolecules by x-ray diffraction. Poor diffraction resolution (> 3Angstrom) makes crystallization a bottleneck for structural biology. All defects typical of small molecule crystals are found in biocrystals, but

  17. Crystallization Physics in Biomacromolecular Systems

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2003-01-01

    The crystals are built of molecules of protein, nucleic acid and their complexes, like viruses, approx. 5x10(exp 3)+ 3x10(exp 6) Da in weight and 2 + 20 nm in effective diameter. This size strongly exceeds action range of molecular forces and makes a big difference with inorganic crystals. Intermolecular contacts form patches on the biomacromolecular surface. Each patch may occupy only a small percent of the whole surface and vary from polymorph to polymorph of the same protein. Thus, under different conditions (pH, solution chemistry, temperature, any area on the macromolecular surface may form a contact. The crystal Young moduli, E approx. equals 0.1 + 0.5 GPa are more than 10 times lower than that of inorganics and the biomolecules themselves. Water within biocrystals (30-70%) is unable to flow unless typical deformation time is longer than approx. 10(exp -5)s. This explains the discrepancy between light scattering and static measurements of E. Nucleation and Growth requires typically concentrations exceeding the equilibrium ones up to 100 times - because of the new size scale results in 10 - 10(exp 3) times lower kinetic coefficients than that needed for inorganic solution growth. All phenomena observed in the latter occur with protein crystallization and are even better studied by AFM. Crystals are typically facetted. Among unexpected findings of general significance are - net molecular exchange flux at kinks is much lower than that expected from supersaturation, steps with low (< approx. 10(exp -2)) kink density at steps follow Gibbs-Thomson law only at very low supersaturations, step segment growth rate may be independent of step energy. Crystal perfection is a must of biocrystallization to achieve the major goal to find 3-D atomic structure of biomacromolecules by x-ray diffraction. Poor diffraction resolution (> 3Angstrom) makes crystallization a bottleneck for structural biology. All defects typical of small molecule crystals are found in biocrystals, but

  18. Nonlinear effects in photorefractive crystals

    NASA Astrophysics Data System (ADS)

    Erbschloe, Donald R.

    Photorefractive crystals are materials whose index of refraction is altered under illumination by light. These crystals are both photoconductive and electrooptic. When a nonuniform light intensity pattern is present in the material, photocarriers are generated and redistributed, creating space charge electric fields which change the refractive index locally. These crystals are ideal media for real time holography, and applications include wave amplification, image processing, phase conjugation, and laser beam steering for optical interconnects. This thesis investigates many novel aspects of the photorefractive effect. A study of nonreciprocal behavior identifies a new important consideration in the theory of two-wave mixing between counterpropagating beams-namely the presence of a photocurrent, or frequency detuning between the beams results in a spatially varying beam coupling. A numerical treatment of these important cases provides the first systematic theoretical assessment the control of nonreciprocal transmission and phase shift in lithium niobate, a representative photorefractive crystal. A comparison between crystal types suggests candidates for nonreciprocal applications such as an optical diode.

  19. Matryoshka locally resonant sonic crystal.

    PubMed

    Elford, Daniel P; Chalmers, Luke; Kusmartsev, Feodor V; Swallowe, Gerry M

    2011-11-01

    The results of numerical modeling of sonic crystals with resonant array elements are reported. The investigated resonant elements include plain slotted cylinders as well as their various combinations, in particular, Russian doll or Matryoshka configurations. The acoustic band structure and transmission characteristics of such systems have been computed with the use of finite element methods. The general concept of a locally resonant sonic crystal is proposed that utilizes acoustic resonances to form additional band gaps that are decoupled from Bragg gaps. An existence of a separate attenuation mechanism associated with the resonant elements that increases performance in the lower frequency regime has been identified. The results show a formation of broad band gaps positioned significantly below the first Bragg frequency. For low frequency broadband attenuation, a most optimal configuration is the Matryoshka sonic crystal, where each scattering unit is composed of multiple concentric slotted cylinders. This system forms numerous gaps in the lower frequency regime, below Bragg bands, while maintaining a reduced crystal size viable for noise barrier technology. The finding opens alternative perspectives for the construction of sound barriers in the low frequency range usually inaccessible by traditional means including conventional sonic crystals.

  20. Matryoshka locally resonant sonic crystal

    NASA Astrophysics Data System (ADS)

    Elford, Daniel P.; Chalmers, Luke; Kusmartsev, Feodor V.; Swallowe, Gerry M.

    The results of numerical modelling of sonic crystals with resonant array elements are reported. The investigated resonant elements include plain slotted cylinders as well as various their combinations, in particular, Russian doll or Matryoshka configurations. The acoustic band structure and transmission characteristics of such systems have been computed with the use of finite element methods. The general concept of a locally resonant sonic crystal is proposed, which utilises acoustic resonances to form additional band gaps that are decoupled from Bragg gaps. An existence of a separate attenuation mechanism associated with the resonant elements, which increases performance in the lower frequency regime has been identified. The results show a formation of broad band gaps positioned significantly below the first Bragg frequency. For low frequency broadband attenuation a most optimal configuration is the Matryoshka sonic crystal, where each scattering unit is composed of multiple concentric slotted cylinders. This system forms numerous gaps in the lower frequency regime, below Bragg bands, whilst maintaining a reduced crystal size viable for noise barrier technology. The finding opens new perspectives for construction of sound barriers in the low frequency range usually inaccessible by traditional means including conventional sonic crystals.

  1. Computer Modeling of Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Hashim, Rauzah

    This chapter outlines the methodologies and models which are commonly used in the simulation of liquid crystals. The approach in the simulation of liquid crystals has always been to understand the nature of the phase and to relate this to fundamental molecular features such as geometry and intermolecular forces, before important properties related to certain applications are elucidated. Hence, preceding the description of the main "molecular-based" models for liquid crystals, a general but brief outline of the nature of liquid crystals and their historical development is given. Three main model classes, namely the coarse-grained single-site lattice and Gay-Berne models and the full atomistic model will be described here where for each a brief review will be given followed by assessment of its application in describing the phase phenomena with an emphasis on understanding the molecular organization in liquid crystal phases and the prediction of their bulk properties. Variants and hybrid models derived from these classes and their applications are given.

  2. Crystal strength by direct computation

    NASA Astrophysics Data System (ADS)

    Bulatov, Vasily

    2007-03-01

    The art of making materials stronger goes back to medieval and even ancient times. Swords forged from Damascus steels more than 10 centuries ago possessed a unique combination of hardness and flexibility, two qualities that are difficult to attain simultaneously. The skills of metalworking were based on empirical knowledge and were passed from the master smith to his pupils. The science of physical metallurgy came about only in the XX century bringing with it new methods for finding out why some materials are strong while others are not. Soon it was realized that, when it comes to metal strength, it is all about crystal defects -- impurities, dislocations, grain boundaries, etc. - and how they are organized into crystal microstructure. This understanding has since resulted in new effective methods of material processing aiming to modify crystal microstructure in order to affect material's properties, e.g. strength and/or hardness. Remarkably and disappointingly, general understanding that microstructure defines material's response to external loads has not yet resulted in a workable physical theory of metal strength accounting for the realistic complexity of material microstructure. In this presentation I would like to discuss a few tidbits from computational and experimental research in our group at LLNL on crystal defects and their contributions to material strength. My selection of the examples aims to illustrate the major premise of our work that the mechanisms by which the microstructure affects crystal strength are multiple and complex but that there is hope to bring some order to this complexity.

  3. Dimer crystallization of chiral proteoids.

    PubMed

    Wang, Po-Yuan; Mason, Thomas G

    2017-03-08

    Proteins can self-assemble into a variety of exquisitely organized structures through hierarchical reaction pathways. To examine how different core shapes of proteins and entropy combine to influence self-assembly, we create systems of lithographically fabricated proteomimetic colloids, or 'proteoids', and explore how Brownian monolayers of mobile proteoids, which have hard interactions, self-assemble as they are slowly crowded. Remarkably, chiral C-shaped proteoids having circular heads on only one side form enantiopure lock-and-key chiral dimers; these dimers have corrugated, shape-complementary perimeters, so they, in turn, form lock-and-key arrangements into chiral dimer crystals. Time-lapse video microscopy reveals the expulsion of monomers from the growing dimer crystals through tautomerization translocation reactions which expedite the crystallization kinetics. By lithographically mutating proteoids, we also tune the types and structures of the resulting dimer crystals. Thus, rational design of sub-particle features in hard-core colloidal shapes can be used to sterically select desired self-assembly pathways without introducing any site-specific attractions, thereby generating a striking degree of hierarchical self-ordering, reminiscent of protein crystallization.

  4. Nucleation of Crystals in Solution

    NASA Astrophysics Data System (ADS)

    Vekilov, Peter G.

    2010-07-01

    Solution crystallization is an essential part of processes in the chemical and pharmaceutical industries and a major step in physiological and pathological phenomena. Crystallization starts with nucleation and control of nucleation is crucial for the control of the number, size, perfection, polymorphism and other characteristics of the crystalline materials. Recently, there have been significant advances in the understanding of the mechanism of nucleation of crystals in solution. The most significant of these is the two-step mechanism of nucleation, according to which the crystalline nucleus appears inside pre-existing metastable clusters of size several hundred nanometers, which consist of dense liquid and are suspended in the solution. While initially proposed for protein crystals, the applicability of this mechanism has been demonstrated for small molecule organic materials, colloids, and biominerals. This mechanism helps to explain several long-standing puzzles of crystal nucleation in solution: nucleation rates which are many orders of magnitude lower than theoretical predictions, nucleation kinetic dependencies with steady or receding parts at increasing supersaturation, the role of heterogeneous substrates for polymorph selection, the significance of the dense protein liquid, and others. More importantly, this mechanism provides powerful tools for control of the nucleation process by varying the solution thermodynamic parameters so that the volume occupied by the dense liquid shrinks or expands.

  5. Synchrotron/crystal sample preparation

    NASA Technical Reports Server (NTRS)

    Johnson, R. Barry

    1993-01-01

    The Center for Applied Optics (CAO) of the University of Alabama in Huntsville (UAH) prepared this final report entitled 'Synchrotron/Crystal Sample Preparation' in completion of contract NAS8-38609, Delivery Order No. 53. Hughes Danbury Optical Systems (HDOS) is manufacturing the Advanced X-ray Astrophysics Facility (AXAF) mirrors. These thin-walled, grazing incidence, Wolter Type-1 mirrors, varying in diameter from 1.2 to 0.68 meters, must be ground and polished using state-of-the-art techniques in order to prevent undue stress due to damage or the presence of crystals and inclusions. The effect of crystals on the polishing and grinding process must also be understood. This involves coating special samples of Zerodur and measuring the reflectivity of the coatings in a synchrotron system. In order to gain the understanding needed on the effect of the Zerodur crystals by the grinding and polishing process, UAH prepared glass samples by cutting, grinding, etching, and polishing as required to meet specifications for witness bars for synchrotron measurements and for investigations of crystals embedded in Zerodur. UAH then characterized these samples for subsurface damage and surface roughness and figure.

  6. Mechanically tunable photonic crystal lens

    NASA Astrophysics Data System (ADS)

    Cui, Y.; Tamma, V. A.; Lee, J.-B.; Park, W.

    2010-08-01

    We designed, fabricated and characterized MEMS-enabled mechanically-tunable photonic crystal lens comprised of 2D photonic crystal and symmetrical electro-thermal actuators. The 2D photonic crystal was made of a honeycomb-lattice of 340 nm thick, 260 nm diameter high-index silicon rods embedded in low-index 10 μm thick SU-8 cladding. Silicon input waveguide and deflection block were also fabricated for light in-coupling and monitoring of focused spot size, respectively. When actuated, the electro-thermal actuators induced mechanical strain which changed the lattice constant of the photonic crystal and consequently modified the photonic band structure. This in turn modified the focal-length of the photonic crystal lens. The fabricated device was characterized using a tunable laser (1400~1602 nm) and an infrared camera during actuation. At the wavelength of 1450 nm, the lateral light spot size observed at the deflection block gradually decreased 40%, as applied current increased from 0 to 0.7 A, indicating changes in focal length in response to the mechanical stretching.

  7. The MORPHEUS protein crystallization screen.

    PubMed

    Gorrec, Fabrice

    2009-12-01

    A 96-condition initial screen for protein crystallization, called MORPHEUS, has been developed at the MRC Laboratory of Molecular Biology, Cambridge, England (MRC-LMB). The concept integrates several innovative approaches, such as chemically compatible mixes of potential ligands, new buffer systems and precipitant mixes that also act as cryoprotectants. Instead of gathering a set of crystallization conditions that have already been successful, a selection of molecules frequently observed in the Protein Data Bank (PDB) to co-crystallize with proteins has been made. These have been put together in mixes of similar chemical behaviour and structure, and combined with buffers and precipitant mixes that were also derived from PDB searches, to build the screen de novo. Observations made at the MRC-LMB and many practical aspects were also taken into account when formulating the screen. The resulting screen is easy to use, comprehensive yet small, and has already yielded a list of crystallization hits using both known and novel samples. As an indicator of success, the screen has now become one of the standard screens used routinely at the MRC-LMB when searching initial crystallization conditions for biological macromolecules.

  8. Generation of crystal structures using known crystal structures as analogues

    PubMed Central

    Cole, Jason C.; Groom, Colin R.; Read, Murray G.; Giangreco, Ilenia; McCabe, Patrick; Reilly, Anthony M.; Shields, Gregory P.

    2016-01-01

    This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes – sometimes they do, particularly for single-component structures. However, one does need to define what we mean by similar in both cases. Building on this observation we then demonstrate how this correlation between shape similarity and packing similarity can be used to generate potential lattices for molecules with no known crystal structure. Simple intermolecular interaction potentials can be used to minimize these potential lattices. Finally we discuss the many limitations of this approach. PMID:27484374

  9. Investigation of crystal growth from solutions

    NASA Technical Reports Server (NTRS)

    Miyagawa, I.

    1975-01-01

    Growth of organic compounds from solution, in particular Rochelle salt and triglycine sulphate, was investigated. Ground-based experiments showed that gravity-driven convection currents in the growth solution influenced defect production in crystals, degraded ferroelectric quality, and indicated that an experiment done in a zero-gravity environment would be beneficial. A crystal of Rochelle salt was grown on board Skylab-4. The quality of this crystal was compared to earth-grown crystals and its unusual features were studied. A typical defect produced in this convection-free environment was a long straight tube extending in the direction of the c crystal axis. These tubes were much longer and more regularly arranged than in similar earth-grown crystals. The crystal was actually several crystals with corresponding axes parallel to each other. Ferroelectric hysteresis experiments showed that some parts of the crystal had many defects, while other parts were of extremely good quality.

  10. Crystallization of a Cyanurate Trimer in Nanopores

    NASA Astrophysics Data System (ADS)

    Koh, Yung P.; Simon, Sindee L.

    2011-03-01

    Nanoconfinement is known to depress the melting temperature through the well-known Gibbs-Thompson equation. Less well studied is the influence of nanoconfinement on crystallization kinetics. In this work we investigate crystallization of a cyanurate trimer using differential scanning calorimetry. The material shows cold crystallization and melting in the bulk state. Under the nanoconfinement of controlled pore glasses (CPG), cold crystallization and melting shift to lower temperatures, following the shift in the glass transition temperature. More importantly, however, the crystallization kinetics slow down and no crystallization occurs in 13 nm-diameter pores. Isothermal crystallization studies indicate that the Avrami exponent is approximately 2.0 for both bulk and nanoconfined samples. The time scale for crystallization is over one order of magnitude longer for samples confined in 50-nm pores in spite of the fact that samples were crystallized the same distance from Tg .

  11. Crystallization of isoelectrically homogeneous cholera toxin

    SciTech Connect

    Spangler, B.D.; Westbrook, E.M. )

    1989-02-07

    Past difficulty in growing good crystals of cholera toxin has prevented the study of the crystal structure of this important protein. The authors have determined that failure of cholera toxin to crystallize well has been due to its heterogeneity. They have now succeeded in overcoming the problem by isolating a single isoelectric variant of this oligomeric protein (one A subunit and five B subunits). Cholera toxin purified by their procedure readily forms large single crystals. The crystal form has been described previously. They have recorded data from native crystals of cholera toxin to 3.0-{angstrom} resolution with our electronic area detectors. With these data, they have found the orientation of a 5-fold symmetry axis within these crystals, perpendicular to the screw dyad of the crystal. They are now determining the crystal structure of cholera toxin by a combination of multiple heavy-atom isomorphous replacement and density modification techniques, making use of rotational 5-fold averaging of the B subunits.

  12. Microfluidic Approaches for Protein Crystal Structure Analysis.

    PubMed

    Maeki, Masatoshi; Yamaguchi, Hiroshi; Tokeshi, Manabu; Miyazaki, Masaya

    2016-01-01

    This review summarizes two microfluidic-based protein crystallization methods, protein crystallization behavior in the microfluidic devices, and their applications for X-ray crystal structure analysis. Microfluidic devices provide many advantages for protein crystallography; they require small sample volumes, provide high-throughput screening, and allow control of the protein crystallization. A droplet-based protein crystallization method is a useful technique for high-throughput screening and the formation of a single crystal without any complicated device fabrication process. Well-based microfluidic platforms also enable effective protein crystallization. This review also summarizes the protein crystal growth behavior in microfluidic devices as, is known from viewpoints of theoretical and experimental approaches. Finally, we introduce applications of microfluidic devices for on-chip crystal structure analysis.

  13. Computational analyses of crystal growth

    NASA Technical Reports Server (NTRS)

    Dakhoul, Youssef M.

    1987-01-01

    Two important aspects of Hg/Cd/Te crystal growth processes are discussed. First, the thermal field and second, the fluid movement in the melt zone. The thermal analysis includes numerical calculation of axisymmetric heat conduction within the sample. It also includes a three-dimensional radiation model to calculate the radiative heat exchange between the furnace and the crystal as determined by the complex geometry of the furnace and the adiabatic shield. The thermal analysis also includes a crystal conductivity which is dependent on temperature and composition. To tackle the fluid flow aspect of the problem, an attempt was made to use a newly developed incompressible flow code based on the slight compressibility, and hence the finite sound speed, of all real fluids.

  14. Crystal structure determination of Efavirenz

    SciTech Connect

    Popeneciu, Horea Dumitru, Ristoiu; Tripon, Carmen Borodi, Gheorghe Pop, Mihaela Maria

    2015-12-23

    Needle-shaped single crystals of the title compound, C{sub 14}H{sub 9}ClF{sub 3}NO{sub 2}, were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring.

  15. Observable Protein Crystal Growth Apparatus

    NASA Technical Reports Server (NTRS)

    2001-01-01

    This diagram shows a cross sectrion of the fluid volume of an individual cell in the Observable Protein Crystal Growth Apparatus (OPCGA) to be operated aboard the International Space Station (ISS). The principal investigator is Dr. Alex McPherson of the University of California, Irvine. Each individual cell comprises two sample chambers with a rotating center section that isolates the two from each other until the start of the experiment and after it is completed. The cells are made from optical-quality quartz glass to allow photography and interferometric observations. Each cell has a small light-emitting diode and lens to back-light the solution. In protein crystal growth experiments, a precipitating agent such as a salt solution is used to absorb and hold water but repel the protein molecules. This increases the concentration of protein until the molecules nucleate to form crystals. This cell is one of 96 that make up the experiment module portion of the OPCGA.

  16. Surface energies of elemental crystals

    NASA Astrophysics Data System (ADS)

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A.; Ong, Shyue Ping

    2016-09-01

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal’s equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials.

  17. Crystal formation in furunculosis agar

    USGS Publications Warehouse

    Bullock, G.L.; Ross, A.J.

    1964-01-01

    SINCE ITS INTRODUCTION SOME MONTHS AGO, FURUNCULOSIS AGAR has been employed in the diagnosis of suspect furunculosis and also as a general purpose medium. During our work with this medium we have noticed discrete "colonies," of crystalline material, which very closely resemble microbial colonies. These crystal colonies are compact and appear on both the surface and subsurface; they occur in inoculated slants and plates incubated for long periods (2 to 3 weeks), as well as in uninoculated stored medium. As the crystal colonies could be confusing to workers using this medium, we decided to attempt to identify them and also to determine whether storage conditions and different lots of medium affect crystal formation.

  18. Nanosized microporous crystals: emerging applications.

    PubMed

    Mintova, Svetlana; Jaber, Maguy; Valtchev, Valentin

    2015-10-21

    This review highlights recent developments in the synthesis and unconventional applications of nanosized microporous crystals including framework (zeolites) and layered (clays) type materials. Owing to their microporous nature nanosized zeolites and clays exhibit novel properties, different from those of bulk materials. The factors controlling the formation of nanosized microporous crystals are first revised. The most promising approaches from the viewpoint of large-scale production of nanosized zeolites and clays are discussed in depth. The preparation and advanced applications of nanosized zeolites and clays in free (suspension and powder forms) and fixed (films) forms are summarized. Further the review emphasises the non-conventional applications of new porous materials. A comprehensive analysis of the emerging applications of microporous nanosized crystals in the field of semiconductor industry, optical materials, chemical sensors, medicine, cosmetics, and food industry is presented. Finally, the future needs and perspectives of nanosized microporous materials (zeolites and clays) are addressed.

  19. Morphological instabilities of polymer crystals.

    PubMed

    Grozev, N; Botiz, I; Reiter, G

    2008-09-01

    We present experimental observations at comparatively low supercooling of morphology transitions from dendritic to faceted structures in polymer crystals growing in thin films of a poly-2-vinylpyridine-block-polyethyleneoxid copolymer. Our results are compared with theoretical concepts describing morphological instabilities of single crystals. Although these concepts originally were not developed for polymers, they allow to describe and interpret our experimental results quite well. In particular, the measured temperature dependence of the width W and frequency of dendritic side branches and the radius of curvature p of the growth tips of the crystals follow these concepts. We present preliminary evidence for the influence of polymer attachment kinetics and reorganisation processes behind the growth front. Polymer thin films provide valuable model systems for studying general concepts of crystallisation and allow to distinguish at which point the connectivity of the crystallising units within chain-like molecules starts to play a measurable role.

  20. Predicting crystals of Janus colloids

    NASA Astrophysics Data System (ADS)

    Vissers, Teun; Preisler, Zdeněk; Smallenburg, Frank; Dijkstra, Marjolein; Sciortino, Francesco

    2013-04-01

    We present a numerical study on the phase diagram for a simple model of Janus colloids, including ordered and disordered structures. Using a range of techniques, we generate a set of crystal structures and investigate their relative stability field in the pressure-temperature and temperature-density planes by means of free-energy calculations and thermodynamic integration schemes. We find that despite the Janus colloids' simple architecture, they form stable crystal structures with complicated bond-topologies on an underlying face-centered-cubic or hexagonal-close-packed lattice. In addition, we find a phase consisting of wrinkled bilayer sheets, competing with both the fluid and the crystal phases. We detect a metastable gas-liquid coexistence which displays a micellization-driven re-entrant behavior.