Nanostructure-Enabled and Macromolecule-Grafted Surfaces for Biomedical Applications

Directory of Open Access Journals (Sweden)

Madeline Small

2018-05-01

Full Text Available Advances in nanotechnology and nanomaterials have enabled the development of functional biomaterials with surface properties that reduce the rate of the device rejection in injectable and implantable biomaterials. In addition, the surface of biomaterials can be functionalized with macromolecules for stimuli-responsive purposes to improve the efficacy and effectiveness in drug release applications. Furthermore, macromolecule-grafted surfaces exhibit a hierarchical nanostructure that mimics nanotextured surfaces for the promotion of cellular responses in tissue engineering. Owing to these unique properties, this review focuses on the grafting of macromolecules on the surfaces of various biomaterials (e.g., films, fibers, hydrogels, and etc. to create nanostructure-enabled and macromolecule-grafted surfaces for biomedical applications, such as thrombosis prevention and wound healing. The macromolecule-modified surfaces can be treated as a functional device that either passively inhibits adverse effects from injectable and implantable devices or actively delivers biological agents that are locally based on proper stimulation. In this review, several methods are discussed to enable the surface of biomaterials to be used for further grafting of macromolecules. In addition, we review surface-modified films (coatings and fibers with respect to several biomedical applications. Our review provides a scientific update on the current achievements and future trends of nanostructure-enabled and macromolecule-grafted surfaces in biomedical applications.

Molecular Imprinting of Macromolecules for Sensor Applications.

Science.gov (United States)

Saylan, Yeşeren; Yilmaz, Fatma; Özgür, Erdoğan; Derazshamshir, Ali; Yavuz, Handan; Denizli, Adil

2017-04-19

Molecular recognition has an important role in numerous living systems. One of the most important molecular recognition methods is molecular imprinting, which allows host compounds to recognize and detect several molecules rapidly, sensitively and selectively. Compared to natural systems, molecular imprinting methods have some important features such as low cost, robustness, high recognition ability and long term durability which allows molecularly imprinted polymers to be used in various biotechnological applications, such as chromatography, drug delivery, nanotechnology, and sensor technology. Sensors are important tools because of their ability to figure out a potentially large number of analytical difficulties in various areas with different macromolecular targets. Proteins, enzymes, nucleic acids, antibodies, viruses and cells are defined as macromolecules that have wide range of functions are very important. Thus, macromolecules detection has gained great attention in concerning the improvement in most of the studies. The applications of macromolecule imprinted sensors will have a spacious exploration according to the low cost, high specificity and stability. In this review, macromolecules for molecularly imprinted sensor applications are structured according to the definition of molecular imprinting methods, developments in macromolecular imprinting methods, macromolecular imprinted sensors, and conclusions and future perspectives. This chapter follows the latter strategies and focuses on the applications of macromolecular imprinted sensors. This allows discussion on how sensor strategy is brought to solve the macromolecules imprinting.

Crystallization and Characterization of Galdieria sulphuraria RUBISCO in Two Crystal Forms: Structural Phase Transition Observed in P21 Crystal Form

Directory of Open Access Journals (Sweden)

Boguslaw Stec

2007-10-01

Full Text Available We have isolated ribulose-1,5-bisphosphate-carboxylase/oxygenase (RUBISCOfrom the red algae Galdieria Sulphuraria. The protein crystallized in two different crystalforms, the I422 crystal form being obtained from high salt and the P21 crystal form beingobtained from lower concentration of salt and PEG. We report here the crystallization,preliminary stages of structure determination and the detection of the structural phasetransition in the P21 crystal form of G. sulphuraria RUBISCO. This red algae enzymebelongs to the hexadecameric class (L8S8 with an approximate molecular weight 0.6MDa.The phase transition in G. sulphuraria RUBISCO leads from two hexadecamers to a singlehexadecamer per asymmetric unit. The preservation of diffraction power in a phasetransition for such a large macromolecule is rare.

Crystal quality analysis and improvement using x-ray topography

International Nuclear Information System (INIS)

Maj, J.; Goetze, K.; Macrander, A.; Zhong, Y.; Huang, X.; Maj, L.

2008-01-01

The Topography X-ray Laboratory of the Advanced Photon Source (APS) at Argonne National Laboratory operates as a collaborative effort with APS users to produce high performance crystals for APS X-ray beamline experiments. For many years the topography laboratory has worked closely with an on-site optics shop to help ensure the production of crystals with the highest quality, most stress-free surface finish possible. It has been instrumental in evaluating and refining methods used to produce high quality crystals. Topographical analysis has shown to be an effective method to quantify and determine the distribution of stresses, to help identify methods that would mitigate the stresses and improve the Rocking curve, and to create CCD images of the crystal. This paper describes the topography process and offers methods for reducing crystal stresses in order to substantially improve the crystal optics.

Noise reduction methods for nucleic acid and macromolecule sequencing

Science.gov (United States)

Schuller, Ivan K.; Di Ventra, Massimiliano; Balatsky, Alexander

2018-05-08

Methods, systems, and devices are disclosed for processing macromolecule sequencing data with substantial noise reduction. In one aspect, a method for reducing noise in a sequential measurement of a macromolecule comprising serial subunits includes cross-correlating multiple measured signals of a physical property of subunits of interest of the macromolecule, the multiple measured signals including the time data associated with the measurement of the signal, to remove or at least reduce signal noise that is not in the same frequency and in phase with the systematic signal contribution of the measured signals.

Fully automatic characterization and data collection from crystals of biological macromolecules

International Nuclear Information System (INIS)

Svensson, Olof; Malbet-Monaco, Stéphanie; Popov, Alexander; Nurizzo, Didier; Bowler, Matthew W.

2015-01-01

A fully automatic system has been developed that performs X-ray centring and characterization of, and data collection from, large numbers of cryocooled crystals without human intervention. Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual intervention in the most repetitive steps of structural biology projects, initial screening and data collection, a fully automatic system has been developed to mount, locate, centre to the optimal diffraction volume, characterize and, if possible, collect data from multiple cryocooled crystals. Using the capabilities of pixel-array detectors, the system is as fast as a human operator, taking an average of 6 min per sample depending on the sample size and the level of characterization required. Using a fast X-ray-based routine, samples are located and centred systematically at the position of highest diffraction signal and important parameters for sample characterization, such as flux, beam size and crystal volume, are automatically taken into account, ensuring the calculation of optimal data-collection strategies. The system is now in operation at the new ESRF beamline MASSIF-1 and has been used by both industrial and academic users for many different sample types, including crystals of less than 20 µm in the smallest dimension. To date, over 8000 samples have been evaluated on MASSIF-1 without any human intervention

Fully automatic characterization and data collection from crystals of biological macromolecules

Energy Technology Data Exchange (ETDEWEB)

Svensson, Olof; Malbet-Monaco, Stéphanie; Popov, Alexander; Nurizzo, Didier, E-mail: nurizzo@esrf.fr [European Synchrotron Radiation Facility, 71 Avenue des Martyrs, CS 40220, 38043 Grenoble (France); Bowler, Matthew W., E-mail: nurizzo@esrf.fr [European Molecular Biology Laboratory, Grenoble Outstation, 71 Avenue des Martyrs, CS 90181, 38042 Grenoble (France); Université Grenoble Alpes–EMBL–CNRS, Grenoble Outstation, 71 Avenue des Martyrs, CS 90181, 38042 Grenoble (France); European Synchrotron Radiation Facility, 71 Avenue des Martyrs, CS 40220, 38043 Grenoble (France)

2015-07-31

A fully automatic system has been developed that performs X-ray centring and characterization of, and data collection from, large numbers of cryocooled crystals without human intervention. Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual intervention in the most repetitive steps of structural biology projects, initial screening and data collection, a fully automatic system has been developed to mount, locate, centre to the optimal diffraction volume, characterize and, if possible, collect data from multiple cryocooled crystals. Using the capabilities of pixel-array detectors, the system is as fast as a human operator, taking an average of 6 min per sample depending on the sample size and the level of characterization required. Using a fast X-ray-based routine, samples are located and centred systematically at the position of highest diffraction signal and important parameters for sample characterization, such as flux, beam size and crystal volume, are automatically taken into account, ensuring the calculation of optimal data-collection strategies. The system is now in operation at the new ESRF beamline MASSIF-1 and has been used by both industrial and academic users for many different sample types, including crystals of less than 20 µm in the smallest dimension. To date, over 8000 samples have been evaluated on MASSIF-1 without any human intervention.

Antimicrobial resistance challenged with metal-based antimicrobial macromolecules.

Science.gov (United States)

Abd-El-Aziz, Alaa S; Agatemor, Christian; Etkin, Nola

2017-02-01

Antimicrobial resistance threatens the achievements of science and medicine, as it deactivates conventional antimicrobial therapeutics. Scientists respond to the threat by developing new antimicrobial platforms to prevent and treat infections from these resistant strains. Metal-based antimicrobial macromolecules are emerging as an alternative to conventional platforms because they combine multiple mechanisms of action into one platform due to the distinctive properties of metals. For example, metals interact with intracellular proteins and enzymes, and catalyse various intracellular processes. The macromolecular architecture offers a means to enhance antimicrobial activity since several antimicrobial moieties can be conjugated to the scaffold. Further, these macromolecules can be fabricated into antimicrobial materials for contact-killing medical implants, fabrics, and devices. As volatilization or leaching out of the antimicrobial moieties from the macromolecular scaffold is reduced, these medical implants, fabrics, and devices can retain their antimicrobial activity over an extended period. Recent advances demonstrate the potential of metal-based antimicrobial macromolecules as effective platforms that prevent and treat infections from resistant strains. In this review these advances are thoroughly discussed within the context of examples of metal-based antimicrobial macromolecules, their mechanisms of action and biocompatibility. Copyright © 2016 Elsevier Ltd. All rights reserved.

Fully automatic characterization and data collection from crystals of biological macromolecules.

Science.gov (United States)

Svensson, Olof; Malbet-Monaco, Stéphanie; Popov, Alexander; Nurizzo, Didier; Bowler, Matthew W

2015-08-01

Considerable effort is dedicated to evaluating macromolecular crystals at synchrotron sources, even for well established and robust systems. Much of this work is repetitive, and the time spent could be better invested in the interpretation of the results. In order to decrease the need for manual intervention in the most repetitive steps of structural biology projects, initial screening and data collection, a fully automatic system has been developed to mount, locate, centre to the optimal diffraction volume, characterize and, if possible, collect data from multiple cryocooled crystals. Using the capabilities of pixel-array detectors, the system is as fast as a human operator, taking an average of 6 min per sample depending on the sample size and the level of characterization required. Using a fast X-ray-based routine, samples are located and centred systematically at the position of highest diffraction signal and important parameters for sample characterization, such as flux, beam size and crystal volume, are automatically taken into account, ensuring the calculation of optimal data-collection strategies. The system is now in operation at the new ESRF beamline MASSIF-1 and has been used by both industrial and academic users for many different sample types, including crystals of less than 20 µm in the smallest dimension. To date, over 8000 samples have been evaluated on MASSIF-1 without any human intervention.

System for determining sizes of biological macromolecules

International Nuclear Information System (INIS)

Nelson, R.M.; Danby, P.C.

1987-01-01

An electrophoresis system for determining the sizes of radiolabelled biological macromolecules is described. It comprises a cell containing an electrophoresis gel and having at least one lane, a voltage source connected across the gel for effecting the movement of macromolecules in the lane, a detector fixed relative to the moving molecules for generating electrical pulses responsive to signals emitted by the radiolabelled molecules; a pulse processor for counting the pulse rate, and a computational device for comparing the pulse rate to a predetermined value. (author)

Quality evaluation of resistivity-controlled silicon crystals

Science.gov (United States)

Wang, Jong Hoe

2006-01-01

The segregation phenomenon of dopants causes a low production yield of silicon crystal that meets the resistivity tolerance required by device manufacturers. In order to control the macroscopic axial resistivity distribution in bulk crystal growth, numerous studies including continuous Czochralski method and double crucible technique have been studied. The simple B-P codoping method for improving the productivity of p-type silicon single-crystal growth by controlling axial specific resistivity distribution was proposed by Wang [Jpn. J. Appl. Phys. 43 (2004) 4079]. In this work, the quality of Czochralski-grown silicon single crystals with a diameter 200 mm using B-P codoping method was studied from the chemical and structural points of view. It was found that the characteristics of B-P codoped wafers including the oxygen precipitation behavior and the grown-in defects are same as that of conventional B-doped Czochralski crystals.

Chaperoning Roles of Macromolecules Interacting with Proteins in Vivo

Directory of Open Access Journals (Sweden)

Baik L. Seong

2011-03-01

Full Text Available The principles obtained from studies on molecular chaperones have provided explanations for the assisted protein folding in vivo. However, the majority of proteins can fold without the assistance of the known molecular chaperones, and little attention has been paid to the potential chaperoning roles of other macromolecules. During protein biogenesis and folding, newly synthesized polypeptide chains interact with a variety of macromolecules, including ribosomes, RNAs, cytoskeleton, lipid bilayer, proteolytic system, etc. In general, the hydrophobic interactions between molecular chaperones and their substrates have been widely believed to be mainly responsible for the substrate stabilization against aggregation. Emerging evidence now indicates that other features of macromolecules such as their surface charges, probably resulting in electrostatic repulsions, and steric hindrance, could play a key role in the stabilization of their linked proteins against aggregation. Such stabilizing mechanisms are expected to give new insights into our understanding of the chaperoning functions for de novo protein folding. In this review, we will discuss the possible chaperoning roles of these macromolecules in de novo folding, based on their charge and steric features.

Modelisation of the concentration of macromolecules moving in a Newtonian fluid

International Nuclear Information System (INIS)

Hijazi, A.; Zoaeter, M.; Khater, A.; Aussere, D.

1998-01-01

Author.This article presents a modelisation of the distribution of a diluted solution of macromolecules submitted to a simple flow in the neighborhood of a non-absorbing solid surface. These macromolecules (length L, negligible diameter) are submitted to two kinds of forces: rotational and translational with brownian and hydrodynamic origins. The evolution of orientation of these molecules in terms of time has been studied, given Einstein equation =D with D coefficient of translation and rotation. By taking as parameters the orientation θ of the macromolecules with respect to an horizontal axis and Z the distance between these macromolecules and the surface, a statistical study has led to determine the distribution. For that reason, the brownian movement considered is supposed to follow a rule of random probability

Positron annihilation lifetime spectroscopy of macromolecules

International Nuclear Information System (INIS)

Simon, G.

1996-01-01

Positron annihilation lifetime spectroscopy (PALS) is a technique which makes use of the anti- particle of the electron, the positron (e + ), first predicted by Dirac in 1931. This talk will concentrate on the use of PALS as a technique in characterising macromolecules. PALS has been used by various groups to evaluate many properties that one associates with free volume such as physical ageing, gas permeability, the glass transition, uptake of a solvent, crystallinity, crosslinking, molecular mobility. One area of much interest has been the use of this technique in looking at miscibility of polymer blends. In miscible blends, the interactions of the different polymers may be expected to lead to a negative free volume of mixing because of the strong attraction between the different chains. This may influence the free volume properties. Conversely, if a material is partially miscible or totally immiscible, this should influence both the size and total content of free volume. This should be related to other properties such as mechanical properties and molecular mobility, such as measured by dielectric relaxation spectroscopy. Variations on this involve copolymerization of crosslinked materials or linear thermoplastics (the ultimate 'molecular' miscibility) and this will also be discussed. Multiphase systems such as water uptake in polymers can vary polymer properties by filling molecular voids, as well as disturbing chain conformations and, in the case of polar polymers, associating with the polymer chains. The effect of polymer molecular structure on free volume - particularly in rigid polymer chains such as substituted poly(phenylenes) and liquid crystalline polymers will also be presented. Indeed, the unusual packing which arises from such anisotropic molecules leads to unusual behaviours both of the homolpolymers and subsequent liquid crystal polymer - liquid crystal polymer blends

General crystal in prebiotic context

International Nuclear Information System (INIS)

Simon, I.

1993-09-01

General crystal is an extension of the crystal concept to any form of matter which exhibit neighbour structure determination. This extension makes many results of solid state physics applicable to heterogeneous matter. Among other it includes the description of phase transition from random to unique structure. The advantage of the general crystal approach is demonstrated on globular protein, on of the most important macromolecules of life, which are capable to adopt unique 3D structure spontaneously, regardless of the heterogeneous character of their chemical structure and conformation. It is suggested that the use of general crystal concept may help to find candidates among heterogeneous matters capable to spontaneous self-organization in the same way as crystallization results in unique structure of homogeneous matter, and to apply some of the results of solid state physics to describe the phase transition and other behaviour of this matter. (author). 10 refs

Induced liquid-crystalline ordering in solutions of stiff and flexible amphiphilic macromolecules: Effect of mixture composition

International Nuclear Information System (INIS)

Glagolev, Mikhail K.; Vasilevskaya, Valentina V.; Khokhlov, Alexei R.

2016-01-01

Impact of mixture composition on self-organization in concentrated solutions of stiff helical and flexible macromolecules was studied by means of molecular dynamics simulation. The macromolecules were composed of identical amphiphilic monomer units but a fraction f of macromolecules had stiff helical backbones and the remaining chains were flexible. In poor solvents the compacted flexible macromolecules coexist with bundles or filament clusters from few intertwined stiff helical macromolecules. The increase of relative content f of helical macromolecules leads to increase of the length of helical clusters, to alignment of clusters with each other, and then to liquid-crystalline-like ordering along a single direction. The formation of filament clusters causes segregation of helical and flexible macromolecules and the alignment of the filaments induces effective liquid-like ordering of flexible macromolecules. A visual analysis and calculation of order parameter relaying the anisotropy of diffraction allow concluding that transition from disordered to liquid-crystalline state proceeds sharply at relatively low content of stiff components.

High-quality bulk hybrid perovskite single crystals within minutes by inverse temperature crystallization

KAUST Repository

Saidaminov, Makhsud I.; Abdelhady, Ahmed L.; Banavoth, Murali; Alarousu, Erkki; Burlakov, Victor M.; Peng, Wei; Dursun, Ibrahim; Wang, Lingfei; He, Yao; Maculan, Giacomo; Goriely, Alain; Wu, Tao; Mohammed, Omar F.; Bakr, Osman

2015-01-01

Single crystals of methylammonium lead trihalide perovskites (MAPbX3; MA=CH3NH3+, X=Br− or I−) have shown remarkably low trap density and charge transport properties; however, growth of such high-quality semiconductors is a time-consuming process

Improvement of seawater salt quality by hydro-extraction and re-crystallization methods

Science.gov (United States)

Sumada, K.; Dewati, R.; Suprihatin

2018-01-01

Indonesia is one of the salt producing countries that use sea water as a source of raw materials, the quality of salt produced is influenced by the quality of sea water. The resulting average salt quality contains 85-90% NaCl. The Indonesian National Standard (SNI) for human salt’s consumption sodium chloride content is 94.7 % (dry base) and for industrial salt 98,5 %. In this study developed the re-crystallization without chemical and hydro-extraction method. The objective of this research to choose the best methods based on efficiency. The results showed that re-crystallization method can produce salt with NaCl content 99,21%, while hydro-extraction method content 99,34 % NaCl. The salt produced through both methods can be used as a consumption and industrial salt, Hydro-extraction method is more efficient than re-crystallization method because re-crystallization method requires heat energy.

High-quality PWO crystals for the PANDA-EMC

International Nuclear Information System (INIS)

Novotny, R W; Bremer, D; Dormenev, V; Drexler, P; Eissner, T; Kuske, T; Moritz, M

2011-01-01

The paper provides a status report on the crystal production and quality control of a major part of the PbWO 4 crystals for the PANDA-EMC. The results confirm the excellent performance of the new generation of PWO-II. The mechanism of stimulated recovery provides an additional tool to recover radiation damage at room and low temperatures by applying an external infrared light source. Even on-line recovery can be considered if the photo sensor is insensitive in that particular wavelength region.

Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Bacteria Cells

Science.gov (United States)

2016-07-01

HIGHLY RESOLVED SUB-TERAHERTZ VIBRATIONAL SPECTROSCOPY OF BIOLOGICAL MACROMOLECULES AND BACTERIA CELLS ECBC...SUBTITLE Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Bacteria Cells 5a. CONTRACT NUMBER W911SR-14-P...22 4.3 Bacteria THz Study

Complex formation ions calcium with macromolecules pectin

International Nuclear Information System (INIS)

Khalikova, M.D.; Avloev, Kh.Kh.; Muhiddinov, Z.K.

2005-01-01

In clause the mechanism of sorption of ions of calcium by macromolecules of pectin is opened. Is shown, that the linkage of ions of calcium descends on acid bunches of pectin, and process carries cooperative character

Approach for growth of high-quality and large protein crystals

Energy Technology Data Exchange (ETDEWEB)

Matsumura, Hiroyoshi, E-mail: matsumura@chem.eng.osaka-u.ac.jp [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Sugiyama, Shigeru; Hirose, Mika; Kakinouchi, Keisuke; Maruyama, Mihoko; Murai, Ryota [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); Adachi, Hiroaki; Takano, Kazufumi [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Murakami, Satoshi [JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan); Graduate School of Bioscience and Biotechnology, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 226-8501 (Japan); Mori, Yusuke; Inoue, Tsuyoshi [Graduate School of Engineering, Osaka University, Suita, Osaka 565-0871 (Japan); JST (Japan); SOSHO Inc., Osaka 541-0053 (Japan)

2011-01-01

Three crystallization methods, including crystallization in the presence of a semi-solid agarose gel, top-seeded solution growth (TSSG) and a large-scale hanging-drop method, have previously been presented. In this study, crystallization has been further evaluated in the presence of a semi-solid agarose gel by crystallizing additional proteins. A novel crystallization method combining TSSG and the large-scale hanging-drop method has also been developed. Three crystallization methods for growing large high-quality protein crystals, i.e. crystallization in the presence of a semi-solid agarose gel, top-seeded solution growth (TSSG) and a large-scale hanging-drop method, have previously been presented. In this study the effectiveness of crystallization in the presence of a semi-solid agarose gel has been further evaluated by crystallizing additional proteins in the presence of 2.0% (w/v) agarose gel, resulting in complete gelification with high mechanical strength. In TSSG the seed crystals are hung by a seed holder protruding from the top of the growth vessel to prevent polycrystallization. In the large-scale hanging-drop method, a cut pipette tip was used to maintain large-scale droplets consisting of protein–precipitant solution. Here a novel crystallization method that combines TSSG and the large-scale hanging-drop method is reported. A large and single crystal of lysozyme was obtained by this method.

Development for equipment of the milk macromolecules content detection

Science.gov (United States)

Ding, Guochao; Li, Weimin; Shang, Tingyi; Xi, Yang; Gao, Yunli; Zhou, Zhen

Developed an experimental device for rapid and accurate detection of milk macromolecular content. This device developed based on laser scattered through principle, the principle use of the ingredients of the scattered light and transmitted light ratio characterization of macromolecules. Peristaltic pump to achieve automatic input and output of the milk samples, designing weak signal detection amplifier circuit for detecting the ratio with ICL7650. Real-time operating system μC / OS-II is the core design of the software part of the whole system. The experimental data prove that the device can achieve a fast real-time measurement of milk macromolecules.

Single molecule optical measurements of orientation and rotations of biological macromolecules

OpenAIRE

Shroder, Deborah Y; Lippert, Lisa G; Goldman, Yale E

2016-01-01

The subdomains of macromolecules often undergo large orientation changes during their catalytic cycles that are essential for their activity. Tracking these rearrangements in real time opens a powerful window into the link between protein structure and functional output. Site-specific labeling of individual molecules with polarized optical probes and measuring their spatial orientation can give insight into the crucial conformational changes, dynamics, and fluctuations of macromolecules. Here...

Scalable synthesis of sequence-defined, unimolecular macromolecules by Flow-IEG

Science.gov (United States)

Leibfarth, Frank A.; Johnson, Jeremiah A.; Jamison, Timothy F.

2015-01-01

We report a semiautomated synthesis of sequence and architecturally defined, unimolecular macromolecules through a marriage of multistep flow synthesis and iterative exponential growth (Flow-IEG). The Flow-IEG system performs three reactions and an in-line purification in a total residence time of under 10 min, effectively doubling the molecular weight of an oligomeric species in an uninterrupted reaction sequence. Further iterations using the Flow-IEG system enable an exponential increase in molecular weight. Incorporating a variety of monomer structures and branching units provides control over polymer sequence and architecture. The synthesis of a uniform macromolecule with a molecular weight of 4,023 g/mol is demonstrated. The user-friendly nature, scalability, and modularity of Flow-IEG provide a general strategy for the automated synthesis of sequence-defined, unimolecular macromolecules. Flow-IEG is thus an enabling tool for theory validation, structure–property studies, and advanced applications in biotechnology and materials science. PMID:26269573

Prevention of H-Aggregates Formation in Cy5 Labeled Macromolecules

Directory of Open Access Journals (Sweden)

Jing Kang

2010-01-01

Full Text Available H-aggregates of the cyanine dye Cy5 are formed during covalent linkage to the cationic macromolecule Poly(allylamine (PAH. The nonfluorescent H-aggregates strongly restrict the usage of the dye for analytical purposes and prevent a quantitative determination of the labeled macromolecules. The behavior of the H-aggregates has been studied by investigation of the absorption and fluorescence spectra of the dye polymer in dependence on solvent, label degree and additional sulfonate groups. H-aggregate formation is caused by an inhomogeneous distribution of the Cy5 molecules on the polymer chain. The H-aggregates can be destroyed by conformational changes of the PAH induced by interactions with polyanions or in organic solvents. It has been found that the polymer labeling process in high content of organic solvents can prevent the formation of H-aggregates. The results offer a better understanding and improvement of the use of the Cy5 dye for labeling purposes in fluorescence detection of macromolecules.

Angle-resolved reflection spectroscopy of high-quality PMMA opal crystal

Science.gov (United States)

Nemtsev, Ivan V.; Tambasov, Igor A.; Ivanenko, Alexander A.; Zyryanov, Victor Ya.

2018-02-01

PMMA opal crystal was prepared by a simple hybrid method, which includes sedimentation, meniscus formation and evaporation. We investigated three surfaces of this crystal by angle-resolved reflective light spectroscopy and SEM study. The angle-resolved reflective measurements were carried out in the 400-1100 nm range. We have determined the high-quality ordered surface of the crystal region. Narrow particle size distribution of the surface has been revealed. The average particle diameter obtained with SEM was nearly 361 nm. The most interesting result was that reflectivity of the surface turned out up to 98% at normal light incidence. Using a fit of dependences of the maximum reflectivity wavelength from an angle based on the Bragg-Snell law, the wavelength of maximum 0° reflectivity, the particle diameter and the fill factor have been determined. For the best surface maximum reflectivity wavelength of a 0° angle was estimated to be 869 nm. The particle diameter and fill factor were calculated as 372 nm and 0.8715, respectively. The diameter obtained by fitting is in excellent agreement with the particle diameter obtained with SEM. The reflectivity maximum is assumed to increase significantly when increasing the fill factor. We believe that using our simple approach to manufacture PMMA opal crystals will significantly increase the fabrication of high-quality photonic crystal templates and thin films.

Quality inspection of anisotropic scintillating crystals through measurement of interferometric fringe pattern parameters

CERN Document Server

Cocozzella, N; Majni, G; Paone, N; Rinaldi, D T

2001-01-01

Scintillating crystals are widely used as detectors in radiographic systems, computerized axial tomography devices and in calorimeters employed in high-energy physics. This paper results from a project motivated by the development of the CMS calorimeter at CERN, which will make use of a large number of scintillating crystals. In order to prevent crystals from breaking because of internal residual stress, a quality control system based on optic inspection of interference fringe patterns was developed. The principle of measurement procedures was theoretically modelled, and then a dedicated polariscope was designed and built, in order to observe the crystals under induced stresses or to evaluate the residual internal stresses. The results are innovative and open a new perspective for scintillating crystals quality control: the photoelastic constant normal to the optic axis of the lead tungstate crystals (PbWO sub 4) was measured, and the inspection procedure developed is applicable to mass production, not only t...

High throughput screening of ligand binding to macromolecules using high resolution powder diffraction

Science.gov (United States)

Von Dreele, Robert B.; D'Amico, Kevin

2006-10-31

A process is provided for the high throughput screening of binding of ligands to macromolecules using high resolution powder diffraction data including producing a first sample slurry of a selected polycrystalline macromolecule material and a solvent, producing a second sample slurry of a selected polycrystalline macromolecule material, one or more ligands and the solvent, obtaining a high resolution powder diffraction pattern on each of said first sample slurry and the second sample slurry, and, comparing the high resolution powder diffraction pattern of the first sample slurry and the high resolution powder diffraction pattern of the second sample slurry whereby a difference in the high resolution powder diffraction patterns of the first sample slurry and the second sample slurry provides a positive indication for the formation of a complex between the selected polycrystalline macromolecule material and at least one of the one or more ligands.

High quality self-separated GaN crystal grown on a novel nanoporous template by HVPE.

Science.gov (United States)

Huo, Qin; Shao, Yongliang; Wu, Yongzhong; Zhang, Baoguo; Hu, Haixiao; Hao, Xiaopeng

2018-02-16

In this study, a novel nanoporous template was obtained by a two-step etching process from MOCVD-GaN/Al 2 O 3 (MGA) with electrochemical etching sequentially followed by chemical wet etching. The twice-etched MOCVD-GaN/Al 2 O 3 (TEMGA) templates were utilized to grow GaN crystals by hydride vapor phase epitaxy (HVPE) method. The GaN crystals were separated spontaneously from the TEMGA template with the assistance of voids formed by the etched nanopores. Several techniques were utilized to characterize the quality of the free-standing GaN crystals obtained from the TEMGA template. Results showed that the quality of the as-obtained GaN crystals was improved obviously compared with those grown on the MGA. This convenient technique can be applied to grow high-quality free-standing GaN crystals.

Effect of leucine-to-methionine substitutions on the diffraction quality of histone chaperone SET/TAF-Ibeta/INHAT crystals.

Science.gov (United States)

Senda, Miki; Muto, Shinsuke; Horikoshi, Masami; Senda, Toshiya

2008-10-01

One of the most frequent problems in crystallization is poor quality of the crystals. In order to overcome this obstacle several methods have been utilized, including amino-acid substitutions of the target protein. Here, an example is presented of crystal-quality improvement by leucine-to-methionine substitutions. A variant protein with three amino-acid substitutions enabled improvement of the crystal quality of the histone chaperone SET/TAF-Ibeta/INHAT when combined with optimization of the cryoconditions. This procedure improved the resolution of the SET/TAF-Ibeta/INHAT crystals from around 5.5 to 2.3 A without changing the crystallization conditions.

Equilibrium Kinetics Studies and Crystallization Aboard the International Space Station (ISS) Using the Protein Crystallization Apparatus for Microgravity (PCAM)

Science.gov (United States)

Achari, Aniruddha; Roeber, Dana F.; Barnes, Cindy L.; Kundrot, Craig E.; Stinson, Thomas N. (Technical Monitor)

2002-01-01

Protein Crystallization Apparatus in Microgravity (PCAM) trays have been used in Shuttle missions to crystallize proteins in a microgravity environment. The crystallization experiments are 'sitting drops' similar to that in Cryschem trays, but the reservoir solution is soaked in a wick. From early 2001, crystallization experiments are conducted on the International Space Station using mission durations of months rather than two weeks on previous shuttle missions. Experiments were set up in April 2001 on Flight 6A to characterize the time crystallization experiments will take to reach equilibrium in a microgravity environment using salts, polyethylene glycols and an organic solvent as precipitants. The experiments were set up to gather data for a series of days of activation with different droplet volumes and precipitants. The experimental set up on ISS and results of this study will be presented. These results will help future users of PCAM to choose precipitants to optimize crystallization conditions for their target macromolecules for a particular mission with known mission duration. Changes in crystal morphology and size between the ground and space grown crystals of a protein and a protein -DNA complex flown on the same mission will also be presented.

An investigation of the shedding of macromolecules from the Ehrlich mouse ascites tumor cell

International Nuclear Information System (INIS)

Edwards, E.H.

1984-01-01

The spontaneous release, or shedding, of cell surface components into the extracellular medium may be important in the determination of several features of the cancer cell phenotype. The release of macromolecules from the Erhlich mouse ascites tumor cell was studied under a variety of experimental conditions to elucidate the origin and the underlying mechanisms of release. The extrinsic macromolecules are a diverse group with apparent molecular weights ranging from 13,500 to 400,000 daltons. External labeling of the cell surface with tritiated 4,4'-diisothiocyano-1,2-diphenylethane-2,2-disulfonic acid ([ 3 H]H 2 DIDS) reveals a slow loss of labeled components at 4 degrees C, while at 21 degrees C and 37 degrees C an initial rapid loss is followed by a slower release. In vitro metabolic labeling with [1- 14 C]-D-glucosamine hydrochloride, D-[2- 3 H]-mannose and various [ 3 H]-L-amino acids results in the appearance of labeled macromolecules in the medium suggesting tumor, not mouse, origin. These data suggest that the extrinsic macromolecules originate from the cell surface. Macromolecules are shed by a temperature and pH sensitive process. These results suggest that a limited proteolytic digestion, or sublethal autolysis, of the cell surface may occur in this system. The macromolecules shed by the Ehrlich cell originate from the surface and are probably released by sublethal autolysis, direct secretion and a passive process

Universal aspects of macromolecules in polymer blends, solutions, and supercritical mixtures

International Nuclear Information System (INIS)

Melnichenko, Y.B.; Wignall, G.D.; Schwahn, D.

2002-01-01

We demonstrate that macromolecules in miscible polymer blends may behave as good, Θ, and poor polymeric solvents for each other. We construct a conceptual phase diagram, delineating the range of validity of the random-phase approximation, outside of which polymers contract or expand beyond their unperturbed dimensions, contrary to common assumptions. Remarkably, the correlation length for polymer blends, solutions, and supercritical mixtures collapses onto a master curve, reflecting universal behavior for macromolecules in polymeric and small-molecule Θ solvents

Performance of ACCOS, an automatic crystal quality control system for the PWO crystals of the CMS calorimeter

CERN Document Server

Auffray, Etiennette; Freire, M; Lecoq, P; Le Goff, J M; Marcos, R; Drobychev, G Yu; Missevitch, O V; Oskine, A; Zouevski, R F; Peigneux, J P; Schneegans, M

2001-01-01

Nearly 80000 PWO crystals for the CMS electromagnetic calorimeter will arrive at CERN/Geneva and INFN-ENEA/Rome between now and year 2004. The stringent specifications on their dimensions and optical quality have to be verified prior to their formal acceptation. Automatic systems for measuring the critical parameters of each crystal and recording them in a database have been designed and constructed. The first machine is now in stable operation at CERN. In this note, the performance of each instrument, based on the measurements on ~1000 pre-production crystals, is analysed in terms of stability and compared to the results of conventional benches. (9 refs).

Investigating the nucleation of protein crystals with hydrostatic pressure

Energy Technology Data Exchange (ETDEWEB)

Kadri, A [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France); Damak, M [Laboratoire de Chimie des Substances Naturelles, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Jenner, G [Laboratoire de Piezochimie Organique, UMR 7123, Faculte de Chimie, Universite Louis Pasteur, 1 rue Blaise Pascal, F-67008 Strasbourg Cedex (France); Lorber, B [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France); Giege, R [Departement ' Mecanismes et Macromolecules de la Synthese Proteique et Cristallogenese' UPR 9002, Institut de Biologie Moleculaire et Cellulaire du CNRS, 15 rue Rene Descartes, F-67084 Strasbourg Cedex (France)

2003-12-17

Hydrostatic pressure in the 0.1-75 MPa range has been used as a non-invasive tool to study the crystallization process of the tetragonal crystal form of the protein thaumatin (M{sub r} 22 200). Crystals were prepared within agarose gel and at temperatures in the range from 283 to 303 K. The solubility, i.e. the concentration of soluble macromolecules remaining in equilibrium with the crystals, decreases when the pressure increases and when the temperature decreases. High pressure was used to probe the nucleation behaviour of thaumatin. The pressure dependence of the nucleation rate leads to an activation volume of -46.5cm{sup 3} mol{sup -1}. It is shown that an increase in pressure decreases the enthalpy, the entropy and the free energy of crystallization of thaumatin. The data are discussed in the light of the results of crystallographic analyses and of the structure of the protein.

Investigating the nucleation of protein crystals with hydrostatic pressure

International Nuclear Information System (INIS)

Kadri, A; Damak, M; Jenner, G; Lorber, B; Giege, R

2003-01-01

Hydrostatic pressure in the 0.1-75 MPa range has been used as a non-invasive tool to study the crystallization process of the tetragonal crystal form of the protein thaumatin (M r 22 200). Crystals were prepared within agarose gel and at temperatures in the range from 283 to 303 K. The solubility, i.e. the concentration of soluble macromolecules remaining in equilibrium with the crystals, decreases when the pressure increases and when the temperature decreases. High pressure was used to probe the nucleation behaviour of thaumatin. The pressure dependence of the nucleation rate leads to an activation volume of -46.5cm 3 mol -1 . It is shown that an increase in pressure decreases the enthalpy, the entropy and the free energy of crystallization of thaumatin. The data are discussed in the light of the results of crystallographic analyses and of the structure of the protein

The flavonoid herbacetin diglucoside as a constituent of the lignan macromolecule from flaxseed hulls

NARCIS (Netherlands)

Struijs, K.; Vincken, J.P.; Verhoef, R.P.; Oostveen, van W.H.M.; Voragen, A.G.J.; Gruppen, H.

2007-01-01

Lignans in flaxseed are known to be part of a macromolecule in which they are connected through the linker-molecule hydroxy-methyl-glutaric acid (HMGA). In this study, the lignan macromolecule was extracted from flaxseed hulls and degraded to its monomeric constituents by complete saponification.

The radiation chemistry of macromolecules

CERN Document Server

1973-01-01

The Radiation Chemistry of Macromolecules, Volume II is a collection of papers that discusses radiation chemistry of specific systems. Part 1 deals with radiation chemistry of substituted vinyl polymers, particularly polypropylene (PP) as its structure is intermediate between polyethylene and polyisobutylene. This part also discusses polypropylene oxide (PPOx) for it can be prepared in the atactic, isotactic, and optically active forms. One paper focuses on the fundamental chemical processes and the changes in physical properties that give rise to many different applications of polystyrene. An

Measuring Beam Quality of Hollow Core Photonic Crystal Fibers

DEFF Research Database (Denmark)

Shephard, J.D.; Roberts, John; Jones, J.D.C.

2006-01-01

In this paper, the authors measure the quality of the delivered beam from hollow core photonic crystal fibers (HC-PCFs). The$M^2$parameter is determined, and the near- to far-field transition is examined. The influence on these properties due to the presence of a core surround mode is evaluated.......17 for the same output beam. This highlights the need for careful consideration when measuring and describing the beam quality delivered by these novel photonic fibers....

Effect of leucine-to-methionine substitutions on the diffraction quality of histone chaperone SET/TAF-Iβ/INHAT crystals

International Nuclear Information System (INIS)

Senda, Miki; Muto, Shinsuke; Horikoshi, Masami; Senda, Toshiya

2008-01-01

The combination of leucine-to-methionine substitutions and optimization of cryoconditions improved the resolution of histone chaperone SET/TAF-Iβ/INHAT crystals from around 5.5 to 2.3 Å without changing the crystallization conditions, allowing successful structure determination of SET/TAF-Iβ/INHAT by the multiwavelength anomalous diffraction method. One of the most frequent problems in crystallization is poor quality of the crystals. In order to overcome this obstacle several methods have been utilized, including amino-acid substitutions of the target protein. Here, an example is presented of crystal-quality improvement by leucine-to-methionine substitutions. A variant protein with three amino-acid substitutions enabled improvement of the crystal quality of the histone chaperone SET/TAF-Iβ/INHAT when combined with optimization of the cryoconditions. This procedure improved the resolution of the SET/TAF-Iβ/INHAT crystals from around 5.5 to 2.3 Å without changing the crystallization conditions

Classification of the ejection mechanisms of charged macromolecules from liquid droplets.

Science.gov (United States)

Consta, Styliani; Malevanets, Anatoly

2013-01-28

The relation between the charge state of a macromolecule and its ejection mechanism from droplets is one of the important questions in electrospray ionization methods. In this article, effects of solvent-solute interaction on the manifestation of the charge induced instability in a droplet are examined. We studied the instabilities in a prototype system of a droplet comprised of charged poly(ethylene glycol) and methanol, acetonitrile, and water solvents. We observed instances of three, previously only conjectured, [S. Consta, J. Phys. Chem. B 114, 5263 (2010)] mechanisms of macroion ejection. The mechanism of ejection of charged macroion in methanol is reminiscent of "pearl" model in polymer physics. In acetonitrile droplets, the instability manifests through formation of solvent spines around the solvated macroion. In water, we find that the macroion is ejected from the droplet through contiguous extrusion of a part of the chain. The difference in the morphology of the instabilities is attributed to the interplay between forces arising from the macroion solvation energy and the surface energy of the droplet interface. For the contiguous extrusion of a charged macromolecule from a droplet, we demonstrate that the proposed mechanism leads to ejection of the macromolecule from droplets with sizes well below the Rayleigh limit. The ejected macromolecule may hold charge significantly higher than that suggested by prevailing theories. The simulations reveal new mechanisms of macroion evaporation that differ from conventional charge residue model and ion evaporation mechanisms.

Adsorption of charged macromolecules at a gold electrode

NARCIS (Netherlands)

Kleijn, J.M.; Barten, D.; Cohen Stuart, M.A.

2004-01-01

Using an optical reflectometer with impinging-jet system, the adsorption from aqueous solution onto gold of three charged macromolecules has been studied: the strong linear-chain polyelectrolyte polyvinyl pyridine (PVP +), the fifth-generation poly(propylene imine) dendrimer DAB-64, which has a

Improvement in the quality of hematopoietic prostaglandin D synthase crystals in a microgravity environment

International Nuclear Information System (INIS)

Tanaka, Hiroaki; Tsurumura, Toshiharu; Aritake, Kosuke; Furubayashi, Naoki; Takahashi, Sachiko; Yamanaka, Mari; Hirota, Erika; Sano, Satoshi; Sato, Masaru; Kobayashi, Tomoyuki; Tanaka, Tetsuo; Inaka, Koji; Urade, Yoshihiro

2011-01-01

Crystals of hematopoietic prostaglandin D synthase grown in microgravity show improved quality. Human hematopoietic prostaglandin synthase, one of the better therapeutic target enzymes for allergy and inflammation, was crystallized with 22 inhibitors and in three inhibitor-free conditions in microgravity. Most of the space-grown crystals showed better X-ray diffraction patterns than the terrestrially grown ones, indicating the advantage of a microgravity environment on protein crystallization, especially in the case of this protein

Surface quality inspection of PbWO4 crystals by grazing incidence X-ray diffraction

International Nuclear Information System (INIS)

Mengucci, P.; Di Cristoforo, A.; Lebeau, M.; Majni, G.; Paone, N.; Pietroni, P.; Rinaldi, D.

2005-01-01

High-quality scintillating crystals are required for applications in radiographic systems and high-energy physics detectors to achieve the specified optical properties. In order to study the state of the single crystals surface we propose the use of the grazing incidence X-ray diffraction (GID) technique. This technique allows performing a depth profiling of the sample by changing the incidence angle of the X-ray beam with respect to the sample surface. In this work, two samples of a large PbWO 4 (PWO) single crystal exhibiting different surface roughness values have been studied. Results have shown that GID is a suitable technique for surface quality inspection

Cross-Calibration of Two Automatic Quality Control Systems for the CMS ECAL Crystals

CERN Document Server

Auffray, Etiennette; Chevenier, Guy; Lecoq, Paul; Perez-Prado, P; Schneegans, Marc; Sempere-Roldan, P

2003-01-01

The barrel part of the CMS electromagnetic calorimeter consists of about 60000 PWO crystals and will be assembled in two Regional Centers, nearby Rome and at CERN. Two automatic machines have been designed to check the crystal quality before assembly. The main crystal characteristics are compared to a set of specifications included in the contract with the crystal producers. The stability and intercalibration between the two is a fundamental issue, which has to be controlled during the whole construction phase. This paper describes the checks that were made in order to cross calibrate the measurements and to guarantee a proper selection of crystals for the detector.

Characterization of biological macromolecules by electrophoresis and neutron activation

International Nuclear Information System (INIS)

Stone, S.F.; Hancock, D.; Zeisler, R.

1987-01-01

A procedure combining polyacrylamide gel electrophoresis (PAGE) with INAA and autoradiography was developed to study biological macromolecules and their associated trace elements. Results from the application of this method to several metalloproteins are presented. (author)

Synthesis and Characterization of a Chondroitin Sulfate Based Hybrid Bio/Synthetic Biomimetic Aggrecan Macromolecule

Science.gov (United States)

Sarkar, Sumona

Lower back pain resulting from intervertebral disc degeneration is one of the leading musculoskeletal disorders confronting our health system. In order to mechanically stabilize the disc early in the degenerative cascade and prevent the need for spinal fusion surgeries, we have proposed the development of a hybrid-bio/synthetic biomimetic proteoglycan macromolecule for injection into the disc in the early stages of degeneration. The goal of this thesis was to incorporate natural chondroitin sulfate (CS) chains into bottle brush polymer synthesis strategies for the fabrication of CS-macromolecules which mimic the proteoglycan structure and function while resisting enzymatic degradation. Both the "grafting-to" and "grafting-through" techniques of bottle brush synthesis were explored. CS was immobilized via a terminal primary amine onto a model polymeric backbone (polyacrylic acid) for investigation of the "grafting-to" strategy and an epoxy-amine step-growth polymerization technique was utilized for the "grafting-through" synthesis of CS-macromolecules with polyethylene glycol backbone segments. Incorporation of a synthetic polymeric backbone at the terminal amine of CS was confirmed via biochemical assays, 1H-NMR and FTIR spectroscopy, and CS-macromolecule size was demonstrated to be higher than that of natural CS via gel permeation chromatography, transmission electron microscopy and viscosity measurements. Further analysis of CS-macromolecule functionality indicated maintenance of natural CS properties such as high fixed charge density, high osmotic potential and low cytotoxicity with nucleus pulposus cells. These studies are the first attempt at the incorporation of natural CS into biomimetic bottle brush structures. CS-macromolecules synthesized via the methods developed in these studies may be utilized in the treatment and prevention of debilitating back pain as well as act as mimetics for other proteoglycans implicated in cartilage, heart valve, and nervous

Quality inspection of anisotropic scintillating lead tungstate (PbWO4) crystals through measurement of interferometric fringe pattern parameters

International Nuclear Information System (INIS)

Cocozzella, N.; Lebeau, M.; Majni, G.; Paone, N.; Rinaldi, D.

2001-01-01

Scintillating crystals are widely used as detectors in radiographic systems, computerized axial tomography devices and in calorimeters employed in high-energy physics. This paper results from a project motivated by the development of the CMS calorimeter at CERN, which will make use of a large number of scintillating crystals. In order to prevent crystals from breaking because of internal residual stress, a quality control system based on optic inspection of interference fringe patterns was developed. The principle of measurement procedures was theoretically modelled, and then a dedicated polariscope was designed and built, in order to observe the crystals under induced stresses or to evaluate the residual internal stresses. The results are innovative and open a new perspective for scintillating crystals quality control: the photoelastic constant normal to the optic axis of the lead tungstate crystals (PbWO 4 ) was measured, and the inspection procedure developed is applicable to mass production, not only to optimize the crystal processing, but also to establish a quality inspection procedure

Quality inspection of anisotropic scintillating lead tungstate (PbWO 4) crystals through measurement of interferometric fringe pattern parameters

Science.gov (United States)

Cocozzella, N.; Lebeau, M.; Majni, G.; Paone, N.; Rinaldi, D.

2001-08-01

Scintillating crystals are widely used as detectors in radiographic systems, computerized axial tomography devices and in calorimeters employed in high-energy physics. This paper results from a project motivated by the development of the CMS calorimeter at CERN, which will make use of a large number of scintillating crystals. In order to prevent crystals from breaking because of internal residual stress, a quality control system based on optic inspection of interference fringe patterns was developed. The principle of measurement procedures was theoretically modelled, and then a dedicated polariscope was designed and built, in order to observe the crystals under induced stresses or to evaluate the residual internal stresses. The results are innovative and open a new perspective for scintillating crystals quality control: the photoelastic constant normal to the optic axis of the lead tungstate crystals (PbWO 4) was measured, and the inspection procedure developed is applicable to mass production, not only to optimize the crystal processing, but also to establish a quality inspection procedure.

Method for selective immobilization of macromolecules on self assembled monolayer surfaces

Science.gov (United States)

Laskin, Julia [Richland, WA; Wang, Peng [Billerica, MA

2011-11-29

Disclosed is a method for selective chemical binding and immobilization of macromolecules on solid supports in conjunction with self-assembled monolayer (SAM) surfaces. Immobilization involves selective binding of peptides and other macromolecules to SAM surfaces using reactive landing (RL) of mass-selected, gas phase ions. SAM surfaces provide a simple and convenient platform for tailoring chemical properties of a variety of substrates. The invention finds applications in biochemistry ranging from characterization of molecular recognition events at the amino acid level and identification of biologically active motifs in proteins, to development of novel biosensors and substrates for stimulated protein and cell adhesion.

A thermally tunable inverse opal photonic crystal for monitoring glass transition.

Science.gov (United States)

Sun, Liguo; Xie, Zhuoying; Xu, Hua; Xu, Ming; Han, Guozhi; Wang, Cheng; Bai, Xuduo; Gu, ZhongZe

2012-03-01

An optical method was developed to monitor the glass transition of the polymer by taking advantage of reflection spectrum change of the thermally tunable inverse opal photonic crystal. The thermally tunable photonic bands of the polymer inverse opal photonic crystal were traceable to the segmental motion of macromolecules, and the segmental motion was temperature dependent. By observing the reflection spectrum change of the polystyrene inverse opal photonic crystal during thermal treatment, the glass transition temperature of polystyrene was gotten. Both changes of the position and intensity of the reflection peak were observed during the glass transition process of the polystyrene inverse opal photonic crystal. The optical change of inverse opal photonic crystal was so large that the glass transition temperature could even be estimated by naked eyes. The glass transition temperature derived from this method was consistent with the values measured by differential scanning calorimeter.

Macromolecule biosynthesis assay and fluorescence spectroscopy methods to explore antimicrobial peptide mode(s) of action

DEFF Research Database (Denmark)

Jana, Bimal; Baker, Kristin Renee; Guardabassi, Luca

2017-01-01

the biosynthesis rate of macromolecules (e.g., DNA, RNA, protein, and cell wall) and the cytoplasmic membrane proton motive force (PMF) energy can help to unravel the diverse modes of action of AMPs. Here, we present an overview of macromolecule biosynthesis rate measurement and fluorescence spectroscopy methods...

Dramatic Improvement of Crystal Quality for Low-temperature-grown Rabbit Muscle Aldolase

Energy Technology Data Exchange (ETDEWEB)

Park, H.; Rangarajan, E; Sygusch, J; Izard, T

2010-01-01

Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 {angstrom} Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase.

Science.gov (United States)

Park, Hajeung; Rangarajan, Erumbi S; Sygusch, Jurgen; Izard, Tina

2010-05-01

Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA-LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 A Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA-LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice.

Probing nanoparticle-macromolecule interaction and resultant structure by small-angle neutron scattering

International Nuclear Information System (INIS)

Aswal, V.K.

2013-01-01

Nanoparticles display unique and distinct characteristics from those of their constituent atoms and bulk materials which are being employed in numerous applications in the fields of medicine, electronics, optics, communications, energy, environment etc. Many of these applications require adjoining of nanoparticles with macromolecules such as proteins, polymers and surfactants to obtain functional objects. For example, nanoparticle-protein complexes are of great importance in controlling enzymatic behavior, targeted drug delivery and developing biocompatible materials. The nanoparticles interfaced with polymers are shown to be useful in developing protein sensor arrays. Interaction of surfactants with nanoparticles is utilized extensively for technical and industrial applications associated with colloidal stability, detergency and design of nanostructured functional interfaces. The interaction of two components, nanoparticles and macromolecule, strongly depends on the characteristics of both the nanoparticles (size, shape, surface roughness, charge density etc.) and macromolecules (type, charge, shape and solution conditions etc.) used. The interaction of macromolecule on nanoparticle surface is a cumulative effect of a number of forces such as electrostatic force, covalent bonding, hydrogen bonding, non-polar interaction, hydrophobic interactions etc. These interactions depending on the system conditions can lead to various structures. Small-angle neutron scattering (SANS) with the possibility to vary contrast is an ideal technique to study such multi-component systems. In this talk, some of our results of SANS from the complexes of nanoparticle-protein and nanoparticle surfactant systems will be discussed. (author)

A general method to study equilibrium partitioning of macromolecules

DEFF Research Database (Denmark)

The distribution of macromolecules between a confined microscopic solution and a macroscopic bulk solution plays an important role in understanding separation processes such as Size Exclusion Chromatography (SEC). In this study, we have developed an efficient computational algorithm for obtaining...

Single molecule optical measurements of orientation and rotations of biological macromolecules.

Science.gov (United States)

Shroder, Deborah Y; Lippert, Lisa G; Goldman, Yale E

2016-11-22

Subdomains of macromolecules often undergo large orientation changes during their catalytic cycles that are essential for their activity. Tracking these rearrangements in real time opens a powerful window into the link between protein structure and functional output. Site-specific labeling of individual molecules with polarized optical probes and measurement of their spatial orientation can give insight into the crucial conformational changes, dynamics, and fluctuations of macromolecules. Here we describe the range of single molecule optical technologies that can extract orientation information from these probes, review the relevant types of probes and labeling techniques, and highlight the advantages and disadvantages of these technologies for addressing specific inquiries.

Structure of single-chain single crystals of isotactic polystyrene and their radiation resistance

International Nuclear Information System (INIS)

Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze

1997-01-01

The structure of the single-chain single crystals of isotactic polystyrene (i-PS) was investigated by electron diffraction (ED) and high resolution electron microscopy (HREM). The nano-scale single-chain single crystals were found to be very stable to electron irradiation. According to the unit cell of i-PS crystals, the reflection rings in ED pattern and the lattice fringes in HREM images could be indexed, but the lower-index diffractions were not found. It is proposed that the single-chain single crystals are very small, thus secondary electrons may be allowed to escape and radiation damage is highly reduced, and that there are less lower-index lattice planes in the single-chain single crystals to provide sufficient diffraction intensity for recording. HREM images can be achieved at room temperature in the case of single-chain single crystals because of its stability to electron irradiation, therefore, this might be a novel experimental approach to the study of crystal structure of macromolecules

Quality Assurance on Undoped CsI Crystals for the Mu2e Experiment

Science.gov (United States)

Atanov, N.; Baranov, V.; Budagov, J.; Davydov, Yu. I.; Glagolev, V.; Tereshchenko, V.; Usubov, Z.; Cervelli, F.; Di Falco, S.; Donati, S.; Morescalchi, L.; Pedreschi, E.; Pezzullo, G.; Raffaelli, F.; Spinella, F.; Colao, F.; Cordelli, M.; Corradi, G.; Diociaiuti, E.; Donghia, R.; Giovannella, S.; Happacher, F.; Martini, M.; Miscetti, S.; Ricci, M.; Saputi, A.; Sarra, I.; Echenard, B.; Hitlin, D. G.; Hu, C.; Miyashita, T.; Porter, F.; Zhang, L.; Zhu, R.-Y.; Grancagnolo, F.; Tassielli, G.; Murat, P.

2018-02-01

The Mu2e experiment is constructing a calorimeter consisting of 1,348 undoped CsI crystals in two disks. Each crystal has a dimension of 34 x 34 x 200 mm, and is readout by a large area silicon PMT array. A series of technical specifications was defined according to physics requirements. Preproduction CsI crystals were procured from three firms: Amcrys, Saint-Gobain and Shanghai Institute of Ceramics. We report the quality assurance on crystal's scintillation properties and their radiation hardness against ionization dose and neutrons. With a fast decay time of 30 ns and a light output of more than 100 p.e./MeV measured with a bi-alkali PMT, undoped CsI crystals provide a cost-effective solution for the Mu2e experiment.

Friction of N-bead macromolecules in solution: Effects of the bead-solvent interaction

International Nuclear Information System (INIS)

Uvarov, Alexander; Fritzsche, Stephan

2006-01-01

The role of the bead-solvent interaction has been studied for its influence on the dynamics of an N-bead macromolecule which is immersed into a solution. Using a Fokker-Planck equation for the phase-space distribution function of the macromolecule, we show that all the effects of the solution can be treated entirely in terms of the friction tensors which are assigned to each pair of interacting beads in the chain. For the high-density as well as for the critical solvent, the properties of these tensors are discussed in detail and are calculated by using several (realistic) choices of the bead-solvent potential. From the friction tensors, moreover, an expression for the center-of-mass friction coefficient of a (N-bead) chain macromolecule is derived. Numerical data for this coefficient for 'truncated' Lennard-Jones bead-solvent potential are compared with results from molecular dynamic simulations and from the phenomenological theoretical data as found in the literature

Click chemistry approach to functionalize two-dimensional macromolecules of graphene oxide nanosheets

Institute of Scientific and Technical Information of China (English)

Liang Kou; Hongkun He; Chao Gao

2010-01-01

A facile 'click chemistry' approach to functionalize 2D macromolecules of graphene oxide nanosheets with poly(ethylene glycol) of different molecular weights,polystyrene,palmitic acid and various amino acids was presented.FTIR,TGA,Raman spectroscopy,XPS,XRD,TEM,AFM and SEM were utilized to characterize the products.High degree of functionalization was achieved on the flat surfaces of graphene oxide,affording polymer-grafted 2D brushes and amino acids-immobilized nanosheets,which show improved solubility in organic solvents.The click chemistry strategy reported herein provides a facile and general method for functionalization of graphene oxide with macromolecules and desired biomolecules.

A structural self-regulation of functioning macromolecules

International Nuclear Information System (INIS)

Khristoforov, L.N.

1998-01-01

An approach to describing the functional structural changes of macromolecules processing the flows of low-mass agents is formulated. The latter appear as a source of a discrete noise whose defining parameters depend on structural variables. We derive a forward evolution equation and then, by adiabatic elimination, effective Fokker-Planck's equation for the structural modes. Within the dichotomous case, we discuss noise-induced nonequilibrium phase transitions reflecting the regulatory role of the structural subsystem

Dramatic improvement of crystal quality for low-temperature-grown rabbit muscle aldolase

International Nuclear Information System (INIS)

Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

2010-01-01

Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice

Extracting trends from two decades of microgravity macromolecular crystallization history.

Science.gov (United States)

Judge, Russell A; Snell, Edward H; van der Woerd, Mark J

2005-06-01

Since the 1980s hundreds of macromolecular crystal growth experiments have been performed in the reduced acceleration environment of an orbiting spacecraft. Significant enhancements in structural knowledge have resulted from X-ray diffraction of the crystals grown. Similarly, many samples have shown no improvement or degradation in comparison to those grown on the ground. A complex series of interrelated factors affect these experiments and by building a comprehensive archive of the results it was aimed to identify factors that result in success and those that result in failure. Specifically, it was found that dedicated microgravity missions increase the chance of success when compared with those where crystallization took place as a parasitic aspect of the mission. It was also found that the chance of success could not be predicted based on any discernible property of the macromolecule available to us.

Growth of large size lithium niobate single crystals of high quality by tilting-mirror-type floating zone method

Energy Technology Data Exchange (ETDEWEB)

Sarker, Abdur Razzaque, E-mail: razzaque_ru2000@yahoo.com [Department of Physics, University of Rajshahi (Bangladesh)

2016-05-15

Large size high quality LiNbO{sub 3} single crystals were grown successfully by tilting-mirror-type floating zone (TMFZ) technique. The grown crystals were characterized by X-ray diffraction, etch pits density measurement, Impedance analysis, Vibrating sample magnetometry (VSM) and UV-Visible spectrometry. The effect of mirror tilting during growth on the structural, electrical, optical properties and defect density of the LiNbO{sub 3} crystals were investigated. It was found that the defect density in the crystals reduced for tilting the mirror in the TMFZ method. The chemical analysis revealed that the grown crystals were of high quality with uniform composition. The single crystals grown by TMFZ method contains no low-angle grain boundaries, indicating that they can be used for high efficiency optoelectronic devices. (author)

Dramatic improvement of crystal quality for low-­temperature-grown rabbit muscle aldolase

Science.gov (United States)

Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

2010-01-01

Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination. It was concluded that the improvement of crystal quality as indicated by the higher resolution of the new RMA–LC4 complex crystals was a consequence of the introduction of new lattice contacts at lower temperature. The lattice contacts corresponded to an increased number of interactions between high-entropy side chains that mitigate the lattice strain incurred upon cryocooling and accompanying mosaic spread increases. The thermodynamically unfavorable immobilization of high-entropy side chains used in lattice formation was compensated by an entropic increase in the bulk-solvent content owing to the greater solvent content of the crystal lattice. PMID:20445268

Effects of Purification on the Crystallization of Lysozyme

Science.gov (United States)

Ewing, Felecia L.; Forsythe, Elizabeth L.; Van Der Woerd, Mark; Pusey, Marc L.

1996-01-01

We have additionally purified a commercial lysozyme preparation by cation exchange chromatography, followed by recrystallization. This material is 99.96% pure with respect to macromolecular impurities. At basic pH, the purified lysozyme gave only tetragonal crystals at 20 C. Protein used directly from the bottle, prepared by dialysis against distilled water, or which did not bind to the cation exchange column had considerably altered crystallization behavior. Lysozyme which did not bind to the cation exchange column was subsequently purified by size exclusion chromatography. This material gave predominately bundles of rod-shaped crystals with some small tetragonal crystals at lower pHs. The origin of the bundled rod habit was postulated to be a thermally dependent tetragonal- orthorhombic change in the protein structure. This was subsequently ruled out on the basis of crystallization behavior and growth rate experiments. This suggests that heterogeneous forms of lysozyme may be responsible. These results demonstrate three classes of impurities: (1) small molecules, which may be removed by dialysis; (2) macromolecules, which are removable by chromatographic techniques; and (3) heterogeneous forms of the protein, which can be removed in this case by cation exchange chromatography. Of these, heterogeneous forms of the lysozyme apparently have the greatest affect on its crystallization behavior.

Image processing of small protein-crystals in electron microscopy

International Nuclear Information System (INIS)

Feinberg, D.A.

1978-11-01

This electron microscope study was undertaken to determine whether high resolution reconstructed images could be obtained from statistically noisy micrographs by the super-position of several small areas of images of well-ordered crystals of biological macromolecules. Methods of rotational and translational alignment which use Fourier space data were demonstrated to be superior to methods which use Real space image data. After alignment, the addition of the diffraction patterns of four small areas did not produce higher resolution because of unexpected image distortion effects. A method was developed to determine the location of the distortion origin and the coefficients of spiral distortion and pincushion/barrel distortion in order to make future correction of distortions in electron microscope images of large area crystals

Near-equilibrium chemical vapor deposition of high-quality single-crystal graphene directly on various dielectric substrates.

Science.gov (United States)

Chen, Jianyi; Guo, Yunlong; Jiang, Lili; Xu, Zhiping; Huang, Liping; Xue, Yunzhou; Geng, Dechao; Wu, Bin; Hu, Wenping; Yu, Gui; Liu, Yunqi

2014-03-05

By using near-equilibrium chemical vapor deposition, it is demonstrated that high-quality single-crystal graphene can be grown on dielectric substrates. The maximum size is about 11 μm. The carrier mobility can reach about 5650 cm(2) V(-1) s(-1) , which is comparable to those of some metal-catalyzed graphene crystals, reflecting the good quality of the graphene lattice. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The influence of magnetic fields on protein crystal growth and quality; Zum Einfluss magnetischer Felder auf das Wachstum und die Qualitaet von Proteinkristallen

Energy Technology Data Exchange (ETDEWEB)

Meents, Alke

2005-08-01

Magnetic fields can affect protein crystal growth in several ways. In homogeneous magnetic fields molecules and crystallites line up themselves along the magnetic field direction due to their magnetic anisotropy. Inhomogeneous magnetic fields exert a force on diamagnetic and paramagnetic compounds towards regions of lower or higher field strength. This effect can be used to create a microgravity-like environment for diamagnetic proteins and an environment comparable to hypergravity for paramagnetic proteins. Crystallization in homogeneous magnetic fields and a microgravity-like environment are reported to have a positive effect on crystal quality. The aim of this work was to systematically investigate the effect of protein crystallization in magnetic fields on the crystal quality by comparing a large number of crystals grown under identical conditions with- and without magnetic fields. Crystal quality was determined by means of high resolution rocking-curve measurements. Furthermore in certain cases complete diffraction datasets were collected. Any possible influence of magnetic fields on the mosaicity and the quality of the diffraction data was evaluated statistically by applying Wilcoxon-Ranksum tests. To investigate the effect of protein crystallization in homogeneous magnetic fields the diamagnetic proteins Thaumatin, Trypsin, and Lysozyme and paramagnetic Myoglobin were crystallized in magnetic fields of 5 T, 8.8 T, and 15.8 T. The analysis of crystal mosaicity and quality of the diffraction data of the diamagnetic proteins did not reveal a significant influence on the crystal quality. In contrast the crystals of paramagnetic Myoglobin grew up to 14 times larger than the ones in the control experiment. In addition they had a significant lower mosaicity, and diffracted to a higher resolution than ever reported before. Special pole pieces for an existing magnet were designed and build to grow protein crystals in an inhomogeneous magnetic field The experimental

Interactions between adsorbed macromolecules : measurements on emulsions and liquid films

NARCIS (Netherlands)

Vliet, van T.

1977-01-01

The aim of this study was to gain more insight into the factors, determining the inter- and intramolecular interactions between adsorbed macromolecules. To that end several experimental and theoretical approaches were followed, using well-defined systems. It was shown that these

Basal-body-associated macromolecules: a continuing debate.

Science.gov (United States)

Pierre Mignot, J; Brugerolle, G; Didier, P; Bornens, M

1993-07-01

Controversy over the possibility that centrioles/basal bodies contain nucleic acids has overshadowed results demonstrating other macromolecules in the lumen of these organelles. Glycogen particles, which are known to be present within the lumen of the centriole/basal body of sperm cells, have now been found in basal bodies of protists belonging to three different groups. Here, we extend the debate on a role for RNA in basal body/centriole function and speculate on the origin and the function of centriolar glycogen.

Interactions between macromolecule-bound antioxidants and Trolox during liposome autoxidation

DEFF Research Database (Denmark)

Celik, Ecem Evrim; Amigo Rubio, Jose Manuel; Andersen, Mogens Larsen

2017-01-01

The interactions between free and macromolecule-bound antioxidants were investigated in order to evaluate their combined effects on the antioxidant environment. Dietary fiber (DF), protein and lipid-bound antioxidants, obtained from whole wheat, soybean and olive oil products, respectively and Tr...... of logistic function was successfully used for modelling the oxidation curve of liposomes. Principal component analysis revealed two separate phases of liposome autoxidation.......The interactions between free and macromolecule-bound antioxidants were investigated in order to evaluate their combined effects on the antioxidant environment. Dietary fiber (DF), protein and lipid-bound antioxidants, obtained from whole wheat, soybean and olive oil products, respectively...... of the simple addition effects of Trolox and bound antioxidants with measured values on lipid oxidation revealed synergetic interactions for DF and refined olive oil-bound antioxidants, and antagonistic interactions for protein and extra virgin olive oil-bound antioxidants with Trolox. A generalized version...

Is the macromolecule signal tissue-specific in healthy human brain? A (1)H MRS study at 7 Tesla in the occipital lobe.

Science.gov (United States)

Schaller, Benoît; Xin, Lijing; Gruetter, Rolf

2014-10-01

The macromolecule signal plays a key role in the precision and the accuracy of the metabolite quantification in short-TE (1) H MR spectroscopy. Macromolecules have been reported at 1.5 Tesla (T) to depend on the cerebral studied region and to be age specific. As metabolite concentrations vary locally, information about the profile of the macromolecule signal in different tissues may be of crucial importance. The aim of this study was to investigate, at 7T for healthy subjects, the neurochemical profile differences provided by macromolecule signal measured in two different tissues in the occipital lobe, predominantly composed of white matter tissue or of grey matter tissue. White matter-rich macromolecule signal was relatively lower than the gray matter-rich macromolecule signal from 1.5 to 1.8 ppm and from 2.3 to 2.5 ppm with mean difference over these regions of 7% and 12% (relative to the reference peak at 0.9 ppm), respectively. The neurochemical profiles, when using either of the two macromolecule signals, were similar for 11 reliably quantified metabolites (CRLB occipital lobe at 7T in healthy human brain. Copyright © 2013 Wiley Periodicals, Inc.

Quality control on pre-serial Bridgman production of PbWO{sub 4} scintillating crystals by means of photoelasticity

Energy Technology Data Exchange (ETDEWEB)

Rinaldi, D., E-mail: d.rinaldi@univpm.i [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); INFN section of Perugia (Italy); Ciriaco, A. [Dipartimento di Fisica e Ingegneria dei Materiali e del Territorio, Universita' Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); Lebeau, M. [CERN PH department, 1211 Geneva 23 (Switzerland); Paone, N. [Dipartimento di Meccanica, Universita' Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy)

2010-04-11

Residual internal stresses in PbWO{sub 4} (PWO) scintillating crystals grown by Bridgman method have been systematically studied. Residual stresses induced during growth play an important role in production yield. Cracking probability during mechanical processing as well as stable mechanical properties in finished crystal are closely related to internal stress levels. A regular production of good-quality crystals requires a fast and easy feed-back on growth parameters. Samples from a pre-serial production were analyzed in order to give the producer a quality feed-back for process optimization. By means of photoelasticity, we measured residual stress distribution in several sections along the growth axis and for typical positions in every section. The stress analysis revealed defects occurring during the crystallization process, attributed to dislocations, lattice disorientation and poly-crystallinity. This work had been prompted by the need for quality monitoring of a pre-serial production of PWO for the CMS experiment at CERN's LHC. Mapping stress levels inside the ingot volume and proposing a synthetic parameter to be used as a quality indicator, the resulting analysis should contribute to parameter optimization and improve the growth performance. The proposed method may be useful in conventional crystal production.

Tunable Tensor Voting Improves Grouping of Membrane-Bound Macromolecules

Energy Technology Data Exchange (ETDEWEB)

Loss, Leandro A.; Bebis, George; Parvin, Bahram

2009-04-15

Membrane-bound macromolecules are responsible for structural support and mediation of cell-cell adhesion in tissues. Quantitative analysis of these macromolecules provides morphological indices for damage or loss of tissue, for example as a result of exogenous stimuli. From an optical point of view, a membrane signal may have nonuniform intensity around the cell boundary, be punctate or diffused, and may even be perceptual at certain locations along the boundary. In this paper, a method for the detection and grouping of punctate, diffuse curvilinear signals is proposed. Our work builds upon the tensor voting and the iterative voting frameworks to propose an efficient method to detect and refine perceptually interesting curvilinear structures in images. The novelty of our method lies on the idea of iteratively tuning the tensor voting fields, which allows the concentration of the votes only over areas of interest. We validate the utility of our system with synthetic and annotated real data. The effectiveness of the tunable tensor voting is demonstrated on complex phenotypic signals that are representative of membrane-bound macromolecular structures.

JAIL: a structure-based interface library for macromolecules.

Science.gov (United States)

Günther, Stefan; von Eichborn, Joachim; May, Patrick; Preissner, Robert

2009-01-01

The increasing number of solved macromolecules provides a solid number of 3D interfaces, if all types of molecular contacts are being considered. JAIL annotates three different kinds of macromolecular interfaces, those between interacting protein domains, interfaces of different protein chains and interfaces between proteins and nucleic acids. This results in a total number of about 184,000 database entries. All the interfaces can easily be identified by a detailed search form or by a hierarchical tree that describes the protein domain architectures classified by the SCOP database. Visual inspection of the interfaces is possible via an interactive protein viewer. Furthermore, large scale analyses are supported by an implemented sequential and by a structural clustering. Similar interfaces as well as non-redundant interfaces can be easily picked out. Additionally, the sequential conservation of binding sites was also included in the database and is retrievable via Jmol. A comprehensive download section allows the composition of representative data sets with user defined parameters. The huge data set in combination with various search options allow a comprehensive view on all interfaces between macromolecules included in the Protein Data Bank (PDB). The download of the data sets supports numerous further investigations in macromolecular recognition. JAIL is publicly available at http://bioinformatics.charite.de/jail.

Physiologically-based PK/PD modelling of therapeutic macromolecules.

Science.gov (United States)

Thygesen, Peter; Macheras, Panos; Van Peer, Achiel

2009-12-01

Therapeutic proteins are a diverse class of drugs consisting of naturally occurring or modified proteins, and due to their size and physico-chemical properties, they can pose challenges for the pharmacokinetic and pharmacodynamic studies. Physiologically-based pharmacokinetics (PBPK) modelling has been effective for early in silico prediction of pharmacokinetic properties of new drugs. The aim of the present workshop was to discuss the feasibility of PBPK modelling of macromolecules. The classical PBPK approach was discussed with a presentation of the successful example of PBPK modelling of cyclosporine A. PBPK model was performed with transport of the cyclosporine across cell membranes, affinity to plasma proteins and active membrane transporters included to describe drug transport between physiological compartments. For macromolecules, complex PBPK modelling or permeability-limited and/or target-mediated distribution was discussed. It was generally agreed that PBPK modelling was feasible and desirable. The role of the lymphatic system should be considered when absorption after extravascular administration is modelled. Target-mediated drug disposition was regarded as an important feature for generation of PK models. Complex PK-models may not be necessary when a limited number of organs are affected. More mechanistic PK/PD models will be relevant when adverse events/toxicity are included in the PK/PD modelling.

Equilibrium partitioning of macromolecules in confining geometries: Improved universality with a new molecular size parameter

DEFF Research Database (Denmark)

Wang, Yanwei; Peters, Günther H.J.; Hansen, Flemming Yssing

2008-01-01

structures (CABS), allows the computation of equilibrium partition coefficients as a function of confinement size solely based on a single sampling of the configuration space of a macromolecule in bulk. Superior in computational speed to previous computational methods, CABS is capable of handling slits...... parameter for characterization of spatial confinement effects on macromolecules. Results for the equilibrium partition coefficient in the weak confinement regime depend only on the ratio ofR-s to the confinement size regardless of molecular details....

Synthetic mimetics of the endogenous gastrointestinal nanomineral: Silent constructs that trap macromolecules for intracellular delivery.

Science.gov (United States)

Pele, Laetitia C; Haas, Carolin T; Hewitt, Rachel E; Robertson, Jack; Skepper, Jeremy; Brown, Andy; Hernandez-Garrido, Juan Carlos; Midgley, Paul A; Faria, Nuno; Chappell, Helen; Powell, Jonathan J

2017-02-01

Amorphous magnesium-substituted calcium phosphate (AMCP) nanoparticles (75-150nm) form constitutively in large numbers in the mammalian gut. Collective evidence indicates that they trap and deliver luminal macromolecules to mucosal antigen presenting cells (APCs) and facilitate gut immune homeostasis. Here, we report on a synthetic mimetic of the endogenous AMCP and show that it has marked capacity to trap macromolecules during formation. Macromolecular capture into AMCP involved incorporation as shown by STEM tomography of the synthetic AMCP particle with 5nm ultra-fine iron (III) oxohydroxide. In vitro, organic cargo-loaded synthetic AMCP was taken up by APCs and tracked to lysosomal compartments. The AMCP itself did not regulate any gene, or modify any gene regulation by its cargo, based upon whole genome transcriptomic analyses. We conclude that synthetic AMCP can efficiently trap macromolecules and deliver them to APCs in a silent fashion, and may thus represent a new platform for antigen delivery. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

Isolation of cell nuclei using inert macromolecules to mimic the crowded cytoplasm.

Directory of Open Access Journals (Sweden)

Ronald Hancock

Full Text Available Cell nuclei are commonly isolated and studied in media which include millimolar concentrations of cations, which conserve the nuclear volume by screening the negative charges on chromatin and maintaining its compaction. However, two factors question if these ionic conditions correctly reproduce the environment of nuclei in vivo: the small-scale motion and conformation of chromatin in vivo are not reproduced in isolated nuclei, and experiments and theory suggest that small ions in the cytoplasm are not free in the soluble phase but are predominantly bound to macromolecules. We studied the possible role in maintaining the structure and functions of nuclei in vivo of a further but frequently overlooked property of the cytoplasm, the crowding or osmotic effects caused by diffusible macromolecules whose concentration, measured in several studies, is in the range of 130 mg/ml. Nuclei which conserved their volume in the cell and their ultrastructure seen by electron microscopy were released from K562 cells in media containing the inert polymer 70 kDa Ficoll (50% w/v or 70 kDa dextran (35% w/v to replace the diffusible cytoplasmic molecules which were dispersed on cell lysis with digitonin, with 100 microM K-Hepes buffer as the only source of ions. Immunofluorescence labelling and experiments using cells expressing GFP-fusion proteins showed that internal compartments (nucleoli, PML and coiled bodies, foci of RNA polymerase II were conserved in these nuclei, and nascent RNA transcripts could be elongated. Our observations are consistent with the hypothesis that crowding by diffusible cytoplasmic macromolecules is a crucial but overlooked factor which supports the nucleus in vivo by equilibrating the opposing osmotic pressure cause by the high concentration of macromolecules in the nucleus, and suggest that crowded media provide more physiological conditions to study nuclear structure and functions. They may also help to resolve the long-standing paradox

Multi-crystal native SAD analysis at 6 keV.

Science.gov (United States)

Liu, Qun; Guo, Youzhong; Chang, Yanqi; Cai, Zheng; Assur, Zahra; Mancia, Filippo; Greene, Mark I; Hendrickson, Wayne A

2014-10-01

Anomalous diffraction signals from typical native macromolecules are very weak, frustrating their use in de novo structure determination. Here, native SAD procedures are described to enhance signal to noise in anomalous diffraction by using multiple crystals in combination with synchrotron X-rays at 6 keV. Increased anomalous signals were obtained at 6 keV compared with 7 keV X-ray energy, which was used for previous native SAD analyses. A feasibility test of multi-crystal-based native SAD phasing was performed at 3.2 Å resolution for a known tyrosine protein kinase domain, and real-life applications were made to two novel membrane proteins at about 3.0 Å resolution. The three applications collectively serve to validate the robust feasibility of native SAD phasing at lower energy.

Monolayer-crystal streptavidin support films provide an internal standard of cryo-EM image quality

Energy Technology Data Exchange (ETDEWEB)

Han, Bong-Gyoon [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Watson, Zoe [Univ. of California, Berkeley, CA (United States); Cate, Jamie H. D. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Glaeser, Robert M. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

2017-03-01

Analysis of images of biotinylated Escherichia coli 70S ribosome particles, bound to streptavidin affinity grids, demonstrates that the image-quality of particles can be predicted by the image-quality of the monolayer crystalline support film. Also, the quality of the Thon rings is a good predictor of the image-quality of particles, but only when images of the streptavidin crystals extend to relatively high resolution. When the estimated resolution of streptavidin was 5 Å or worse, for example, the ribosomal density map obtained from 22,697 particles went to only 9.5 Å, while the resolution of the map reached 4.0 Å for the same number of particles, when the estimated resolution of streptavidin crystal was 4 Å or better. It thus is easy to tell which images in a data set ought to be retained for further work, based on the highest resolution seen for Bragg peaks in the computed Fourier transforms of the streptavidin component. The refined density map obtained from 57,826 particles obtained in this way extended to 3.6 Å, a marked improvement over the value of 3.9 Å obtained previously from a subset of 52,433 particles obtained from the same initial data set of 101,213 particles after 3-D classification. These results are consistent with the hypothesis that interaction with the air-water interface can damage particles when the sample becomes too thin. Finally, streptavidin monolayer crystals appear to provide a good indication of when that is the case.

Reduced adipose tissue lymphatic drainage of macromolecules in obese subjects

DEFF Research Database (Denmark)

Arngrim, Nanna Bjørkbom; Simonsen, L; Holst, J J

2013-01-01

The aim of this study was to investigate subcutaneous adipose tissue lymphatic drainage (ATLD) of macromolecules in lean and obese subjects and, furthermore, to evaluate whether ATLD may change in parallel with adipose tissue blood flow. Lean and obese male subjects were studied before and after ...... online publication, 3 July 2012; doi:10.1038/ijo.2012.98....

Modeling the Color Image and Video Quality on Liquid Crystal Displays with Backlight Dimming

DEFF Research Database (Denmark)

Korhonen, Jari; Mantel, Claire; Burini, Nino

2013-01-01

Objective image and video quality metrics focus mostly on the digital representation of the signal. However, the display characteristics are also essential for the overall Quality of Experience (QoE). In this paper, we use a model of a backlight dimming system for Liquid Crystal Display (LCD......) and show how the modeled image can be used as an input to quality assessment algorithms. For quality assessment, we propose an image quality metric, based on Peak Signal-to-Noise Ratio (PSNR) computation in the CIE L*a*b* color space. The metric takes luminance reduction, color distortion and loss...

Application of Symmetry Adapted Function Method for Three-Dimensional Reconstruction of Octahedral Biological Macromolecules

Directory of Open Access Journals (Sweden)

Songjun Zeng

2010-01-01

Full Text Available A method for three-dimensional (3D reconstruction of macromolecule assembles, that is, octahedral symmetrical adapted functions (OSAFs method, was introduced in this paper and a series of formulations for reconstruction by OSAF method were derived. To verify the feasibility and advantages of the method, two octahedral symmetrical macromolecules, that is, heat shock protein Degp24 and the Red-cell L Ferritin, were utilized as examples to implement reconstruction by the OSAF method. The schedule for simulation was designed as follows: 2000 random orientated projections of single particles with predefined Euler angles and centers of origins were generated, then different levels of noises that is signal-to-noise ratio (S/N =0.1,0.5, and 0.8 were added. The structures reconstructed by the OSAF method were in good agreement with the standard models and the relative errors of the structures reconstructed by the OSAF method to standard structures were very little even for high level noise. The facts mentioned above account for that the OSAF method is feasible and efficient approach to reconstruct structures of macromolecules and have ability to suppress the influence of noise.

Comparison of the quality of single-crystal diamonds grown on two types of seed substrates by MPCVD

Science.gov (United States)

Zhao, Yun; Guo, Yanzhao; Lin, Liangzhen; Zheng, Yuting; Hei, Lifu; Liu, Jinlong; Wei, Junjun; Chen, Liangxian; Li, Chengming

2018-06-01

Microwave plasma chemical vapor deposition (MPCVD) was used to grow single-crystal diamonds on two types of single-crystal diamond seed substrates prepared by high-pressure, high-temperature (HPHT) and chemical vapor deposition (CVD) methods. The quality of diamonds grown on the different seed substrates was compared. Fluorescence characteristics showed that the sectors of the HPHT seed substrates were obviously partitioned. Raman and absorption spectra showed that the CVD seed substrate produced higher-quality crystals with fewer nitrogen impurities. X-ray topography showed that the HPHT seed substrate had obvious growth sector boundaries, inclusions, dislocations, and stacking faults. The polarization characteristics of HPHT seed substrate were obvious, and the stress distribution was not uniform. When etching HPHT and CVD seed substrates using the same parameters, the etching morphology and extent of different growth sectors of the two substrates differed. Although extended defects were inevitably formed at the interface and propagated in the CVD layer, the dislocation density of a 1 mm-thick CVD layer grown on a CVD seed substrate was only half that of a 1 mm-thick CVD layer grown on an HPHT seed substrate. Therefore, the use of CVD seed substrate enabled the growth of a relatively higher-quality CVD single-crystal diamond.

Spatial and temporal variations in bacterial macromolecule labeling with [methyl-3H]thymidine in a hypertrophic lake

International Nuclear Information System (INIS)

Robarts, R.D.; Wicks, R.J.; Sephton, L.M.

1986-01-01

The incorporation of [methyl- 3 H]thymidine into three macromolecular fractions, designated as DNA, RNA, and protein, by bacteria from Hartbeespoort Dam, South Africa, was measured over 1 year by acid-base hydrolysis procedures. Samples were collected at 10 m, which was at least 5 m beneath the euphotic zone. On four occasions, samples were concurrently collected at the surface. Approximately 80% of the label was incorporated into bacterial DNA in surface samples. At 10 m, total incorporation of label into bacterial macromolecules was correlated to bacterial utilization of glucose. The labeling of DNA, which ranged between 0 and 78% of total macromolecule incorporation, was inversely related to glucose uptake, total thymidine incorporation, and euphotic zone algal production. With decreased DNA labeling, increasing proportions of label were found in the RNA fraction and proteins. Enzymatic digestion followed by chromatographic separation of macromolecule fragments indicated that DNA and proteins were labeled while RNA was not. The RNA fraction may represent labeled lipids or other macromolecules or both. The data demonstrated a close coupling between phytoplankton production and heterotrophic bacterial activity in this hypertrophic lake but also confirmed the need for the routine extraction and purification of DNA during [methyl- 3 H]thymidine studies of aquatic bacterial production

Fabrication of high-quality single-crystal Cu thin films using radio-frequency sputtering.

Science.gov (United States)

Lee, Seunghun; Kim, Ji Young; Lee, Tae-Woo; Kim, Won-Kyung; Kim, Bum-Su; Park, Ji Hun; Bae, Jong-Seong; Cho, Yong Chan; Kim, Jungdae; Oh, Min-Wook; Hwang, Cheol Seong; Jeong, Se-Young

2014-08-29

Copper (Cu) thin films have been widely used as electrodes and interconnection wires in integrated electronic circuits, and more recently as substrates for the synthesis of graphene. However, the ultra-high vacuum processes required for high-quality Cu film fabrication, such as molecular beam epitaxy (MBE), restricts mass production with low cost. In this work, we demonstrated high-quality Cu thin films using a single-crystal Cu target and radio-frequency (RF) sputtering technique; the resulting film quality was comparable to that produced using MBE, even under unfavorable conditions for pure Cu film growth. The Cu thin film was epitaxially grown on an Al2O3 (sapphire) (0001) substrate, and had high crystalline orientation along the (111) direction. Despite the 10(-3) Pa vacuum conditions, the resulting thin film was oxygen free due to the high chemical stability of the sputtered specimen from a single-crystal target; moreover, the deposited film had >5× higher adhesion force than that produced using a polycrystalline target. This fabrication method enabled Cu films to be obtained using a simple, manufacturing-friendly process on a large-area substrate, making our findings relevant for industrial applications.

Macromolecular competition titration method accessing thermodynamics of the unmodified macromolecule-ligand interactions through spectroscopic titrations of fluorescent analogs.

Science.gov (United States)

Bujalowski, Wlodzimierz; Jezewska, Maria J

2011-01-01

Analysis of thermodynamically rigorous binding isotherms provides fundamental information about the energetics of the ligand-macromolecule interactions and often an invaluable insight about the structure of the formed complexes. The Macromolecular Competition Titration (MCT) method enables one to quantitatively obtain interaction parameters of protein-nucleic acid interactions, which may not be available by other methods, particularly for the unmodified long polymer lattices and specific nucleic acid substrates, if the binding is not accompanied by adequate spectroscopic signal changes. The method can be applied using different fluorescent nucleic acids or fluorophores, although the etheno-derivatives of nucleic acid are especially suitable as they are relatively easy to prepare, have significant blue fluorescence, their excitation band lies far from the protein absorption spectrum, and the modification eliminates the possibility of base pairing with other nucleic acids. The MCT method is not limited to the specific size of the reference nucleic acid. Particularly, a simple analysis of the competition titration experiments is described in which the fluorescent, short fragment of nucleic acid, spanning the exact site-size of the protein-nucleic acid complex, and binding with only a 1:1 stoichiometry to the protein, is used as a reference macromolecule. Although the MCT method is predominantly discussed as applied to studying protein-nucleic acid interactions, it can generally be applied to any ligand-macromolecule system by monitoring the association reaction using the spectroscopic signal originating from the reference macromolecule in the presence of the competing macromolecule, whose interaction parameters with the ligand are to be determined. Copyright © 2011 Elsevier Inc. All rights reserved.

Medial frontal GABA is lower in older schizophrenia: a MEGA-PRESS with macromolecule suppression study.

Science.gov (United States)

Rowland, L M; Krause, B W; Wijtenburg, S A; McMahon, R P; Chiappelli, J; Nugent, K L; Nisonger, S J; Korenic, S A; Kochunov, P; Hong, L E

2016-02-01

Gamma-butyric acid (GABA) dysfunction has been implicated in the pathophysiology of schizophrenia and its cognitive deficits. Proton magnetic resonance spectroscopy (MRS) was used to test the hypothesis that older participants with schizophrenia have lower anterior cingulate GABA levels compared with older control participants. One-hundred forty-five participants completed this study. For detection of GABA, spectra were acquired from the medial frontal/anterior cingulate cortex using a macromolecule-suppressed MEGA-PRESS sequence. Patients were evaluated for psychopathology and all participants completed neuropsychological tests of working memory, processing speed and functional capacity. GABA levels were significantly lower in the older participants with schizophrenia (n=31) compared with the older control (n=37) group (P=0.003) but not between the younger control (n=40) and schizophrenia (n=29) groups (P=0.994). Age strongly predicted GABA levels in the schizophrenia group accounting for 42% of the variance, but the effect of age was less in the control group accounting for 5.7% of the variance. GABA levels were specifically related to working memory but not processing speed performance, functional capacity, or positive or negative symptom severity. This is the largest MRS study of GABA in schizophrenia and the first to examine GABA without macromolecule contamination, a potentially significant issue in previous studies. GABA levels more rapidly declined with advancing age in the schizophrenia compared with the control group. Interventions targeted at halting the decline or increasing GABA levels may improve functional outcomes and quality of life as patients with schizophrenia age.

Novel tendencies in developing small-angle neutron scattering methods for studying the structure of biological macromolecules

International Nuclear Information System (INIS)

Serdyuk, I.

1995-01-01

In recent 20 years thermal neutron scattering has been acknowledged an important instrument for structural studies in molecular biology. The methods of neutron diffraction of high resolution, which are not discussed in this paper, have already permitted to obtain a detailed representation of the course of proteolytic reactions and have arisen a number of new problems connected with the localization of water molecules and the H-D exchange. The methods of low resolution widely used due to a relative simplicity of the experiment have been successfully applied for both solving structural problems per se and investigating the changes in the structure when macromolecules perform their biological functions. The most promising are novel experimental approaches: the triple isotopic substitution method and the method of spin dynamic polarization. These methods ensure solving structural problems at a higher resolution than the dimensions of the macromolecules studied. Installation of new experimental instruments makes neutron measurements more accessible, and development of direct methods for interpretation of experimental data using the apparatus of spherical harmonics opens new possibilities for small-angle neutron scattering making it a necessary element for interpretation of diffraction data of monocrystals of intricate biological macromolecules. The paper presents a brief account of the tendencies in theoretical development and practical use of small-angle scattering for studying biological macromolecules. Special attention is given to the studies carried out in the Laboratory of Neutron Physics on a unique pulse IBR-2 reactor. (author) 14 refs

Formation and characterization of calcium orthophosphates in the presence of two different acidic macromolecules

Science.gov (United States)

Pelin, Irina M.; Maier, Vasilica; Suflet, Dana M.; Popescu, Irina; Darie-Nita, Raluca N.; Aflori, Magdalena; Butnaru, Maria

2017-10-01

The synthetic nanocrystalline calcium orthophosphates have a notable bioactivity due to the chemical similarity with biological apatite from calcified tissues. In mineralized tissues, the highly ordered structures come from organized assemblies of biomacromolecules and inorganic nanoparticles. One of the purposes of this work was to study the effect of two types of acidic macromolecules: atelocollagen and phosphorylated curdlan onto calcium orthophosphates formation after 30 days of maturation at 2 ± 2 °C. The resulted samples after a long aging time, either calcium orthophosphates or composites, were first investigated by FT-IR spectroscopy and X-ray diffractometry and the results indicated that precipitated hydroxyapatite with low crystallinity was obtained when the synthesis was performed in the presence of phosphorylated curdlan. The macromolecules influenced the morphology of the particles as shown by scanning and transmission electron microscopy. The presence of macromolecules as demonstrated by thermal investigation also influenced the rheological properties of the samples. The second purpose of the work was to evaluate the cytotoxicity of the samples using the MTT assay, and the results revealed very good cells viability. The preliminary results are encouraging regarding the use of these materials for further tests in order to develop injectable bone substitutes.

3D DNA Origami Crystals.

Science.gov (United States)

Zhang, Tao; Hartl, Caroline; Frank, Kilian; Heuer-Jungemann, Amelie; Fischer, Stefan; Nickels, Philipp C; Nickel, Bert; Liedl, Tim

2018-05-18

3D crystals assembled entirely from DNA provide a route to design materials on a molecular level and to arrange guest particles in predefined lattices. This requires design schemes that provide high rigidity and sufficiently large open guest space. A DNA-origami-based "tensegrity triangle" structure that assembles into a 3D rhombohedral crystalline lattice with an open structure in which 90% of the volume is empty space is presented here. Site-specific placement of gold nanoparticles within the lattice demonstrates that these crystals are spacious enough to efficiently host 20 nm particles in a cavity size of 1.83 × 10 5 nm 3 , which would also suffice to accommodate ribosome-sized macromolecules. The accurate assembly of the DNA origami lattice itself, as well as the precise incorporation of gold particles, is validated by electron microscopy and small-angle X-ray scattering experiments. The results show that it is possible to create DNA building blocks that assemble into lattices with customized geometry. Site-specific hosting of nano objects in the optically transparent DNA lattice sets the stage for metamaterial and structural biology applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Identification of a macromolecular crystal growth inhibitor in human urine as osteopontin

DEFF Research Database (Denmark)

Sørensen, Steen; Justesen, S J; Johnsen, A H

1995-01-01

, an unidentified protein rich in uronic acid, and uropontin have all been described as possessing such activity. We have recently isolated an unknown inhibitor of calcium oxalate crystal growth that co-eluted with trypsin inhibitor in several separation steps, which suggested its identity. The aim of the present......Macromolecules occurring in human urine inhibit the growth and/or aggregation of calcium oxalate crystals and may prevent the formation of kidney stones. Attention has focused particularly on proteins, as these seem to be most responsible for the inhibitory activity; three proteins, nephrocalcin...... study was to outline a simple procedure for isolating and identifying this inhibitor. Purification was done as follows: precipitation of the major proteins (albumin and uromucoid) with trichloroacetic acid, followed by anion exchange chromatography, hydroxyapatite chromatography, anion exchange...

Free diffusion of translation of macromolecules in solution with the rayleigh interferometer; Diffusion libre de translation des macromolecules en solution, par interferometrie de rayleigh

Energy Technology Data Exchange (ETDEWEB)

Leger, J J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1969-07-01

The aim of this study is to develop a rapid and accurate measurement, with the Rayleigh interferometer, of the free diffusion coefficient of translation of macromolecules in solution. After having explained the choice of a diffusion cell with laminar lateral flow, and explained the principle of the Rayleigh interferometer, a semi-automatic technique of free diffusion are then introduced. Solutions are proposed for systems composed of two or three components, such as biopolymers. The paper ends by drafting the possible treatment of recorded experimental data by means of electronic computer. (author) [French] Cette etude a ete entreprise pour mettre au point une methode precise et rapide de mesure, par interferometre de Rayleigh, du coefficient de diffusion libre de translation des macromolecules en solution. Apres avoir justifie le choix d'une cellule de diffusion a ecoulement laminaire lateral et explique le principe de l'interferometre de Rayleigh, l'auteur decrit une technique semi-automatique d'enregistrement des cliches d'interference. Il introduit ensuite les equations differentielles de diffusion libre et propose des solutions pour les systemes a deux et trois composants applicables aux biopolymeres. L'article se termine par une esquisse concernant le traitement des donnees experimentales enregistrees au moyen du calcul electronique. (auteur)

Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes

Energy Technology Data Exchange (ETDEWEB)

Roll, Mark F; Kampf, Jeffrey W.; Laine, Richard M

2011-05-10

We report here the Diels–Alder reaction of octa(diphenylacetylene)silsesquioxane [DPA₈OS] with tetraphenylcyclopentadienone or tetra(p-tolyl)cyclopentadienone to form octa(hexaphenylbenzene)octasilsesquioxane, (Ph₆C₆)₈OS, or octa(tetratolyldiphenylbenzene)octasilsesquioxane, (p-Tolyl₄Ph₂C₆)₈OS. Likewise, tetra(p-tolyl)cyclopentadienone reacts with octa(p-tolylethynylphenyl)OS to form octa(pentatolylphenylbenzene)octasilsesquioxane (p-Tolyl₅PhC₆)₈OS. These compounds, with molecular weights of 4685–5245 Da, were isolated and characterized using a variety of analytical methods. The crystal structure of DPA₈OS offers a 3 nm³ unit cell with Z = 1. The crystal structure of (Ph₆C₆)₈OS was determined to have a triclinic unit cell of 11 nm³ with Z = 1. The latter structure is believed to be the largest discrete molecular structure reported with 330 carbons. Efforts to dehydrogenatively cyclize (Scholl reaction) the hexaarylbenzene groups to form 3-D octgraphene compounds are described.

Optical microcavities based on surface modes in two-dimensional photonic crystals and silicon-on-insulator photonic crystals

DEFF Research Database (Denmark)

Xiao, Sanshui; Qiu, M.

2007-01-01

Surface-mode optical microcavities based on two-dimensional photonic crystals and silicon-on-insulator photonic crystals are studied. We demonstrate that a high-quality-factor microcavity can be easily realized in these structures. With an increasing of the cavity length, the quality factor is gr...... is gradually enhanced and the resonant frequency converges to that of the corresponding surface mode in the photonic crystals. These structures have potential applications such as sensing.......Surface-mode optical microcavities based on two-dimensional photonic crystals and silicon-on-insulator photonic crystals are studied. We demonstrate that a high-quality-factor microcavity can be easily realized in these structures. With an increasing of the cavity length, the quality factor...

Technical and radiological image quality comparison of different liquid crystal displays for radiology

Directory of Open Access Journals (Sweden)

Dams FE

2014-10-01

Full Text Available Francina EM Dams,2 KY Esther Leung,1 Pieter HM van der Valk,2 Marc CJM Kock,2 Jeroen Bosman,1 Sjoerd P Niehof1 1Medical Physics and Technology, 2Department of Radiology, Albert Schweitzer Hospital, Dordrecht, The Netherlands Background: To inform cost-effective decisions in purchasing new medical liquid crystal displays, we compared the image quality in displays made by three manufacturers. Methods: We recruited 19 radiologists and residents to compare the image quality of four liquid crystal displays, including 3-megapixel Barco®, Eizo®, and NEC® displays and a 6-megapixel Barco display. The evaluators were blinded to the manufacturers' names. Technical assessments were based on acceptance criteria and test patterns proposed by the American Association of Physicists in Medicine. Radiological assessments were performed on images from the American Association of Physicists in Medicine Task Group 18. They included X-ray images of the thorax, knee, and breast, a computed tomographic image of the thorax, and a magnetic resonance image of the brain. Image quality was scored on an analog scale (range 0–10. Statistical analysis was performed with repeated-measures analysis of variance. Results: The Barco 3-megapixel display passed all acceptance criteria. The Eizo and NEC displays passed the acceptance criteria, except for the darkest pixel value in the grayscale display function. The Barco 6-megapixel display failed criteria for the maximum luminance response and the veiling glare. Mean radiological assessment scores were 7.8±1.1 (Barco 3-megapixel, 7.8±1.2 (Eizo, 8.1±1.0 (NEC, and 8.1±1.0 (Barco 6-megapixel. No significant differences were found between displays. Conclusion: According to the tested criteria, all the displays had comparable image quality; however, there was a three-fold difference in price between the most and least expensive displays. Keywords: data display, humans, radiographic image enhancement, user-computer interface

Crystallization Process of Protein Rv0731c from Mycobacterium Tuberculosis for a Successful Atomic Resolution Crystal Structure at 1.2 Angstrom

Energy Technology Data Exchange (ETDEWEB)

Zhu, Liang Cong

2009-06-08

Proteins are bio-macromolecules consisting of basic 20 amino acids and have distinct three-dimensional folds. They are essential parts of organisms and participate in every process within cells. Proteins are crucial for human life, and each protein within the body has a specific function, such as antibodies, contractile proteins, enzymes, hormonal proteins, structural proteins, storage proteins and transport proteins. Determining three-dimensional structure of a protein can help researchers discover the remarkable protein folding, binding site, conformation and etc, in order to understand well of protein interaction and aid for possible drug design. The research on protein structure by X-ray protein crystallography carried by Li-Wei Hung's research group in the Physical Bioscience Division at Lawrence Berkeley National Laboratory (LBNL) is focusing on protein crystallography. The research in this lab is in the process of from crystallizing the proteins to determining the three dimensional crystal structures of proteins. Most protein targets are selected from Mycobacterium Tuberculosis. TB (Tuberculosis) is a possible fatal infectious disease. By studying TB target protein can help discover antituberculer drugs, and find treatment for TB. The high-throughput mode of crystallization, crystal harvesting, crystal screening and data collection are applied to the research pipeline (Figure 1). The X-ray diffraction data by protein crystals can be processed and analyzed to result in a three dimensional representation of electron density, producing a detailed model of protein structure. Rv0731c is a conserved hypothetical protein with unknown function from Mycobacterium Tuberculosis. This paper is going to report the crystallization process and brief structure information of Rv0731c.

A Study of Biomolecules as Growth Modifiers of Calcium Oxalate Crystals

Science.gov (United States)

Kwak, Junha John

Crystallization processes are ubiquitous in nature, science, and technology. Controlling crystal growth is pivotal in many industries as material properties and functions can be tailored by tuning crystal habits (e.g. size, shape, phase). In biomineralization, organisms exert excellent control over bottom-up synthesis and assembly of inorganic-organic structures (e.g. bones, teeth, exoskeletons). This is made possible by growth modifiers that range from small molecules to macromolecules, such as proteins. Molecular recognition of the mineral phase allows proteins to function as nucleation templates, matrices, and growth inhibitors or promoters. We are interested in taking a biomimetic approach to control crystallization via biomolecular growth modifiers. We investigated calcium oxalate monohydrate (COM), found in plants and kidney stones, as a model system of crystallization. We studied the effects of four common proteins on COM crystallization: bovine serum albumin (BSA), transferrin, lactoferrin, and lysozyme. Through kinetic studies of COM crystallization, we classified BSA and lysozyme as COM growth inhibitor and promoter respectively. Their inhibition and promotion effects were also evident in the macroscopic crystal habit. Through adsorption and microscopy experiments, we showed that BSA exhibits binding specificity for the apical surfaces of macroscopic COM crystals. Lysozyme, on the other, functions via a non-binding mechanism at the surface to accelerate the growth of the apical surfaces. We also synthesized and studied peptides derived from the protein primary sequences to identify putative domains responsible for these inhibition and promotion effects. Collectively, our study of physiologically relevant biomolecules suggests potential roles of COM modifiers in pathological crystallization and helps to develop guidelines for rational design of biomolecular growth modifiers for applications in crystal engineering.

Introduction of a leucine half-zipper engenders multiple high-quality crystals of a recalcitrant tRNA synthetase

International Nuclear Information System (INIS)

Guo, Min; Shapiro, Ryan; Schimmel, Paul; Yang, Xiang-Lei

2010-01-01

E. coli alanyl-tRNA synthetase is recalcitrant to crystallization. A group of leucine substitutions has transformed the protein. Although Escherichia coli alanyl-tRNA synthetase was among the first tRNA synthetases to be sequenced and extensively studied by functional analysis, it has proved to be recalcitrant to crystallization. This challenge remained even for crystallization of the catalytic fragment. By mutationally introducing three stacked leucines onto the solvent-exposed side of an α-helix, an engineered catalytic fragment of the synthetase was obtained that yielded multiple high-quality crystals and cocrystals with different ligands. The engineered α-helix did not form a leucine zipper that interlocked with the same α-helix from another molecule. Instead, using the created hydrophobic spine, it interacted with other surfaces of the protein as a leucine half-zipper (LHZ) to enhance the crystal lattice interactions. The LHZ made crystal lattice contacts in all crystals of different space groups. These results illustrate the power of introducing an LHZ into helices to facilitate crystallization. The authors propose that the method can be unified with surface-entropy reduction and can be broadly used for protein-surface optimization in crystallization

Macromolecule simulation and CH4 adsorption mechanism of coal vitrinite

Science.gov (United States)

Yu, Song; Yan-ming, Zhu; Wu, Li

2017-02-01

The microscopic mechanism of interactions between CH4 and coal macromolecules is of significant practical and theoretical importance in CBM development and methane storage. Under periodic boundary conditions, the optimal energy configuration of coal vitrinite, which has a higher torsion degree and tighter arrangement, can be determined by the calculation of molecular mechanics (MM) and molecular dynamics (MD), and annealing kinetics simulation based on ultimate analysis, 13C NMR, FT IR and HRTEM. Macromolecular stabilization is primarily due to the van der Waals energy and covalent bond energy, mainly consisting of bond torsion energy and bond angle energy. Using the optimal configuration as the adsorbent, GCMC simulation of vitrinite adsorption of CH4 is conducted. A saturated state is reached after absorbing 17 CH4s per coal vitrinite molecule. CH4 is preferentially adsorbed on the edge, and inclined to gathering around the branched chains of the inner vitrinite sites. Finally, the adsorption parameters are calculated through first principle DFT. The adsorbability order is as follows: aromatic structure> heteroatom rings > oxygen functional groups. The adsorption energy order is as follows: Top graphene. However, the energy of the most preferential location is much lower than that of graphite/graphene. CH4 is more easily absorbed on the surface of vitrinite. Adsorbability varies considerably at different adsorption locations and sites on the surface of vitrinite. Crystal parameter of vitrinite is a = b = c = 15.8 Å and majority of its micropores are blow 15.8 Å, indicating that the vitrinite have the optimum adsorption aperture. It can explain its higher observed adsorption capacities for CH4 compared with graphite/graphene.

Enhanced magnetoresistance in the binary semimetal NbAs2 due to improved crystal quality

Science.gov (United States)

Yokoi, K.; Murakawa, H.; Komada, M.; Kida, T.; Hagiwara, M.; Sakai, H.; Hanasaki, N.

2018-02-01

We have observed an extremely large magnetoresistance exceeding 1.9 million at 1.7 K at 40 T for a single crystal of the binary semimetal NbAs2. The magnetoresistive behavior for this compound is quantitatively reproduced by a semiclassical two-carrier model in which the significant enhancement of magnetoresistance is attributed to the almost full compensation of the hole and electron densities (0.994 6 ×105cm2 /V .s ). Our results indicate that binary semimetals with higher carrier densities have a great potential for exhibiting a further divergent increase in magnetoresistance merely through an improvement in crystal quality.

Multifunctional gadolinium-based dendritic macromolecules as liver targeting imaging probes.

Science.gov (United States)

Luo, Kui; Liu, Gang; He, Bin; Wu, Yao; Gong, Qingyong; Song, Bin; Ai, Hua; Gu, Zhongwei

2011-04-01

The quest for highly efficient and safe contrast agents has become the key factor for successful application of magnetic resonance imaging (MRI). The gadolinium (Gd) based dendritic macromolecules, with precise and tunable nanoscopic sizes, are excellent candidates as multivalent MRI probes. In this paper, a novel series of Gd-based multifunctional peptide dendritic probes (generation 2, 3, and 4) possessing highly controlled structures and single molecular weight were designed and prepared as liver MRI probes. These macromolecular Gd-ligand agents exhibited up to 3-fold increase in T(1) relaxivity comparing to Gd-DTPA complexes. No obvious in vitro cytotoxicity was observed from the measured concentrations. These dendritic probes were further functionalized with multiple galactosyl moieties and led to much higher cell uptake in vitro as demonstrated in T(1)-weighted scans. During in vivo animal studies, the probes provided better signal intensity (SI) enhancement in mouse liver, especially at 60 min post-injection, with the most efficient enhancement from the galactosyl moiety decorated third generation dendrimer. The imaging results were verified with analysis of Gd content in liver tissues. The design strategy of multifunctional Gd-ligand peptide dendritic macromolecules in this study may be used for developing other sensitive MRI probes with targeting capability. Copyright © 2011 Elsevier Ltd. All rights reserved.

The use of anomalous scattering of uranium for the determination of biological macromolecules structures - From hard to soft X-rays

International Nuclear Information System (INIS)

Chesne-Seck, M.L.

2002-01-01

In order to solve biological macromolecules structures, structure factor phases must be derived from the intensities diffracted by the crystal. The SAD and the MAD methods make use of variations in scattering factors measured at specific absorption edges of heavy atoms, bound to the protein. The phasing power depends on the occupancy of the binding sites and on the variations of the scattering factors at the absorption edge that is used. With uranyl, numerous sites with low occupancies are usually obtained. We used new colored uranyl complexes, which give higher occupancies, to solve de novo the lysozyme structure and an unknown structure. We have developed the use of the My absorption edge of uranium (λ = 3,5 Angstroms), where a variation of 120 electrons is observed in the scattering factors. With a helium atmosphere to limit the X-rays absorption, we have collected three data sets, on a single image. Data were processed both with 'classical' and specific programs. (author) [fr

Implications of molecular heterogeneity for the cooperativity of biological macromolecules.

Science.gov (United States)

Solomatin, Sergey V; Greenfeld, Max; Herschlag, Daniel

2011-06-01

Cooperativity, a universal property of biological macromolecules, is typically characterized by a Hill slope, which can provide fundamental information about binding sites and interactions. We demonstrate, through simulations and single-molecule FRET (smFRET) experiments, that molecular heterogeneity lowers bulk cooperativity from the intrinsic value for the individual molecules. As heterogeneity is common in smFRET experiments, appreciation of its influence on fundamental measures of cooperativity is critical for deriving accurate molecular models.

Marine-derived biological macromolecule-based biomaterials for wound healing and skin tissue regeneration.

Science.gov (United States)

Chandika, Pathum; Ko, Seok-Chun; Jung, Won-Kyo

2015-01-01

Wound healing is a complex biological process that depends on the wound condition, the patient's health, and the physicochemical support given through external materials. The development of bioactive molecules and engineered tissue substitutes to provide physiochemical support to enhance the wound healing process plays a key role in advancing wound-care management. Thus, identification of ideal molecules in wound treatment is still in progress. The discovery of natural products that contain ideal molecules for skin tissue regeneration has been greatly advanced by exploration of the marine bioenvironment. Consequently, tremendously diverse marine organisms have become a great source of numerous biological macromolecules that can be used to develop tissue-engineered substitutes with wound healing properties. This review summarizes the wound healing process, the properties of macromolecules from marine organisms, and the involvement of these molecules in skin tissue regeneration applications. Copyright © 2015 Elsevier B.V. All rights reserved.

High-quality single crystals for neutron experiments

Indian Academy of Sciences (India)

studies and our collaborative research projects with other UK and international groups will be discussed. Keywords. Crystal growth; floating zone method; neutron scattering. ... of single crystals of new materials is a highly competitive business.

Food macromolecule based nanodelivery systems for enhancing the bioavailability of polyphenols

Directory of Open Access Journals (Sweden)

Bing Hu

2017-01-01

Full Text Available Diet polyphenols—primarily categorized into flavonoids (e.g., flavonols, flavones, flavan-3-ols, anthocyanidins, flavanones, and isoflavones and nonflavonoids (with major subclasses of stilbenes and phenolic acids—are reported to have health-promoting effects, such as antioxidant, antiinflammatory, anticarcinoma, antimicrobial, antiviral, and cardioprotective properties. However, their applications in functional foods or medicine are limited because of their inefficient systemic delivery and poor oral bioavailability. Epigallocatechin-3-gallate, curcumin, and resveratrol are the well-known representatives of the bioactive diet polyphenols but with poor bioavailability. Food macromolecule based nanoparticles have been fabricated using reassembled proteins, crosslinked polysaccharides, protein–polysaccharide conjugates (complexes, as well as emulsified lipid via safe procedures that could be applied in food. The human gastrointestinal digestion tract is the first place where the food grade macromolecule nanoparticles exert their effects on improving the bioavailability of diet polyphenols, via enhancing their solubility, preventing their degradation in the intestinal environment, elevating the permeation in small intestine, and even increasing their contents in the bloodstream. We contend that the stability and structure behaviors of nanocarriers in the gastrointestinal tract environment and the effects of nanoencapsulation on the metabolism of polyphenols warrant more focused attention in further studies.

Supramolecular Assembly of Comb-like Macromolecules Induced by Chemical Reactions that Modulate the Macromolecular Interactions In Situ.

Science.gov (United States)

Xia, Hongwei; Fu, Hailin; Zhang, Yanfeng; Shih, Kuo-Chih; Ren, Yuan; Anuganti, Murali; Nieh, Mu-Ping; Cheng, Jianjun; Lin, Yao

2017-08-16

Supramolecular polymerization or assembly of proteins or large macromolecular units by a homogeneous nucleation mechanism can be quite slow and require specific solution conditions. In nature, protein assembly is often regulated by molecules that modulate the electrostatic interactions of the protein subunits for various association strengths. The key to this regulation is the coupling of the assembly process with a reversible or irreversible chemical reaction that occurs within the constituent subunits. However, realizing this complex process by the rational design of synthetic molecules or macromolecules remains a challenge. Herein, we use a synthetic polypeptide-grafted comb macromolecule to demonstrate how the in situ modulation of interactions between the charged macromolecules affects their resulting supramolecular structures. The kinetics of structural formation was studied and can be described by a generalized model of nucleated polymerization containing secondary pathways. Basic thermodynamic analysis indicated the delicate role of the electrostatic interactions between the charged subunits in the reaction-induced assembly process. This approach may be applicable for assembling a variety of ionic soft matters that are amenable to chemical reactions in situ.

The CMS Electromagnetic Calorimeter: Results on Crystal Measurements, Quality Control and Data Management in the Rome Regional Center

CERN Document Server

Costantini, S

2004-01-01

The barrel of the CMS electromagnetic calorimeter is currently under construction and will contain 61200 PbWO4 crystals. Half of them are being fully characterized for dimensions, optical properties and light yield in the INFN-ENEA Regional Center near Rome. We describe the setup of an automatic quality control system for the crystal measurements and the present results on their qualification, as well as the REDACLE project, which has been developed to control and ease the production process. As it will not be possible to precalibrate the whole calorimeter,the crystal measurements and quality checks performed at the Regional Center will be crucial to provide a basis for fast in-situ calibration with particles. REDACLE is at the same time a fast database and a data management system, where the database and the workflow structures are decoupled, in order to obtain the best flexibility.

High-quality single crystal growth and magnetic property of Mn4Ta2O9

Science.gov (United States)

Cao, Yiming; Xu, Kun; Yang, Ya; Yang, Wangfan; Zhang, Yuanlei; Kang, Yanru; He, Xijia; Zheng, Anmin; Liu, Mian; Wei, Shengxian; Li, Zhe; Cao, Shixun

2018-06-01

A large-size single crystal of Mn4Ta2O9 with ∼3.5 mm in diameter and ∼65 mm in length was successfully grown for the first time by a newly designed one-step method based on the optical floating zone technique. Both the clear Laue spots and sharp XRD Bragg reflections suggest the high quality of the single crystal. In Mn4Ta2O9 single crystal, an antiferromagnetic phase transition was observed below Néel temperature 102 K along c axis, which is similar to the isostructural compound Mn4Nb2O9, but differs from the isostructural Co4Nb2O9. Relative dielectric constant at 30 kOe suggests that no magnetoelectric coupling exists in Mn4Ta2O9.

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules.

Science.gov (United States)

Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier

2018-01-01

Bio-macromolecules as DNA, lipid membranes and (poly)peptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes-often drugs or pollutants-that can (photo)sensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photo)sensitizers. Namely, absorption, emission and electronic circular dichroism (CD) spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i) to enhance absorption in the red and infra-red windows and (ii) to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/molecular mechanics (QM/MM) methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

Directory of Open Access Journals (Sweden)

Marco Marazzi

2018-04-01

Full Text Available Bio-macromolecules as DNA, lipid membranes and (polypeptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes—often drugs or pollutants—that can (photosensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photosensitizers. Namely, absorption, emission and electronic circular dichroism (CD spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i to enhance absorption in the red and infra-red windows and (ii to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/molecular mechanics (QM/MM methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

Science.gov (United States)

Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier

2018-04-01

Bio-macromolecules as DNA, lipid membranes and (poly)peptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes – often drugs or pollutants – that can (photo)sensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photo)sensitizers. Namely, absorption, emission and electronic circular dichroism (CD) spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i) to enhance absorption in the red and infra-red windows and (ii) to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/ molecular mechanics (QM/MM) methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

Controlled synthesis of high-quality crystals of monolayer MoS2 for nanoelectronic device application

DEFF Research Database (Denmark)

Yang, Xiaonian; Li, Qiang; Hu, Guofeng

2016-01-01

. Monolayer MoS2 so far can be obtained by mechanical exfoliation or chemical vapor deposition (CVD). However, controllable synthesis of large area monolayer MoS2 with high quality needs to be improved and their growth mechanism requires more studies. Here we report a systematical study on controlled...... synthesis of high-quality monolayer MoS2 single crystals using low pressure CVD. Large-size monolayer MoS2 triangles with an edge length up to 405 mu m were successfully synthesized. The Raman and photoluminescence spectroscopy studies indicate high homogenous optical characteristic of the synthesized...... monolayer MoS2 triangles. The transmission electron microscopy results demonstrate that monolayer MoS2 triangles are single crystals. The back-gated field effect transistors (FETs) fabricated using the as-grown monolayer MoS2 show typical n-type semiconductor behaviors with carrier mobility up to 21.8 cm(2...

The Growth of Protein Crystals Using McDUCK

Science.gov (United States)

Ewing, Felicia; Wilson, Lori; Nadarajah, Arunan; Pusey, Marc

1998-01-01

grown we are currently proposing McDUCK for the growth of macromolecule crystals for use in neutron diffraction studies.

Macromolecule exchange in Cuscuta-host plant interactions.

Science.gov (United States)

Kim, Gunjune; Westwood, James H

2015-08-01

Cuscuta species (dodders) are parasitic plants that are able to grow on many different host plants and can be destructive to crops. The connections between Cuscuta and its hosts allow movement of not only water and small nutrients, but also macromolecules including mRNA, proteins and viruses. Recent studies show that RNAs move bidirectionally between hosts and parasites and involve a large number of different genes. Although the function of mobile mRNAs has not been demonstrated in this system, small RNAs are also transmitted and a silencing construct expressed in hosts is able to affect expression of the target gene in the parasite. High throughput sequencing of host-parasite associations has the potential to greatly accelerate understanding of this remarkable interaction. Copyright © 2015 Elsevier Ltd. All rights reserved.

X-ray diffraction studies on merohedrally twinned Δ1-62NtNBCe1-A crystals of the sodium/bicarbonate cotransporter.

Science.gov (United States)

Gill, Harindarpal S; Dutcher, Lauren; Boron, Walter F; Patel, Samir; Guay-Woodford, Lisa M

2013-07-01

NBCe1-A membrane-embedded macromolecules that cotransport sodium and bicarbonate ions across the bilayer serve to maintain acid-base homeostasis throughout the body. Defects result in a number of renal and eye disorders, including type-II renal tubular acidosis and cataracts. Here, crystals of a human truncated mutant of the cytoplasmic N-terminal domain of NBCe1 (Δ1-62NtNBCe1-A) are reported that diffract X-rays to 2.4 Å resolution. The crystal symmetry of Δ1-62NtNBCe1-A is of space group P31 with pseudo-P3121 symmetry and it has a hemihedral twin fraction of 33.0%. The crystals may provide insight into the pathogenic processes observed in a subset of patients with truncating and point mutations in the gene encoding NBCe1.

A technique for measuring the quality of an elliptically bent pentaerythritol [PET(002)] crystal

Energy Technology Data Exchange (ETDEWEB)

Haugh, M. J., E-mail: haughmj@nv.doe.gov; Jacoby, K. D. [National Security Technologies, LLC, Livermore, California 94550 (United States); Barrios, M. A.; Thorn, D.; Emig, J. A.; Schneider, M. B. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)

2016-11-15

We present a technique for determining the X-ray spectral quality from each region of an elliptically curved PET(002) crystal. The investigative technique utilizes the shape of the crystal rocking curve which changes significantly as the radius of curvature changes. This unique quality information enables the spectroscopist to verify where in the spectral range that the spectrometer performance is satisfactory and where there are regions that would show spectral distortion. A collection of rocking curve measurements for elliptically curved PET(002) has been built up in our X-ray laboratory. The multi-lamellar model from the XOP software has been used as a guide and corrections were applied to the model based upon measurements. But, the measurement of R{sub I} at small radius of curvature shows an anomalous behavior; the multi-lamellar model fails to show this behavior. The effect of this anomalous R{sub I} behavior on an X-ray spectrometer calibration is calculated. It is compared to the multi-lamellar model calculation which is completely inadequate for predicting R{sub I} for this range of curvature and spectral energies.

A technique for measuring the quality of an elliptically bent pentaerythritol [PET(002)] crystal

International Nuclear Information System (INIS)

Haugh, M. J.; Jacoby, K. D.; Barrios, M. A.; Thorn, D.; Emig, J. A.; Schneider, M. B.

2016-01-01

We present a technique for determining the X-ray spectral quality from each region of an elliptically curved PET(002) crystal. The investigative technique utilizes the shape of the crystal rocking curve which changes significantly as the radius of curvature changes. This unique quality information enables the spectroscopist to verify where in the spectral range that the spectrometer performance is satisfactory and where there are regions that would show spectral distortion. A collection of rocking curve measurements for elliptically curved PET(002) has been built up in our X-ray laboratory. The multi-lamellar model from the XOP software has been used as a guide and corrections were applied to the model based upon measurements. But, the measurement of R I at small radius of curvature shows an anomalous behavior; the multi-lamellar model fails to show this behavior. The effect of this anomalous R I behavior on an X-ray spectrometer calibration is calculated. It is compared to the multi-lamellar model calculation which is completely inadequate for predicting R I for this range of curvature and spectral energies.

Rotational Diffusion of Macromolecules and Nanoparticles Modeled as Non-Overlapping Bead Arrays in an Effective Medium

Directory of Open Access Journals (Sweden)

Umar Twahir

2011-05-01

Full Text Available In this work, the retarding influence of a gel on the rotational motion of a macromolecule is investigated within the framework of the Effective Medium (EM model. This is an extension of an earlier study that considered the effect of a gel on the translational motion of a macromolecule [Allison, S. et al. J. Phys. Chem. B 2008, 112, 5858-5866]. The macromolecule is modeled as an array of non-overlapping spherical beads with no restriction placed on their size or configuration. Specific applications include the rotational motion of right circular cylinders and wormlike chains modeled as strings of identical touching beads. The procedure is then used to examine the electric birefringence decay of a 622 base pair DNA fragment in an agarose gel. At low gel concentration (M £ 0.010 gm/mL, good agreement between theory and experiment is achieved if the persistence length of DNA is taken to be 65 nm and the gel fiber radius of agarose is taken to be 2.5 nm. At higher gel concentrations, the EM model substantially underestimates the rotational relaxation time of DNA and this can be attributed to the onset of direct interactions that become significant when the effective particle size becomes comparable to the mean gel fiber spacing.

Rigidity of Glasses and Macromolecules

Science.gov (United States)

Thorpe, M. F.

1998-03-01

The simple yet powerful ideas of percolation theory have found their way into many different areas of research. In this talk we show how RIGIDITY PERCOLATION can be studied at a similar level of sophistication, using a powerful new program THE PEBBLE GAME (D. J. Jacobs and M. F. Thorpe, Phys. Rev. E) 53, 3682 (1996). that uses an integer algorithm. This program can analyse the rigidity of two and three dimensional networks containing more than one million bars and joints. We find the total number of floppy modes, and find the critical behavior as the network goes from floppy to rigid as more bars are added. We discuss the relevance of this work to network glasses, and how it relates to experiments that involve the mechanical properties like hardness and elasticity of covalent glassy networks like Ge_xAs_ySe_1-x-y and dicuss recent experiments that suggest that the rigidity transition may be first order (Xingwei Feng, W. J.Bresser and P. Boolchand, Phys. Rev. Lett 78), 4422 (1997).. This approach is also useful in macromolecules and proteins, where detailed information about the rigid domain structure can be obtained.

Growth of high quality Bi2Sr2CaCu2Oy single crystals by the modified vertical Bridgman method

International Nuclear Information System (INIS)

Nagashima, O.; Tanaka, H.; Echizen, Y.; Kishida, S.

2004-01-01

We grew Bi 2 Sr 2 CaCu 2 O y (Bi-2212) single crystals by the modified vertical Bridgman (VB) method, and investigated their characteristics in order to clarify the optimum growth conditions for obtaining high-quality Bi-2212 single crystals. The Bi-2212 single crystals were grown changing pulling rates or using starting materials after pre-treatments. We found that the superconducting critical temperature (T c ) of the single crystal prepared at a slow growth rate of 0.25 mm/h was about 88 K and that the single crystals were a Bi-2212 single phase. Moreover, the single crystals grown using the starting materials pre-treated in Ar and O 2 atmospheres, had the T c of about 88 and 86 K, respectively. In addition, both of single crystals were Bi-2212 single phase

Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state

International Nuclear Information System (INIS)

Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

2008-01-01

Hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0) and the quality of the crystals was characterized. Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5–8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH < 4.5 the border between the metastable region and the nucleation region shifted to the left (lower precipitant concentration) in the phase diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25–40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme

Growth from the melt of high-quality In2O3 and Ga2O3 single crystals

Energy Technology Data Exchange (ETDEWEB)

Fornari, Roberto; Galazka, Zbigniew; Uecker, Reinhard; Irmscher, Klaus [Leibniz Institute for Crystal Growth, Max-Born-Str. 2, 12489 Berlin (Germany)

2013-07-01

Because of their interesting properties semiconducting oxides, in particular Ga{sub 2}O{sub 3} In{sub 2}O{sub 3}, have recently received much attention. However, as they were deposited as films on hetero-substrates their quality was quite poor. The growth of high-quality bulk Ga{sub 2}O{sub 3} and In{sub 2}O{sub 3} and manufacture of the corresponding substrates can allow the deposition of high-quality epilayers with lower residual carrier density and fewer extended defects. For this reason IKZ has undertaken an effort to grow large single crystals of these oxide compounds from the melt. Transparent semiconducting Ga{sub 2}O{sub 3} single crystals with diameter of about 20 mm and 50-60 mm long were grown by the Czochralski method along the b-axis, using an Iridium crucible and a dynamic protective atmosphere to minimize the dissociation of Ga{sub 2}O{sub 3} melt and ingot. In the case of In{sub 2}O{sub 3} the Czochralski technique is not applicable and it was necessary to develop a novel melt growth method. This new method indeed supplied crystals from which oriented substrates could be prepared. In this presentation the melt growth of Ga{sub 2}O{sub 3} and In{sub 2}O{sub 3} single crystals will be reviewed. An important feature of both materials is given by their strong sensitivity to thermal processing: the free carrier concentration and the absorption spectra drastically vary as a function of annealing temperature, duration and ambient. The possible causes are discussed.

Crystal quality of two-dimensional gallium telluride and gallium selenide using Raman fingerprint

Directory of Open Access Journals (Sweden)

Jannatul Susoma

2017-01-01

Full Text Available We have established Raman fingerprint of GaTe and GaSe to investigate their crystal quality. As unencapsulated, they both oxidise in ambient conditions which can be detected in their Raman analysis. X-ray photoelectron spectroscopy (XPS analysis shows a good agreement with Raman analysis. 50-nm-thick Al2O3 encapsulation layer deposited by atomic layer deposition (ALD inhibits degradation in ambient conditions.

Macromolecular crystallization in microgravity generated by a superconducting magnet.

Science.gov (United States)

Wakayama, N I; Yin, D C; Harata, K; Kiyoshi, T; Fujiwara, M; Tanimoto, Y

2006-09-01

About 30% of the protein crystals grown in space yield better X-ray diffraction data than the best crystals grown on the earth. The microgravity environments provided by the application of an upward magnetic force constitute excellent candidates for simulating the microgravity conditions in space. Here, we describe a method to control effective gravity and formation of protein crystals in various levels of effective gravity. Since 2002, the stable and long-time durable microgravity generated by a convenient type of superconducting magnet has been available for protein crystal growth. For the first time, protein crystals, orthorhombic lysozyme, were grown at microgravity on the earth, and it was proved that this microgravity improved the crystal quality effectively and reproducibly. The present method always accompanies a strong magnetic field, and the magnetic field itself seems to improve crystal quality. Microgravity is not always effective for improving crystal quality. When we applied this microgravity to the formation of cubic porcine insulin and tetragonal lysozyme crystals, we observed no dependence of effective gravity on crystal quality. Thus, this kind of test will be useful for selecting promising proteins prior to the space experiments. Finally, the microgravity generated by the magnet is compared with that in space, considering the cost, the quality of microgravity, experimental convenience, etc., and the future use of this microgravity for macromolecular crystal growth is discussed.

Nasal Absorption of Macromolecules from Powder Formulations and Effects of Sodium Carboxymethyl Cellulose on Their Absorption.

Directory of Open Access Journals (Sweden)

Akiko Tanaka

Full Text Available The nasal absorption of macromolecules from powder formulations and the effect of sodium carboxymethyl cellulose (CMC-Na as a pharmaceutical excipient on their absorption were studied. Model macromolecules were fluorescein isothiocyanate-labeled dextran (average molecular weight of 4.4kDa, FD4 and insulin. The plasma concentration of FD4 after application of the powder containing 50% starch (control was higher than that after application of the solution, and the absorption from 50% starch powder was enhanced by the substitution of starch with CMC-Na. The fractional absorption of FD4 after administration of the CMC-Na powder formulation was 30% and 40% higher than that after administration from the solution and the starch powder, respectively. The nasal absorption of insulin from the powder and the effect of CMC-Na were similar with those of FD4. The effective absorption of FD4 and insulin after application of powder with CMC-Na could be due to the increase in the nasal residence of FD4 and insulin. No damage in the nasal mucosa or dysfunction of the mucociliary clearance was observed after application of the drug powder and CMC-Na. The present findings indicate that nasal delivery of powder formulations with the addition of CMC-Na as an excipient is a promising approach for improving the nasal absorption of macromolecules.

Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active Site

Directory of Open Access Journals (Sweden)

Hymavati

2012-01-01

Full Text Available Water molecules play a crucial role in mediating the interaction between a ligand and a macromolecule. The solvent environment around such biomolecule controls their structure and plays important role in protein-ligand interactions. An understanding of the nature and role of these water molecules in the active site of a protein could greatly increase the efficiency of rational drug design approaches. We have performed the comparative crystal structure analysis of aldose reductase to understand the role of crystal water in protein-ligand interaction. Molecular dynamics simulation has shown the versatile nature of water molecules in bridge H bonding during interaction. Occupancy and life time of water molecules depend on the type of cocrystallized ligand present in the structure. The information may be useful in rational approach to customize the ligand, and thereby longer occupancy and life time for bridge H-bonding.

Calculation of X-ray scattering curves and electron distance distribution functions of biological macromolecules in solution using the PROTEIN DATA BANK

International Nuclear Information System (INIS)

Mueller, J.J.; Friedrichowicz, E.; Nothnagel, A.; Wunderlich, T.; Ziehlsdorf, E.; Damaschun, G.

1983-01-01

The wide angle X-ray scattering curve, the electron distance distribution function and the solvent excluded volume of a macromolecule in solution are calculated from the atomic coordinates contained in the PROTEIN DATA BANK. The structures and the projections of the excluded volumes are depicted using molecule graphic routines. The described computer programs are used to determine the three-dimensional structure of macromolecules in solution from wide angle X-ray scattering data. (author)

A stochastic finite element model for the dynamics of globular macromolecules

Science.gov (United States)

Oliver, Robin C.; Read, Daniel J.; Harlen, Oliver G.; Harris, Sarah A.

2013-04-01

We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a non-linear treatment of elasticity and viscosity with thermal noise that is solved using finite element analysis. We have validated the method by demonstrating that the model provides average kinetic and potential energies that are in agreement with the classical equipartition theorem and that the nodal velocities have the correct Gaussian distribution. In addition, we have performed Fourier analysis on the simulation trajectories obtained for a series of linear beams to confirm that the correct average energies are present in the first two Fourier bending modes and that the probability distribution of the amplitudes of the first two Fourier modes match the theoretical results. We demonstrate spatial convergence of the model by showing that the anisotropy of the inertia tensor for a cubic mesh converges as a function of the mesh resolution. We have then used the new modelling method to simulate the thermal fluctuations of a representative protein over 500 ns timescales. Using reasonable parameters for the material properties, we have demonstrated that the overall deformation of the biomolecule is consistent with the results obtained for proteins in general from atomistic molecular dynamics simulations.

The liquid protein phase in crystallization: a case study—intact immunoglobulins

Science.gov (United States)

Kuznetsov, Yurii G.; Malkin, Alexander J.; McPherson, Alexander

2001-11-01

A common observation by protein chemists has been the appearance, for many proteins in aqueous solutions, of oil like droplets, or in more extreme cases the formation of a second oil like phase. These may accompany the formation of precipitate in "salting out" or "salting in' procedures, but more commonly appear in place of any precipitate. Such phase separations also occur, with even greater frequency, in the presence of polymeric precipitants such as polyethyleneglycol (PEG). In general the appearance of a second liquid phase has been taken as indicative of protein aggregation, though an aggregate state distinctly different from that characteristic of amorphous precipitate. While the latter is thought to be composed of linear and branched assemblies, polymers of a sort, the oil phase suggests a more compact, three-dimensional, but fluid state. An important property of an alternate, fluid phase is that it can mediate transitions between other states, for example, between protein molecules free in solution and protein molecules immobilized in amorphous precipitate or crystals. The "liquid protein" phase can be readily observed in many crystallization experiments either prior to the appearance of visible crystals, or directly participating in the crystal growth process. In some cases the relationship between the liquid phase and developing crystals is intimate. Crystals grow directly from the liquid phase, or appear only after the visible formation of the liquid phase. We describe here our experience with a class of macromolecules, immunoglobulins, and particularly IDEC-151, an IgG specific for CD4 on human lymphocytes. This protein has been crystallized from a Jeffamine-LiSO 4 mother liquor and, its crystallization illustrates many of the features associated with the liquid protein, or protein rich phase.

Systematic Procedure for Generating Operational Policies to Achieve Target Crystal Size Distribution (CSD) in Batch Cooling Crystallization

DEFF Research Database (Denmark)

Abdul Samad, Noor Asma Fazli; Singh, Ravendra; Sin, Gürkan

2011-01-01

Batch cooling crystallization is one of the important unit operations involving separation of solid-liquid phases. Usually the most common crystal product qualities are directly related to the crystal size distribution (CSD). However the main difficulty in batch crystallization is to obtain a uni...

A dural lymphatic vascular system that drains brain interstitial fluid and macromolecules.

Science.gov (United States)

Aspelund, Aleksanteri; Antila, Salli; Proulx, Steven T; Karlsen, Tine Veronica; Karaman, Sinem; Detmar, Michael; Wiig, Helge; Alitalo, Kari

2015-06-29

The central nervous system (CNS) is considered an organ devoid of lymphatic vasculature. Yet, part of the cerebrospinal fluid (CSF) drains into the cervical lymph nodes (LNs). The mechanism of CSF entry into the LNs has been unclear. Here we report the surprising finding of a lymphatic vessel network in the dura mater of the mouse brain. We show that dural lymphatic vessels absorb CSF from the adjacent subarachnoid space and brain interstitial fluid (ISF) via the glymphatic system. Dural lymphatic vessels transport fluid into deep cervical LNs (dcLNs) via foramina at the base of the skull. In a transgenic mouse model expressing a VEGF-C/D trap and displaying complete aplasia of the dural lymphatic vessels, macromolecule clearance from the brain was attenuated and transport from the subarachnoid space into dcLNs was abrogated. Surprisingly, brain ISF pressure and water content were unaffected. Overall, these findings indicate that the mechanism of CSF flow into the dcLNs is directly via an adjacent dural lymphatic network, which may be important for the clearance of macromolecules from the brain. Importantly, these results call for a reexamination of the role of the lymphatic system in CNS physiology and disease. © 2015 Aspelund et al.

RNA Crystallization

Science.gov (United States)

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.

Lab-on-a-Chip Based Protein Crystallization

Science.gov (United States)

vanderWoerd, Mark J.; Brasseur, Michael M.; Spearing, Scott F.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

We are developing a novel technique with which we will grow protein crystals in very small volumes, utilizing chip-based, microfluidic ("LabChip") technology. This development, which is a collaborative effort between NASA's Marshall Space Flight Center and Caliper Technologies Corporation, promises a breakthrough in the field of protein crystal growth. Our initial results obtained from two model proteins, Lysozyme and Thaumatin, show that it is feasible to dispense and adequately mix protein and precipitant solutions on a nano-liter scale. The mixtures have shown crystal growth in volumes in the range of 10 nanoliters to 5 microliters. In addition, large diffraction quality crystals were obtained by this method. X-ray data from these crystals were shown to be of excellent quality. Our future efforts will include the further development of protein crystal growth with LabChip(trademark) technology for more complex systems. We will initially address the batch growth method, followed by the vapor diffusion method and the liquid-liquid diffusion method. The culmination of these chip developments is to lead to an on orbit protein crystallization facility on the International Space Station. Structural biologists will be invited to utilize the on orbit Iterative Biological Crystallization facility to grow high quality macromolecular crystals in microgravity.

Crystallization and evaluation of hen egg-white lysozyme crystals for protein pH titration in the crystalline state.

Science.gov (United States)

Iwai, Wakari; Yagi, Daichi; Ishikawa, Takuya; Ohnishi, Yuki; Tanaka, Ichiro; Niimura, Nobuo

2008-05-01

To observe the ionized status of the amino acid residues in proteins at different pH (protein pH titration in the crystalline state) by neutron diffraction, hen egg-white lysozyme was crystallized over a wide pH range (2.5-8.0). Crystallization phase diagrams at pH 2.5, 6.0 and 7.5 were determined. At pH diagram, and at pH > 4.5 the border shifted to the right (higher precipitant concentration). The qualities of these crystals were characterized using the Wilson plot method. The qualities of all crystals at different pH were more or less equivalent (B-factor values within 25-40). It is expected that neutron diffraction analysis of these crystals of different pH provides equivalent data in quality for discussions of protein pH titration in the crystalline state of hen egg-white lysozyme.

Matrix metalloproteinase-20 mediates dental enamel biomineralization by preventing protein occlusion inside apatite crystals.

Science.gov (United States)

Prajapati, Saumya; Tao, Jinhui; Ruan, Qichao; De Yoreo, James J; Moradian-Oldak, Janet

2016-01-01

Reconstruction of enamel-like materials is a central topic of research in dentistry and material sciences. The importance of precise proteolytic mechanisms in amelogenesis to form a hard tissue with more than 95% mineral content has already been reported. A mutation in the Matrix Metalloproteinase-20 (MMP-20) gene results in hypomineralized enamel that is thin, disorganized and breaks from the underlying dentin. We hypothesized that the absence of MMP-20 during amelogenesis results in the occlusion of amelogenin in the enamel hydroxyapatite crystals. We used spectroscopy and electron microscopy techniques to qualitatively and quantitatively analyze occluded proteins within the isolated enamel crystals from MMP-20 null and Wild type (WT) mice. Our results showed that the isolated enamel crystals of MMP-20 null mice had more organic macromolecules occluded inside them than enamel crystals from the WT. The crystal lattice arrangements of MMP-20 null enamel crystals analyzed by High Resolution Transmission Electron Microscopy (HRTEM) were found to be significantly different from those of the WT. Raman studies indicated that the crystallinity of the MMP-20 null enamel crystals was lower than that of the WT. In conclusion, we present a novel functional mechanism of MMP-20, specifically prevention of unwanted organic material entrapped in the forming enamel crystals, which occurs as the result of precise amelogenin cleavage. MMP-20 action guides the growth morphology of the forming hydroxyapatite crystals and enhances their crystallinity. Elucidating such molecular mechanisms can be applied in the design of novel biomaterials for future clinical applications in dental restoration or repair. Copyright © 2015 Elsevier Ltd. All rights reserved.

Investigation of the influence of crystal quality on Borrmann spectroscopy

International Nuclear Information System (INIS)

Kalaydzhyan, Aram

2012-12-01

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

Investigation of the influence of crystal quality on Borrmann spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kalaydzhyan, Aram

2012-12-15

The goal of thesis is to apply the dynamical theory of X-ray diffraction for perfect crystals to mosaic crystals, which are composed of slightly misoriented blocks. For this purpose statistical methods were used for the description of crystal defects. This concept was combined with the diffraction theory and implemented in code. This program was used for numerical simulations of diffraction processes in transmission geometry by plane barium titanate crystals. The computed dependencies on defects for Borrmann spectroscopy satisfy the initial expectations for medium orders of crystal defects qualitatively.

A Mo-anode-based in-house source for small-angle X-ray scattering measurements of biological macromolecules

Energy Technology Data Exchange (ETDEWEB)

Bruetzel, Linda K.; Fischer, Stefan; Salditt, Annalena; Sedlak, Steffen M.; Nickel, Bert; Lipfert, Jan, E-mail: Jan.Lipfert@lmu.de [Department of Physics, Nanosystems Initiative Munich, and Center for Nanoscience, Ludwig-Maximilians-University Munich, Amalienstr. 54, 80799 Munich, Germany and Geschwister-Scholl Platz 1, 80539 Munich (Germany)

2016-02-15

We demonstrate the use of a molybdenum-anode-based in-house small-angle X-ray scattering (SAXS) setup to study biological macromolecules in solution. Our system consists of a microfocus X-ray tube delivering a highly collimated flux of 2.5 × 10{sup 6} photons/s at a beam size of 1.2 × 1.2 mm{sup 2} at the collimation path exit and a maximum beam divergence of 0.16 mrad. The resulting observable scattering vectors q are in the range of 0.38 Å{sup −1} down to 0.009 Å{sup −1} in SAXS configuration and of 0.26 Å{sup −1} up to 5.7 Å{sup −1} in wide-angle X-ray scattering (WAXS) mode. To determine the capabilities of the instrument, we collected SAXS data on weakly scattering biological macromolecules including proteins and a nucleic acid sample with molecular weights varying from ∼12 to 69 kDa and concentrations of 1.5–24 mg/ml. The measured scattering data display a high signal-to-noise ratio up to q-values of ∼0.2 Å{sup −1} allowing for an accurate structural characterization of the samples. Moreover, the in-house source data are of sufficient quality to perform ab initio 3D structure reconstructions that are in excellent agreement with the available crystallographic structures. In addition, measurements for the detergent decyl-maltoside show that the setup can be used to determine the size, shape, and interactions (as characterized by the second virial coefficient) of detergent micelles. This demonstrates that the use of a Mo-anode based in-house source is sufficient to determine basic geometric parameters and 3D shapes of biomolecules and presents a viable alternative to valuable beam time at third generation synchrotron sources.

Production of polarizing Heusler crystals

Energy Technology Data Exchange (ETDEWEB)

Courtois, P. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1999-11-01

Heusler crystals simultaneously produce monochromatized and polarized neutrons. However, in the past, it was difficult to produce these crystals. In collaboration with the neutron scattering group of CEA Grenoble and LLB Saclay, the production of high quality Heusler crystals has been established at ILL. (author) 3 refs., 2 figs., 1 tab.

The MORPHEUS II protein crystallization screen

Energy Technology Data Exchange (ETDEWEB)

Gorrec, Fabrice, E-mail: fgorrec@mrc-lmb.cam.ac.uk [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom)

2015-06-27

MORPHEUS II is a 96-condition initial crystallization screen formulated de novo. The screen incorporates reagents selected from the Protein Data Bank to yield crystals that are not observed in traditional conditions. In addition, the formulation facilitates the optimization and cryoprotection of crystals. High-quality macromolecular crystals are a prerequisite for the process of protein structure determination by X-ray diffraction. Unfortunately, the relative yield of diffraction-quality crystals from crystallization experiments is often very low. In this context, innovative crystallization screen formulations are continuously being developed. In the past, MORPHEUS, a screen in which each condition integrates a mix of additives selected from the Protein Data Bank, a cryoprotectant and a buffer system, was developed. Here, MORPHEUS II, a follow-up to the original 96-condition initial screen, is described. Reagents were selected to yield crystals when none might be observed in traditional initial screens. Besides, the screen includes heavy atoms for experimental phasing and small polyols to ensure the cryoprotection of crystals. The suitability of the resulting novel conditions is shown by the crystallization of a broad variety of protein samples and their efficiency is compared with commercially available conditions.

The MORPHEUS II protein crystallization screen

International Nuclear Information System (INIS)

Gorrec, Fabrice

2015-01-01

MORPHEUS II is a 96-condition initial crystallization screen formulated de novo. The screen incorporates reagents selected from the Protein Data Bank to yield crystals that are not observed in traditional conditions. In addition, the formulation facilitates the optimization and cryoprotection of crystals. High-quality macromolecular crystals are a prerequisite for the process of protein structure determination by X-ray diffraction. Unfortunately, the relative yield of diffraction-quality crystals from crystallization experiments is often very low. In this context, innovative crystallization screen formulations are continuously being developed. In the past, MORPHEUS, a screen in which each condition integrates a mix of additives selected from the Protein Data Bank, a cryoprotectant and a buffer system, was developed. Here, MORPHEUS II, a follow-up to the original 96-condition initial screen, is described. Reagents were selected to yield crystals when none might be observed in traditional initial screens. Besides, the screen includes heavy atoms for experimental phasing and small polyols to ensure the cryoprotection of crystals. The suitability of the resulting novel conditions is shown by the crystallization of a broad variety of protein samples and their efficiency is compared with commercially available conditions

Hypersonic phononic crystals.

Science.gov (United States)

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.

Hydroxycinnamic acids are ester-linked directly to glucosyl moieties within the lignan macromolecule from flaxseed hulls

NARCIS (Netherlands)

Struijs, K.; Vincken, J.P.; Verhoef, R.P.; Voragen, A.G.J.; Gruppen, H.

2008-01-01

In flaxseed hulls, lignans are present in an oligomeric structure. Secoisolariciresinol diglucoside (SDG), ester-linked to hydroxy-methyl-glutaric acid (HMGA), forms the backbone of this lignan macromolecule. The hydroxycinnamic acids p-coumaric acid glucoside (CouAG) and ferulic acid glucoside

Measurements of Protein Crystal Face Growth Rates

Science.gov (United States)

Gorti, S.

2014-01-01

Protein crystal growth rates will be determined for several hyperthermophile proteins.; The growth rates will be assessed using available theoretical models, including kinetic roughening.; If/when kinetic roughening supersaturations are established, determinations of protein crystal quality over a range of supersaturations will also be assessed.; The results of our ground based effort may well address the existence of a correlation between fundamental growth mechanisms and protein crystal quality.

Sensitivity of the crystal quality of SiGe layers grown at low temperatures by trisilane and germane

Energy Technology Data Exchange (ETDEWEB)

Abedin, A., E-mail: aabedin@kth.se; Moeen, M.; Cappetta, C.; Östling, M.; Radamson, H.H., E-mail: rad@kth.se

2016-08-31

This work investigates the crystal quality of SiGe layers grown at low temperatures using trisilane, and germane precursors. The crystal quality sensitivity was monitored for hydrogen chloride and/or minor oxygen amount during SiGe epitaxy or at the interface of SiGe/Si layers. The quality of the epi-layers was examined by quantifying noise parameter, K{sub 1/f} obtained from the power spectral density vs. 1/f curves. The results indicate that while it is difficult to detect small defect densities in SiGe layers by physical material characterization, the noise measurement could reveal the effects of oxygen contamination as low as 0.16 mPa inside and in the interface of the layers. - Highlights: • SiGe layers were grown using trisilane and germane. • Effect of HCl flow on Ge content and growth rate was investigated. • O{sub 2} partial pressures up to 4.3 mPa did not affect x-ray diffraction pattern. • O{sub 2} partial pressures as low as 0.16 mPa increased the noise level. • HCl increased metal contaminations of the layers and the noise level consequently.

A screening-corrected additivity rule for the calculation of electron scattering from macro-molecules

International Nuclear Information System (INIS)

Blanco, F; Garcia, G

2009-01-01

A simplified form of the well-known screening-corrected additivity rule procedure for the calculation of electron-molecule cross sections is proposed for the treatment of some very large macro-molecules. While the comparison of the standard and simplified treatments for a DNA dodecamer reveals very similar results, the new treatment presents some important advantages for large molecules.

A Test of Macromolecular Crystallization in Microgravity: Large, Well-Ordered Insulin Crystals

Science.gov (United States)

Borgstahl, Gloria E. O.; Vahedi-Faridi, Ardeschir; Lovelace, Jeff; Bellamy, Henry D.; Snell, Edward H.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Crystals of insulin grown in microgravity on space shuttle mission STS-95 were extremely well-ordered and unusually large (many > 2 mm). The physical characteristics of six microgravity and six earth-grown crystals were examined by X-ray analysis employing superfine f slicing and unfocused synchrotron radiation. This experimental setup allowed hundreds of reflections to be precisely examined for each crystal in a short period of time. The microgravity crystals were on average 34 times larger, had 7 times lower mosaicity, had 54 times higher reflection peak heights and diffracted to significantly higher resolution than their earth grown counterparts. A single mosaic domain model could account for reflections in microgravity crystals whereas reflections from earth crystals required a model with multiple mosaic domains. This statistically significant and unbiased characterization indicates that the microgravity environment was useful for the improvement of crystal growth and resultant diffraction quality in insulin crystals and may be similarly useful for macromolecular crystals in general.

CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

KAUST Repository

Maculan, Giacomo

2015-09-02

Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

Chemical species of iodine in some seaweeds. Pt. 2. Iodine-bound biological macromolecules

International Nuclear Information System (INIS)

Xiaolin Hou; Chifang Chai; Xiaojun Yan

2000-01-01

The distribution of iodine in various biological macromolecules in Sargassum kjellmanianum was studied using neutron activation analysis combined with chemical and biochemical separation techniques. The results indicate that iodine is mainly bound with protein, part of iodine with pigment and polyphenol, and little with polysaccharides, such as algin, fucoidan and cellulose. This result is significant for the mechanism of enriching iodine of algae and utilization of alga iodine. (author)

Nanometer-scale structure of alkali-soluble bio-macromolecules of maize plant residues explains their recalcitrance in soil.

Science.gov (United States)

Adani, Fabrizio; Salati, Silvia; Spagnol, Manuela; Tambone, Fulvia; Genevini, Pierluigi; Pilu, Roberto; Nierop, Klaas G J

2009-07-01

The quantity and quality of plant litter in the soil play an important role in the soil organic matter balance. Besides other pedo-climatic aspects, the content of recalcitrant molecules of plant residues and their chemical composition play a major role in the preservation of plant residues. In this study, we report that intrinsically resistant alkali-soluble bio-macromolecules extracted from maize plant (plant-humic acid) (plant-HA) contribute directly to the soil organic matter (OM) by its addition and conservation in the soil. Furthermore, we also observed that a high syringyl/guaiacyl (S/G) ratio in the lignin residues comprising the plant tissue, which modifies the microscopic structure of the alkali-soluble plant biopolymers, enhances their recalcitrance because of lower accessibility of molecules to degrading enzymes. These results are in agreement with a recent study, which showed that the humic substance of soil consists of a mixture of identifiable biopolymers obtained directly from plant tissues that are added annually by maize plant residues.

Increased Plasma Colloid Osmotic Pressure Facilitates the Uptake of Therapeutic Macromolecules in a Xenograft Tumor Model

Directory of Open Access Journals (Sweden)

Matthias Hofmann

2009-08-01

Full Text Available Elevated tumor interstitial fluid pressure (TIFP is a characteristic of most solid tumors. Clinically, TIFP may hamper the uptake of chemotherapeutic drugs into the tumor tissue reducing their therapeutic efficacy. In this study, a means of modulating TIFP to increase the flux of macromolecules into tumor tissue is presented, which is based on the rationale that elevated plasma colloid osmotic pressure (COP pulls water from tumor interstitium lowering the TIFP. Concentrated human serum albumin: (20% HSA, used as an agent to enhance COP, reduced the TIFP time-dependently from 8 to 2 mm Hg in human tumor xenograft models bearing A431 epidermoid vulva carcinomas. To evaluate whether this reduction facilitates the uptake of macromolecules, the intratumoral distribution of fluorescently conjugated dextrans (2.5 mg/ml and cetuximab (2.0 mg/ml was probed using novel time domain nearinfrared fluorescence imaging. This method permitted discrimination and semiquantification of tumor-accumulated conjugate from background and unspecific probe fluorescence. The coadministration of 20% HSA together with either dextrans or cetuximab was found to lower the TIFP significantly and increase the concentration of the substances within the tumor tissue in comparison to control tumors. Furthermore, combined administration of 20%HSA plus cetuximab reduced the tumor growth significantly in comparison to standard cetuximab treatment. These data demonstrate that increased COP lowers the TIFP within hours and increases the uptake of therapeutic macromolecules into the tumor interstitium leading to reduced tumor growth. This model represents a novel approach to facilitate the delivery of therapeutics into tumor tissue, particularly monoclonal antibodies.

Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

Science.gov (United States)

Lazzerini, Giovanni Mattia; Paternò, Giuseppe Maria; Tregnago, Giulia; Treat, Neil; Stingelin, Natalie; Yacoot, Andrew; Cacialli, Franco

2016-02-01

We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of "molecular terraces" whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction.

Properties of nonvolatile and antibacterial bioboard produced from bamboo macromolecules by hot pressing

Directory of Open Access Journals (Sweden)

Shengbo Ge

2018-03-01

Full Text Available Employing the antibacterial property of industrial bamboo vinegar (IBV and the photocatalytic degradation of TiO2, bamboo macromolecules were pretreated and processed into nonvolatile and antibacterial bio board (NVABB. The NVABB was then analyzed by conducting Fourier-transform infrared spectroscopy, thermogravimetric analysis and differential thermal analysis. Results show that NVABB samples had average density of 0.96 g/cm3, which is appropriate for application. In terms of physical and mechanical properties, the best NVABB sample obtained from IBV, TiO2 and bamboo had an IBV pretreatment time of 10 min, 2% TiO2 and 1% bamboo charcoal. Fourier-transform infrared spectroscopy demonstrated that optimum conditions for hot pressing were a temperature of 170 °C, duration of 15 min and the addition of IBV and TiO2. Thermogravimetric analysis/differential thermal analysis curves suggest that the thermal degradation of NVABB was less than that of bamboo and that hot pressing obviously increased the thermal stability of HDBB samples. Analysis of the antimicrobial effect revealed that IBV pretreatment improves the antibacterial property of NVABB. Keywords: Industrial bamboo vinegar, Nonvolatile and antibacterial bio board, Bamboo macromolecules, Fourier-transform infrared spectroscopy, Thermogravimetric analysis/differential thermal analysis

Applications of the quasi-elastic light scattering to the study of dynamic properties of charged macro-molecules

International Nuclear Information System (INIS)

Gouesin-Menez, Renee

1979-01-01

The object of this research thesis is to study the modifications of dynamic properties of a macromolecule under the influence of variations of its medium, by using a frequency analysis of the spectrum of light scattered by a solution of particles. Thus, an important part of this thesis addresses the study and development of the scattering method and of its analysis by 'photon pulses', and the development and adjustment of an electrophoretic device to study light scattering by molecules submitted to an electric field. Then, hydrodynamic characteristics of some macromolecules have been measured with or without electric field. The studied molecular systems have been: calibrated spheres of latex polystyrene, a globular protein (bovine serum albumin), a polysaccharide (under the form of a rigid short stick), a flexible linear polyelectrolyte (polymethacrylate), and two DNA samples

Method for solid state crystal growth

Science.gov (United States)

Nolas, George S.; Beekman, Matthew K.

2013-04-09

A novel method for high quality crystal growth of intermetallic clathrates is presented. The synthesis of high quality pure phase crystals has been complicated by the simultaneous formation of both clathrate type-I and clathrate type-II structures. It was found that selective, phase pure, single-crystal growth of type-I and type-II clathrates can be achieved by maintaining sufficient partial pressure of a chemical constituent during slow, controlled deprivation of the chemical constituent from the primary reactant. The chemical constituent is slowly removed from the primary reactant by the reaction of the chemical constituent vapor with a secondary reactant, spatially separated from the primary reactant, in a closed volume under uniaxial pressure and heat to form the single phase pure crystals.

Glass-embedded two-dimensional silicon photonic crystal devices with a broad bandwidth waveguide and a high quality nanocavity.

Science.gov (United States)

Jeon, Seung-Woo; Han, Jin-Kyu; Song, Bong-Shik; Noda, Susumu

2010-08-30

To enhance the mechanical stability of a two-dimensional photonic crystal slab structure and maintain its excellent performance, we designed a glass-embedded silicon photonic crystal device consisting of a broad bandwidth waveguide and a nanocavity with a high quality (Q) factor, and then fabricated the structure using spin-on glass (SOG). Furthermore, we showed that the refractive index of the SOG could be tuned from 1.37 to 1.57 by varying the curing temperature of the SOG. Finally, we demonstrated a glass-embedded heterostructured cavity with an ultrahigh Q factor of 160,000 by adjusting the refractive index of the SOG.

Epitaxial growth of thin single-crystals and their quality study by Rutherford scattering in channeling conditions

International Nuclear Information System (INIS)

Kirsch, Robert.

1975-01-01

Some aspects of thin crystalline layers are reminded: vacuum deposition, epitaxial growth, annealing and interdiffusion ion channeling and scattering of 1-2MeV helium ions are used to study the crystalline quality, the annealing effects and in some cases the interdiffusion in epitaxial multilayers of silver, copper gold and nickel. Thin single-crystals of gold and nickel oriented (III) plan parallel to the surface were obtained by successive epitaxial growth from muscovite mica clivages. The mounting techniques of single crystalline, self-supporting, 300 to 1200 Angstroems thick, gold and nickel targets of 3mm diameter are described. The gold single-crystals have dislocation densities of 10 8 cm -2 and the various epitaxial layers are obtained without twinning [fr

Simple and effective procedure for conformational search of macromolecules. Application to Met- and Leu-Enkephalin

Energy Technology Data Exchange (ETDEWEB)

Meirovitch, H.; Meirovitch, E. (Florida State Univ., Tallahassee, FL (United States)); Michel, A.G. (Institut de Recherches Serrier, Suresnes (France)); Vasquez, M. (Protein Design Lab., Mountain View, CA (United States))

1994-06-23

A simple and efficient method for searching the conformational space of macromolecules is presented. With this method an initial set of relatively low-energy structures is generated, and their energies are further minimized with a procedure that enables escaping from local energy minima. Illustrative calculations are described for Met- and Leu-enkephalin. 37 refs., 1 tab.

Crystal Structure of the 30S Ribosomal Subunit from Thermus Thermophilus: Purification, Crystallization and Structure Determination

International Nuclear Information System (INIS)

Clemons, William M. Jr.; Brodersen, Ditlev E.; McCutcheonn, John P.; May, Joanna L.C.; Carter, Andrew P.; Morgan-Warren, Robert J.; Wimberly, Brian T.; Ramakrishnan, Venki

2001-01-01

We describe the crystallization and structure determination of the 30 S ribosomal subunit from Thermus thermophilus. Previous reports of crystals that diffracted to 10 (angstrom) resolution were used as a starting point to improve the quality of the diffraction. Eventually, ideas such as the addition of substrates or factors to eliminate conformational heterogeneity proved less important than attention to detail in yielding crystals that diffracted beyond 3 (angstrom) resolution. Despite improvements in technology and methodology in the last decade, the structure determination of the 30 S subunit presented some very challenging technical problems because of the size of the asymmetric unit, crystal variability and sensitivity to radiation damage. Some steps that were useful for determination of the atomic structure were: the use of anomalous scattering from the LIII edges of osmium and lutetium to obtain the necessary phasing signal; the use of tunable, third-generation synchrotron sources to obtain data of reasonable quality at high resolution; collection of derivative data precisely about a mirror plane to preserve small anomalous differences between Bijvoet mates despite extensive radiation damage and multi-crystal scaling; the pre-screening of crystals to ensure quality, isomorphism and the efficient use of scarce third-generation synchrotron time; pre-incubation of crystals in cobalt hexaammine to ensure isomorphism with other derivatives; and finally, the placement of proteins whose structures had been previously solved in isolation, in conjunction with biochemical data on protein-RNA interactions, to map out the architecture of the 30 S subunit prior to the construction of a detailed atomic-resolution model.

Crystal Growth of High-Quality Protein Crystals under the Presence of an Alternant Electric Field in Pulse-Wave Mode, and a Strong Magnetic Field with Radio Frequency Pulses Characterized by X-ray Diffraction

Directory of Open Access Journals (Sweden)

Adela Rodríguez-Romero

2017-06-01

Full Text Available The first part of this research was devoted to investigating the effect of alternate current (AC using four different types of wave modes (pulse-wave at 2 Hz on the crystal growth of lysozyme in solution. The best results, in terms of size and crystal quality, were obtained when protein crystals were grown under the influence of electric fields in a very specific wave mode (“breathing” wave, giving the highest resolution up to 1.34 Å in X-ray diffraction analysis compared with controls and with those crystals grown in gel. In the second part, we evaluated the effect of a strong magnetic field of 16.5 Tesla combined with radiofrequency pulses of 0.43 μs on the crystal growth in gels of tetragonal hen egg white (HEW lysozyme. The lysozyme crystals grown, both in solution applying breathing-wave and in gel under the influence of this strong magnetic field with pulses of radio frequencies, produced the larger-in-size crystals and the highest resolution structures. Data processing and refinement statistics are very good in terms of the resolution, mosaicity and Wilson B factor obtained for each crystal. Besides, electron density maps show well-defined and distinctly separated atoms at several selected tryptophan residues for the crystal grown using the “breathing wave pulses”.

EFFECT OF CONTINUOUS CRYSTALLIZER PERFORMANCE ON STRUVITE CRYSTALS PRODUCED IN REACTION CRYSTALLIZATION FROM SOLUTIONS CONTAINING PHOSPHATE(V AND ZINC(II IONS

Directory of Open Access Journals (Sweden)

N. Hutnik

Full Text Available Abstract Continuous reaction crystallization of struvite from aqueous solutions containing phosphate(V (1.0 mass % and zinc(II ions (from 0.1 to 2.0 mg kg-1 in a continuous DT MSMPR crystallizer was investigated. The influence of pH (9 - 11 and mean residence time (900 - 3600 s on the product characteristics and its chemical composition was tested. Struvite crystals of mean size 22-41 µm were produced. An increase in Zn2+ concentration decreased the mean crystal size and homogeneity. An elevation of the pH also decreased the struvite crystal size. Augmenting the mean residence time influenced product quality advantageously. Coexistence of struvite and Zn(OH2 in the product was confirmed analytically.

Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

International Nuclear Information System (INIS)

Lazzerini, Giovanni Mattia; Yacoot, Andrew; Paternò, Giuseppe Maria; Tregnago, Giulia; Cacialli, Franco; Treat, Neil; Stingelin, Natalie

2016-01-01

We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of “molecular terraces” whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction

Free diffusion of translation of macromolecules in solution with the rayleigh interferometer

International Nuclear Information System (INIS)

Leger, J.J.

1969-01-01

The aim of this study is to develop a rapid and accurate measurement, with the Rayleigh interferometer, of the free diffusion coefficient of translation of macromolecules in solution. After having explained the choice of a diffusion cell with laminar lateral flow, and explained the principle of the Rayleigh interferometer, a semi-automatic technique of free diffusion are then introduced. Solutions are proposed for systems composed of two or three components, such as biopolymers. The paper ends by drafting the possible treatment of recorded experimental data by means of electronic computer. (author) [fr

Macromolecules in Flatland

Science.gov (United States)

Prasad, Ashok

This thesis is on statistical mechanics of semiflexible polymers, and diffusion and fluid mechanics in lipid membranes. In chapter two the worm-like chain model of DNA under an applied force in two dimensions is solved analytically in terms of an expansion in Mathieu functions. An analytical expression for the force-extension relation for long polymers is computed in terms of Mathieu characteristic functions. The nematic order parameter and average extension of the polymer stretched by a strong nematic field are also derived. In chapter three the force-extension relations for short semiflexible polymers or long polymers under large forces are calculated analytically using the generating functional formalism of field theory. It is shown that boundary conditions like axis-clamping affect the force extension curves. This formalism is also applied to a charged polymer under the influence of an electric field, and analytical formulae for the force-extension relation are obtained. In chapter four the results of an experiment on the collapse of actin molecule into racquet-like structures due to the depletion interaction are reported, and the strength of the attractive interaction between actin filaments is measured. In chapter five a theoretical model of polymer diffusion in supported membranes is constructed. The velocity fields of inclusions in lipid membranes are analyzed and it is found that inclusions create domains of entrained lipids of a characteristic size. The diffusion constant of a self-avoiding polymer in the membrane is calculated and it is shown that by altering the hydrodynamic length scale which sets the size of the entrained domains, the diffusive properties of the polymer changes in character from uncorrelated Rouse-like behavior to a solid disk-like behavior. The implications for the diffusion of macromolecules in plasma membranes are discussed. In chapter six the drift of a moving object in a lipid membrane is studied. The drift is a measure of the

Design and Development of a Robot-Based Automation System for Cryogenic Crystal Sample Mounting at the Advanced Photon Source

International Nuclear Information System (INIS)

Shu, D.; Preissner, C.; Nocher, D.; Han, Y.; Barraza, J.; Lee, P.; Lee, W.-K.; Cai, Z.; Ginell, S.; Alkire, R.; Lazarski, K.; Schuessler, R.; Joachimiak, A.

2004-01-01

X-ray crystallography is the primary method to determine the 3D structures of complex macromolecules at high resolution. In the years to come, the Advanced Photon Source (APS) and similar 3rd-generation synchrotron sources elsewhere will become the most powerful tools for studying atomic structures of biological molecules. One of the major bottlenecks in the x-ray data collection process is the constant need to change and realign the crystal sample. This is a very time- and manpower-consuming task. An automated sample mounting system will help to solve this bottleneck problem. We have developed a novel robot-based automation system for cryogenic crystal sample mounting at the APS. Design of the robot-based automation system, as well as its on-line test results at the Argonne Structural Biology Center (SBC) 19-BM experimental station, are presented in this paper

Multiphysical simulation analysis of the dislocation structure in germanium single crystals

Science.gov (United States)

Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

2016-09-01

To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

International Nuclear Information System (INIS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-01-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Science.gov (United States)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Energy Technology Data Exchange (ETDEWEB)

Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)

2016-12-20

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Non-isothermal crystallization kinetic of poly(ethylene terephthalate)/fumed silica (PET/SiO2) prepared by in situ polymerization

International Nuclear Information System (INIS)

Antoniadis, G.; Paraskevopoulos, K.M.; Bikiaris, D.; Chrissafis, K.

2010-01-01

A number of poly(ethylene terephthalate) (PET) nanocomposites were prepared by in situ polymerization using different amounts (0.5, 1, 2, 3 and 4 wt%) of fumed silica (SiO 2 ). The polymerization of PET was carried out by the two-stage melt polycondensation method. From DSC studies it was found that the melting point of the nanocomposites was shifted slightly to higher temperatures by the addition of SiO 2 till 3 wt% while for PET-4 wt% SiO 2 nanocomposite the melting point was reduced. As the amount of SiO 2 was increased the crystallization became faster, and there was, also, a shifting of the temperature of the crystallization peak to higher values, this being evidence that SiO 2 can act as nucleating agent. At higher content (3 and 4 wt%) the temperature of the crystallization peak is lower than that of PET-2 wt% SiO 2 due to the formation of crosslinked macromolecules. The activation energy is calculated with the Friedman's method. PET/SiO 2 samples present lower activation energy compared to that of neat PET, except those of PET-4% SiO 2 , in which the activation energy have a maximum value for α = 0.8 probably due to the second crystallization peak. Extensive crystallization studies by using Avrami, Ozawa and Malek methods verified that PET and its nanocomposites must be crystallized by two mechanisms with different activation energies taking place in different degrees of crystallization.

Analysis of an industrial production suspension of Bacillus lentus subtilisin crystals by powder diffraction: a powerful quality-control tool

DEFF Research Database (Denmark)

Frankær, Christian Grundahl; Moroz, Olga V.; Turkenburg, Johan P.

2014-01-01

. A controlled crystallization experiment with a highly purified Savinase sample allowed the growth of single crystals of the form identified by XRPD; their structure was solved and refined to a resolution of 1.17 Å with an R of 9.2% and an Rfree of 11.8%. Thus, there are at least three polymorphs present...... in the production suspension, albeit with the 1ndq -like microcrystals predominating. It is shown how the two techniques can provide invaluable and complementary information for such a production suspension and it is proposed that XRPD provides an excellent quality-control tool for such suspensions....

Crystal growth, optical properties, and laser operation of Yb3+-doped NYW single crystal

Science.gov (United States)

Cheng, Y.; Xu, X. D.; Yang, X. B.; Xin, Z.; Cao, D. H.; Xu, J.

2009-11-01

Laser crystal Yb3+-doped NaY(WO4)2 (Yb:NYW) with excellent quality has been grown by Czochralski technique. The rocking curves from (400) plane of as-grown Yb:NYW crystal was measured and the full-width value at half-maximum was 19.92″. The effective segregation coefficients were measured by the X-ray fluorescence method. The polarized absorption spectra and the fluorescence spectra of Yb:NYW crystal were measured at room temperature. The fluorescence decay lifetime of Yb3+ ion in NYW crystal has been investigated. The spectroscopic parameters of Yb:NYW crystal are calculated and compared with those of Yb:YAG crystal. A continuous wave output power of 3.06 W at 1031 nm was obtained with a slope efficiency of 42% by use of diode pumping.

Synthesis and evaluation of macromolecule-bound derivatives of a peptidyl-1-beta-D-arabinofuranosylcytosine prodrug.

Science.gov (United States)

Balajthy, Zoltan

2008-04-01

Macromolecule-bound Val-Leu-Lys-ara-C (1) prodrugs were synthesized with spacers (-HN-(CH(2))(x)-CO-; x =1,3,5) between the dextran carrier (T-70) and 1, in order to achieve a sustained-release drug delivery system dextran-NH-(CH(2))(x:1,3,5)-CO-Val-Leu-Lys-ara-C (5, 6 and 7). The conjugation increased the stability of 1 in aqueous buffer solutions by three times (t((1/2)) 53.0 h, pH 7.4). The length of spacer also regulated the rate of hydrolysis of the prodrugs in serum. The shortest spacer (-HN-(CH(2))-CO-, (2)) in 5 provided the best protection of 1 against the hydrolyzing ability of proteinase- alpha(2)-macroglobulin complexes, increasing its half-life approximately 30-fold. The conjugation procedure resulted in a growth arrest ability for macromolecular-bound prodrugs 5, 6 and 7 against L1210 with IC(50) of 0.01 microM in vitro, which is significantly lower than that of other ara-C-macromolecule conjugates. 5 and 6 arrested cell growth in a broader range of concentration, between 1 x 10(-5)-1.0 microM, than ara-C could.

A decade of crystallization drops: crystallization of the cbb3 cytochrome c oxidase from Pseudomonas stutzeri.

Science.gov (United States)

Buschmann, Sabine; Richers, Sebastian; Ermler, Ulrich; Michel, Hartmut

2014-04-01

The cbb3 cytochrome c oxidases are distant members of the superfamily of heme copper oxidases. These terminal oxidases couple O2 reduction with proton transport across the plasma membrane and, as a part of the respiratory chain, contribute to the generation of an electrochemical proton gradient. Compared with other structurally characterized members of the heme copper oxidases, the recently determined cbb3 oxidase structure at 3.2 Å resolution revealed significant differences in the electron supply system, the proton conducting pathways and the coupling of O2 reduction to proton translocation. In this paper, we present a detailed report on the key steps for structure determination. Improvement of the protein quality was achieved by optimization of the number of lipids attached to the protein as well as the separation of two cbb3 oxidase isoenzymes. The exchange of n-dodecyl-β-D-maltoside for a precisely defined mixture of two α-maltosides and decanoylsucrose as well as the choice of the crystallization method had a most profound impact on crystal quality. This report highlights problems frequently encountered in membrane protein crystallization and offers meaningful approaches to improve crystal quality. © 2014 The Protein Society.

Growth of optical-quality anthracene crystals doped with dibenzoterrylene for controlled single photon production

Energy Technology Data Exchange (ETDEWEB)

Major, Kyle D., E-mail: kyle.major11@imperial.ac.uk; Lien, Yu-Hung; Polisseni, Claudio; Grandi, Samuele; Kho, Kiang Wei; Clark, Alex S.; Hwang, J.; Hinds, E. A., E-mail: ed.hinds@imperial.ac.uk [Centre for Cold Matter, Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2AZ (United Kingdom)

2015-08-15

Dibenzoterrylene (DBT) molecules within a crystalline anthracene matrix show promise as quantum emitters for controlled, single photon production. We present the design and construction of a chamber in which we reproducibly grow doped anthracene crystals of optical quality that are several mm across and a few μm thick. We demonstrate control of the DBT concentration over the range 6–300 parts per trillion and show that these DBT molecules are stable single-photon emitters. We interpret our data with a simple model that provides some information on the vapour pressure of DBT.

Nanomechanical control of optical field and quality factor in photonic crystal structures

Science.gov (United States)

Cotrufo, Michele; Midolo, Leonardo; Zobenica, Žarko; Petruzzella, Maurangelo; van Otten, Frank W. M.; Fiore, Andrea

2018-03-01

Actively controlling the properties of localized optical modes is crucial for cavity quantum electrodynamics experiments. While several methods to tune the optical frequency have been demonstrated, the possibility of controlling the shape of the modes has scarcely been investigated. Yet an active manipulation of the mode pattern would allow direct control of the mode volume and the quality factor and therefore of the radiative processes. In this work, we propose and demonstrate a nano-optoelectromechanical device in which a mechanical displacement affects the spatial pattern of the electromagnetic field. The device is based on a double-membrane photonic crystal waveguide which, upon bending, creates a spatial modulation of the effective refractive index, resulting in an effective potential well or antiwell for the optical modes. The change in the field pattern drastically affects the optical losses: large modulations of the quality factors and dissipative coupling rates larger than 1 GHz/nm are predicted by calculations and confirmed by experiments. This concept opens new avenues in solid-state cavity quantum electrodynamics in which the field, instead of the frequency, is coupled to the mechanical motion.

Organic semiconductor crystals.

Science.gov (United States)

Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping

2018-01-22

Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.

Applications of thin-film sandwich crystallization platforms

Energy Technology Data Exchange (ETDEWEB)

Axford, Danny, E-mail: danny.axford@diamond.ac.uk; Aller, Pierre; Sanchez-Weatherby, Juan; Sandy, James [Diamond Light Source, Harwell Oxford, Didcot OX11 0DE (United Kingdom)

2016-03-24

Crystallization via sandwiches of thin polymer films is presented and discussed. Examples are shown of protein crystallization in, and data collection from, solutions sandwiched between thin polymer films using vapour-diffusion and batch methods. The crystallization platform is optimal for both visualization and in situ data collection, with the need for traditional harvesting being eliminated. In wells constructed from the thinnest plastic and with a minimum of aqueous liquid, flash-cooling to 100 K is possible without significant ice formation and without any degradation in crystal quality. The approach is simple; it utilizes low-cost consumables but yields high-quality data with minimal sample intervention and, with the very low levels of background X-ray scatter that are observed, is optimal for microcrystals.

Growth and Characterization of ZnTe Crystal

International Nuclear Information System (INIS)

Nann Thazin

2011-12-01

High quality ZnTe crystals have been synthesized by vapor Transport method. The grown crystals were p-type. The concentration and mobility were 2.5 x 10 16 cm-3 and 23 cm2/Vs at 300K, according to Hall effect measurements. Surface morphology of the crystal was investigated by scanning electron microscope (SEM). Crystal orientation and lattice parameters of the crystals were also analysed by XRD. From X-ray diffraction studies the structure of the grown crystals were found to be zinc-blende. The crystal emitted light in the visible range at room temperature.

Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C{sub 61}-butyric acid methyl ester

Energy Technology Data Exchange (ETDEWEB)

Lazzerini, Giovanni Mattia; Yacoot, Andrew [National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW (United Kingdom); Paternò, Giuseppe Maria; Tregnago, Giulia; Cacialli, Franco [Department of Physics and Astronomy and London Centre for Nanotechnology, University College London, Gower Street, London WC1E 6BT (United Kingdom); Treat, Neil; Stingelin, Natalie [Department of Materials Science, Imperial College London, London SW7 2AZ (United Kingdom)

2016-02-01

We report high-resolution, traceable atomic force microscopy measurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crystals' height. The optical interferometer together with the stabilized laser provides traceability (via the laser wavelength) of the vertical measurements made with the atomic force microscope. We find that the crystals can conform to the surface topography, thanks to their height being significantly smaller compared to their lateral dimensions (namely, heights between about 50 nm and 140 nm, for the crystals analysed, vs. several tens of microns lateral dimensions). The vast majority of the crystals are flat, but an isolated, non-flat crystal provides insights into the growth mechanism and allows identification of “molecular terraces” whose height corresponds to one of the lattice constants of the single PCBM crystal (1.4 nm) as measured with X-ray diffraction.

Conference on chemical evolution and the origin of life: Self-organization of the macromolecules of life

International Nuclear Information System (INIS)

1993-10-01

The formation of biomolecules was a necessary step in the evolution of life on earth. This interdisciplinary conference emphasized the role of replication in processes of self-organization of biological macromolecules. The present document contains abstracts of the 26 contributions to the conference on chemical evolution. The individual contributions have been indexed separately for the database

Automation in biological crystallization.

Science.gov (United States)

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.

Visualization of three pathways for macromolecule transport across cultured endothelium and their modification by flow.

Science.gov (United States)

Ghim, Mean; Alpresa, Paola; Yang, Sung-Wook; Braakman, Sietse T; Gray, Stephen G; Sherwin, Spencer J; van Reeuwijk, Maarten; Weinberg, Peter D

2017-11-01

Transport of macromolecules across vascular endothelium and its modification by fluid mechanical forces are important for normal tissue function and in the development of atherosclerosis. However, the routes by which macromolecules cross endothelium, the hemodynamic stresses that maintain endothelial physiology or trigger disease, and the dependence of transendothelial transport on hemodynamic stresses are controversial. We visualized pathways for macromolecule transport and determined the effect on these pathways of different types of flow. Endothelial monolayers were cultured under static conditions or on an orbital shaker producing different flow profiles in different parts of the wells. Fluorescent tracers that bound to the substrate after crossing the endothelium were used to identify transport pathways. Maps of tracer distribution were compared with numerical simulations of flow to determine effects of different shear stress metrics on permeability. Albumin-sized tracers dominantly crossed the cultured endothelium via junctions between neighboring cells, high-density lipoprotein-sized tracers crossed at tricellular junctions, and low-density lipoprotein-sized tracers crossed through cells. Cells aligned close to the angle that minimized shear stresses across their long axis. The rate of paracellular transport under flow correlated with the magnitude of these minimized transverse stresses, whereas transport across cells was uniformly reduced by all types of flow. These results contradict the long-standing two-pore theory of solute transport across microvessel walls and the consensus view that endothelial cells align with the mean shear vector. They suggest that endothelial cells minimize transverse shear, supporting its postulated proatherogenic role. Preliminary data show that similar tracer techniques are practicable in vivo. NEW & NOTEWORTHY Solutes of increasing size crossed cultured endothelium through intercellular junctions, through tricellular

Ectodomain of plasmodesmata-localized protein 5 in Arabidopsis: expression, purification, crystallization and crystallographic analysis.

Science.gov (United States)

Wang, Xiaocui; Zhu, Peiyan; Qu, Shanshan; Zhao, Jie; Singh, Prashant K; Wang, Wei

2017-09-01

Plasmodesmata-localized protein 5 (PDLP5) is a cysteine-rich receptor-like protein which is localized on the plasmodesmata of Arabidopsis thaliana. Overexpression of PDLP5 can reduce the permeability of the plasmodesmata and further affect the cell-to-cell movement of viruses and macromolecules in plants. The ectodomain of PDLP5 contains two DUF26 domains; however, the function of these domains is still unknown. Here, the ectodomain of PDLP5 from Arabidopsis was cloned and overexpressed using an insect expression system and was then purified and crystallized. X-ray diffraction data were collected to 1.90 Å resolution and were indexed in space group P1, with unit-cell parameters a = 41.9, b = 48.1, c = 62.2 Å, α = 97.3, β = 103.1, γ = 99.7°. Analysis of the crystal content indicated that there are two molecules in the asymmetric unit, with a Matthews coefficient of 2.51 Å 3  Da -1 and a solvent content of 50.97%.

A mathematical model for filtration and macromolecule transport across capillary walls.

Science.gov (United States)

Facchini, L; Bellin, A; Toro, E F

2014-07-01

Metabolic substrates, such as oxygen and glucose, are rapidly delivered to the cells of large organisms through filtration across microvessels walls. Modelling this important process is complicated by the strong coupling between flow and transport equations, which are linked through the osmotic pressure induced by the colloidal plasma proteins. The microvessel wall is a composite media with the internal glycocalyx layer exerting a strong sieving effect on macromolecules, with respect to the external layer composed by the endothelial cells. The physiological structure of the microvessel is represented as the superimposition of two membranes with different properties; the inner membrane represents the glycocalyx, while the outer membrane represents the surrounding endothelial cells. Application of the mass conservation principle and thermodynamic considerations lead to a model composed of two coupled second-order ordinary differential equations for the hydrostatic and osmotic pressures, one, expressing volumetric mass conservation and the other, which is non-linear in the unknown osmotic pressure, expressing macromolecules mass conservation. Despite the complexity of the system, the assumption that the properties of the layers are piece-wise constant allows us to obtain analytical solutions for the two pressures. This solution is in agreement with experimental observations, which contrary to common belief, show that flow reversal cannot occur in steady-state conditions unless the hydrostatic pressure in the lumen drops below physiologically plausible values. The observed variations of the volumetric flux and the solute mass flux in case of a significant reduction of the hydrostatic pressure at the lumen are in qualitative agreement with observed variations during detailed experiments reported in the literature. On the other hand, homogenising the microvessel wall into a single-layer membrane with equivalent properties leads to a very different distribution of

5,5'-Dithio-bis(2-nitrobenzoic acid) modification of cysteine improves the crystal quality of human chloride intracellular channel protein 2

International Nuclear Information System (INIS)

Mi Wei; Li Lanfen; Su Xiaodong

2008-01-01

Structural studies of human chloride intracellular channel protein 2 (CLIC2) had been hampered by the problem of generating suitable crystals primarily due to the protein containing exposed cysteines. Several chemical reagents were used to react with the cysteines on CLIC2 in order to modify the redox state of the protein. We have obtained high quality crystals that diffracted to better than 2.5 A at a home X-ray source by treating the protein with 5,5'-dithio-bis(2-nitrobenzoic acid) (DTNB). After solving the crystal structure of CLIC2, we found that the DTNB had reacted with the Cys 114 , and made CLIC2 in a homogenous oxidized state. This study demonstrated that the DTNB modification drastically improved the crystallization of CLIC2, and it implied that this method may be useful for other proteins containing exposed cysteines in general

Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

Science.gov (United States)

Tretiak, Sergei

2014-03-01

The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Flocculation of colloidal clay by bacterial polysaccharides: effect of macromolecule charge and structure.

Science.gov (United States)

Labille, J; Thomas, F; Milas, M; Vanhaverbeke, C

2005-04-01

The molecular mechanism of montmorillonite flocculation by bacterial polysaccharides was investigated, with special emphasis on the effect of carboxylic charges in the macromolecules on the mechanisms of interaction with the clay surface. An indirect way to quantify the energy of interaction was used, by comparing the flocculation ability of variously acidic polysaccharides. Data on tensile strength of aggregates in diluted suspension were collected by timed size measurements in the domain 0.1-600 microm, using laser diffraction. The flow behavior of settled aggregates was studied by rheology measurements. Flocculation of colloidal clay suspension by polysaccharides requires cancelling of the electrostatic repulsions by salts, which allows approach of clay surfaces close enough to be bridged by adsorbing macromolecules. The amount of acidic charges of the polysaccharides, and especially their location in the molecular structure, governs the bridging mechanism and the resulting tensile strength of the aggregates. The exposure of carboxylate groups located on side chains strongly promotes flocculation. In turn, charges located on the backbone of the polysaccharide are less accessible to interaction, and the flocculation ability of such polysaccharides is lowered. Measurements at different pH indicate that adsorption of acidic polysaccharides occurs via electrostatic interactions on the amphoteric edge surface of clay platelets, whereas neutral polysaccharides rather adsorb via weak interactions. Increased tensile strength in diluted aggregates due to strong surface interactions results in proportionally increased viscosity of the concentrated aggregates.

Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach.

Directory of Open Access Journals (Sweden)

Ulf Hensen

Full Text Available We develop a general minimally coupled subspace approach (MCSA to compute absolute entropies of macromolecules, such as proteins, from computer generated canonical ensembles. Our approach overcomes limitations of current estimates such as the quasi-harmonic approximation which neglects non-linear and higher-order correlations as well as multi-minima characteristics of protein energy landscapes. Here, Full Correlation Analysis, adaptive kernel density estimation, and mutual information expansions are combined and high accuracy is demonstrated for a number of test systems ranging from alkanes to a 14 residue peptide. We further computed the configurational entropy for the full 67-residue cofactor of the TATA box binding protein illustrating that MCSA yields improved results also for large macromolecular systems.

Synthesis and biological incorporatin of icons into macromolecules for NMR study

International Nuclear Information System (INIS)

Grant, D.M.

1976-02-01

Work has proceeded successfully to synthesize novel 13 C-labeled materials for incorporation into macromolecules. Gram quantities of C-4 labeled uracil have been synthesized and incorporated, by means of a mutant bacterial strain into t-RNA. The t-RNA has been isolated, purified, and carbon-13 T 1 studies have begun. A modern, well equipped biochemistry laboratory has become functional during the present contract period. Good progress has been made on nonenzymatic reactions of pyridoxal-5'-phosphate with selected amino actions. This effort has successfully elucidated many reaction intermediates and products. In addition, 13 C containing haptens have been synthesized and screening tests have now begun on rabbits to verify the specificity of antibodies for two haptens

X-ray crystallography facility for the international space station

International Nuclear Information System (INIS)

McdDonald, William T.; Lewis, Johanna L.; Smith, Craig D.; DeLucas, Lawrence J.

1997-01-01

Directed by NASA's Office of Space Access and Technology (OSAT), the University of Alabama at Birmingham (UAB) Center for Macromolecular Crystallography (CMC) recently completed a Design Feasibility Study for the X-ray Crystallography Facility (XCF) for the International Space Station (ISS). The XCF is a facility for growing macromolecular protein crystals; harvesting, selecting, and mounting sample crystals, and snap-freezing the samples, if necessary; performing x-ray diffraction; and downlinking the diffraction data to the ground. Knowledge of the structure of protein molecules is essential for the development of pharmaceuticals by structure-based drug design techniques. Currently, x-ray diffraction of high quality protein crystals is the only method of determining the structure of these macromolecules. High quality protein crystals have been grown in microgravity onboard the Space Shuttle Orbiter for more than 10 years, but these crystals always have been returned to Earth for x-ray diffraction. The XCF will allow crystal growth, harvesting, mounting, and x-ray diffraction onboard the ISS, maximizing diffraction data quality and timeliness. This paper presents the XCF design concept, describing key feasibility issues for the ISS application and advanced technologies and operational features which resolve those issues. The conclusion is that the XCF design is feasible and can be operational onboard the ISS by early in 2002

Last crystals for the CMS chandelier

CERN Multimedia

2008-01-01

In March, the last crystals for CMS’s electromagnetic calorimeter arrived from Russia and China. Like dedicated jewellers crafting an immense chandelier, the CMS ECAL collaborators are working extremely hard to install all the crystals before the start-up of the LHC. One of the last CMS end-cap crystals, complete with identification bar code. Lead tungstate crystals mounted onto one section of the CMS ECAL end caps. Nearly 10 years after the first production crystal arrived at CERN in September 1998, the very last shipment has arrived. These final crystals will be used to complete the end-caps of the electromagnetic calorimeter (ECAL) at CMS. All in all, there are more than 75,000 crystals in the ECAL. The huge quantity of CMS lead tungstate crystals used in the ECAL corresponds to the highest volume ever produced for a single experiment. The excellent quality of the crystals, both in ter...

Structural properties, crystal quality and growth modes of MOCVD-grown AlN with TMAl pretreatment of sapphire substrate

KAUST Repository

Sun, Haiding; Wu, Feng; Altahtamouni, Talal Mohammed Ahmad; Alfaraj, Nasir; Li, Kun; Detchprohm, Theeradetch; Dupuis, Russell; Li, Xiaohang

2017-01-01

The growth of high quality AlN epitaxial films relies on precise control of the initial growth stages. In this work, we examined the influence of the trimethylaluminum (TMAl) pretreatment of sapphire substrates on the structural properties, crystal quality and growth modes of heteroepitaxial AlN films on (0001) sapphire substrates. Without the pretreatment, the AlN films nucleated on the smooth surface but exhibited mixed crystallographic Al- (N-) polarity, resulting in rough AlN film surfaces. With increasing the pretreatment time from 1 to 5 s, the N-polarity started to be impeded. However, small islands were formed on sapphire surface due to the decompostion of TMAl. As a result, small voids became noticeable at the nucleation layer (NL) because the growth started as quasi three-dimensional (3D) but transformed to 2D mode as the film grew thicker and got coalesced, leading to smoother and Al-polar films. On the other hand, longer pretreatment time of 40 s formed large 3D islands on sapphire, and thus initiated a 3D-growth mode of the AlN film, generating Al-polar AlN nanocolumns with different facets, which resulted into rougher film surfaces. The epitaxial growth modes and their correlation with the AlN film crystal quality under different TMAl pretreatments are also discussed.

Structural properties, crystal quality and growth modes of MOCVD-grown AlN with TMAl pretreatment of sapphire substrate

KAUST Repository

Sun, Haiding

2017-08-08

The growth of high quality AlN epitaxial films relies on precise control of the initial growth stages. In this work, we examined the influence of the trimethylaluminum (TMAl) pretreatment of sapphire substrates on the structural properties, crystal quality and growth modes of heteroepitaxial AlN films on (0001) sapphire substrates. Without the pretreatment, the AlN films nucleated on the smooth surface but exhibited mixed crystallographic Al- (N-) polarity, resulting in rough AlN film surfaces. With increasing the pretreatment time from 1 to 5 s, the N-polarity started to be impeded. However, small islands were formed on sapphire surface due to the decompostion of TMAl. As a result, small voids became noticeable at the nucleation layer (NL) because the growth started as quasi three-dimensional (3D) but transformed to 2D mode as the film grew thicker and got coalesced, leading to smoother and Al-polar films. On the other hand, longer pretreatment time of 40 s formed large 3D islands on sapphire, and thus initiated a 3D-growth mode of the AlN film, generating Al-polar AlN nanocolumns with different facets, which resulted into rougher film surfaces. The epitaxial growth modes and their correlation with the AlN film crystal quality under different TMAl pretreatments are also discussed.

Role of Tamm-Horsfall protein and uromodulin in calcium oxalate crystallization

Directory of Open Access Journals (Sweden)

Carvalho M.

2002-01-01

Full Text Available One of the defenses against nephrolithiasis is provided by macromolecules that modulate the nucleation, growth, aggregation and retention of crystals in the kidneys. The aim of the present study was to determine the behavior of two of these proteins, Tamm-Horsfall and uromodulin, in calcium oxalate crystallization in vitro. We studied a group of 10 male stone formers who had formed at least one kidney stone composed of calcium oxalate. They were classified as having idiopathic nephrolithiasis and had no well-known metabolic risk factors involved in kidney stone pathogenesis. Ten normal men were used as controls, as was a group consisting of five normal women and another consisting of five pregnant women. Crystallization was induced by a fixed supersaturation of calcium oxalate and measured with a Coulter Counter. All findings were confirmed by light and scanning electron microscopy. The number of particulate material deposited from patients with Tamm-Horsfall protein was higher than that of the controls (P<0.001. However, Tamm-Horsfall protein decreased the particle diameter of the stone formers when analyzed by the mode of the volume distribution curve (P<0.002 (5.64 ± 0.55 µm compared to 11.41 ± 0.48 µm of uromodulin; 15.94 ± 3.93 µm and 12.45 ± 0.97 µm of normal men Tamm-Horsfall protein and uromodulin, respectively; 8.17 ± 1.57 µm and 9.82 ± 0.95 µm of normal women Tamm-Horsfall protein and uromodulin, respectively; 12.17 ± 1.41 µm and 12.99 ± 0.51 µm of pregnant Tamm-Horsfall protein and uromodulin, respectively. Uromodulin produced fewer particles than Tamm-Horsfall protein in all groups. Nonetheless, the total volume of the crystals produced by uromodulin was higher than that produced by Tamm-Horsfall protein. Our results indicate a different effect of Tamm-Horsfall protein and uromodulin. This dual behavior suggests different functions. Tamm-Horsfall protein may act on nucleation and inhibit crystal aggregation, while

Permeation enhancing polymers in oral delivery of hydrophilic macromolecules: thiomer/GSH systems.

Science.gov (United States)

Bernkop-Schnürch, A; Kast, C E; Guggi, D

2003-12-05

Thiolated polymers (= thiomers) in combination with reduced glutathione (GSH) were shown to improve the uptake of hydrophilic macromolecules from the GI tract. The mechanism responsible for this permeation enhancing effect seems to be based on the thiol groups of the polymer. These groups inhibit protein tyrosine phosphatase, being involved in the closing process of tight junctions, via a GSH-mediated mechanism. The strong permeation enhancing effect of various thiomer/GSH systems such as poly(acrylic acid)-cysteine/GSH or chitosan-4-thio-butylamidine (chitosan-TBA)/GSH could be shown via permeation studies on freshly excised intestinal mucosa in Ussing-type chambers. Furthermore, the efficacy of the system was also shown in vivo. By utilizing poly(acrylic acid)-cysteine/GSH as carrier matrix, an absolute oral bioavailability for low molecular weight heparin of 19.9 +/- 9.3% and a pharmacological efficacy--calculated on the basis of the areas under the reduction in serum glucose levels of the oral formulation versus subcutaneous (s.c.) injection-for orally given insulin of 7% could be achieved. The incorporation of salmon calcitonin in chitosan-TBA/GSH led on the other hand to a pharmacological efficacy based on the areas under the reduction in plasma calcium levels of the oral thiomer formulation versus intravenous (i.v.) injection of 1.3%. Because of this high efficacy (i), the possibility to combine thiomer/GSH systems with additional low molecular weight permeation enhancers acting in other ways (ii) and minimal toxicological risks as these polymers are not absorbed from the GI tract (iii), thiolated polymers represent a promising novel tool for the oral administration of hydrophilic macromolecules.

A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

Science.gov (United States)

Krishnan, M.

2017-05-01

We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or

Detection of site-specific binding and co-binding of ligands to macromolecules using 19F NMR

International Nuclear Information System (INIS)

Jenkins, B.G.

1991-01-01

Study of ligand-macromolecular interactions by 19 F nuclear magnetic resonance (NMR) spectroscopy affords many opportunities for obtaining molecular biochemical and pharmaceutical information. This is due to the absence of a background fluorine signal, as well as the relatively high sensitivity of 19 F NMR. Use of fluorine-labeled ligands enables one to probe not only binding and co-binding phenomena to macromolecules, but also can provide data on binding constants, stoichiometries, kinetics, and conformational properties of these complexes. Under conditions of slow exchange and macromolecule-induced chemical shifts, multiple 19 F NMR resonances can be observed for free and bound ligands. These shifted resonances are a direct correlate of the concentration of ligand bound in a specific state rather than the global concentrations of bound or free ligand which are usually determined using other techniques such as absorption spectroscopy or equilibrium dialysis. Examples of these interactions are demonstrated both from the literature and from interactions of 5-fluorotryptophan, 5-fluorosalicylic acid, flurbiprofen, and sulindac sulfide with human serum albumin. Other applications of 19 F NMR to study of these interactions in vivo, as well for receptor binding and metabolic tracing of fluorinated drugs and proteins are discussed

Influence of magnetic field on the morphology of the andrographolide crystal from supercritical carbon dioxide extraction crystallization

Science.gov (United States)

Chen, Kexun; Zhang, Xingyuan; Pan, Jian; Zhang, Wencheng; Yong, Ji; Yin, Wenhong

2003-10-01

In this paper, a supercritical fluid extraction-crystallization of andrographolide, a kind of Chinese traditional medicine, was investigated. We have studied the extraction-crystallization process with or without magnet in the extractor, respectively. It was found that the presence of magnetic field is an important factor influencing the quality of the products. SEM images showed that the crystal was slice-like in shape, and many slices reunited together in the absence of magnet. Further research showed that pressure had a certain effect on the morphology of the crystal.

Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

Energy Technology Data Exchange (ETDEWEB)

Dhanaraj, P.V. [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Rajesh, N.P., E-mail: rajeshnp@hotmail.com [Centre for Crystal Growth, SSN College of Engineering, Kalavakkam 603 110 (India); Sundar, J. Kalyana; Natarajan, S. [Department of Physics, Madurai Kamaraj University, Madurai 625 021 (India); Vinitha, G. [Department of Physics, Crescent Engineering College, Chennai 600 048 (India)

2011-09-15

Highlights: {yields} Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. {yields} Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. {yields} The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. {yields} Nicotinium trifluoroacetate is a low dielectric constant material. - Abstract: An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286-1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.

Enhancement of crystal homogeneity of protein crystals under application of an external alternating current electric field

Energy Technology Data Exchange (ETDEWEB)

Koizumi, H.; Uda, S.; Fujiwara, K.; Nozawa, J. [Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577 (Japan); Tachibana, M. [Graduate School of Nanobioscience, Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama, 236-0027 (Japan); Kojima, K. [Department of Education, Yokohama Soei University, 1 Miho-tyou, Midori-ku, Yokohama, 226-0015 (Japan)

2014-10-06

X-ray diffraction rocking-curve measurements were performed on tetragonal hen egg white (HEW) lysozyme crystals grown with and without the application of an external alternating current (AC) electric field. The crystal quality was assessed by the full width at half maximum (FWHM) value for each rocking curve. For two-dimensional maps of the FWHMs measured on the 440 and the 12 12 0 reflection, the crystal homogeneity was improved under application of an external electric field at 1 MHz, compared with that without. In particular, the significant improvement of the crystal homogeneity was observed for the 12 12 0 reflection.

Sensitivity enhancement in NMR of macromolecules by application of optimal control theory

International Nuclear Information System (INIS)

Frueh, Dominique P.; Ito, Takuhiro; Li, J.-S.; Wagner, Gerhard; Glaser, Steffen J.; Khaneja, Navin

2005-01-01

NMR of macromolecules is limited by large transverse relaxation rates. In practice, this results in low efficiency of coherence transfer steps in multidimensional NMR experiments, leading to poor sensitivity and long acquisition times. The efficiency of coherence transfer can be maximized by design of relaxation optimized pulse sequences using tools from optimal control theory. In this paper, we demonstrate that this approach can be adopted for studies of large biological systems, such as the 800 kDa chaperone GroEL. For this system, the 1 H- 15 N coherence transfer module presented here yields an average sensitivity enhancement of 20-25% for cross-correlated relaxation induced polarization transfer (CRIPT) experiments

Time-resolved Laue diffraction from protein crystals: Instrumental considerations

International Nuclear Information System (INIS)

Bilderback, D.H.; Cornell Univ., Ithaca, NY; Moffat, K.; Szebenyi, D.M.E.

1984-01-01

A serious limitation of macromolecular crystallography has been its inability to determine changes in structure on a biochemical time scale of milliseconds or less. Recently, we have shown that X-ray exposures on single crystals of macromolecules may be obtained in the millisecond time range through the use of intense, polychromatic radiation with Δlambda/lambda approx.= 0.2 derived from the Cornell High Energy Synchrotron Source, CHESS. Such radiation falling on a stationary crystal yields a Laue diffraction pattern, in which almost all Laue reflections arise from a unique set of Miller indices and where their intensities are automatically integrated over wavelength. This Laue technique requires wide band pass optics, which may be obtained by a combination of reflection and transmission mirrors, filters or layered synthetic microstructures. Time-resolved macromolecular crystallography may be achieved by several data collection schemes: 'one-shot' recording coupled to a simple streak camera, repetitive sample perturbation coupled to a detector with temporal resolution and repetitive perturbation which uses the synchrotron pulses for stroboscopic triggering and detection. These schemes are appropriate for different time scales, roughly the milli-, micro- and nanosecond regimes. It appears that time-resolved crystallography is entirely feasible, with an ultimate time resolution limited only by the length of a synchrotron light pulse, some 150 ps at CHESS. (orig.)

Imaging Macromolecules with X-ray laser pulses

CERN Multimedia

CERN. Geneva

2017-01-01

The short wavelength of X-rays allows us to resolve atoms, but in practise for biological materials the achievable resolution is limited by the destruction of the sample by the radiation that forms the image.  For over 100 years, the workaround to this problem of radiation damage has been to average signals from repeating copies of the object arranged in a large crystal.  It is now possible to overcome damage limits by using intense X-ray pulses that vaporise the sample, but which are short enough in duration to freeze any motion of the sample on the atomic scale.  With the advent of X-ray FELs we have been able to confirm this principle, and are now applying it to overcoming a major bottleneck for protein crystallography, which is the need for large well-diffracting crystals.  The intense pulses also open up opportunities to help solve the crystallographic phase problem.  In particular we have found that commonly-occurring disordered crystals that are usually not ...

The effect of a slight mis-orientation angle of c-plane sapphire substrate on surface and crystal quality of MOCVD grown GaN thin films

Energy Technology Data Exchange (ETDEWEB)

Kim, Seong-Woo; Suzuki, Toshimasa [Nippon Institute of Technology, 4-1 Gakuendai, Miyashiro, Saitama, 345-8501 (Japan); Aida, Hideo [NAMIKI Precision Jewel Co. Ltd., 3-8-22 Shinden, Adachi-ku, Tokyo, 123-8511 (Japan)

2004-09-01

The effect of a slight mis-orientation of c-plane sapphire substrate on the surface morphology and crystal quality of GaN thin films grown by MOCVD has been investigated. The mis-orientation angle of vicinal c-plane sapphire substrate was changed within the range of 0.00(zero)-1.00(one) degree, and the experimental results were compared with those on just angle (zero degree) c-plane sapphire substrate. The surface morphology and crystal quality were found to be very sensitive to mis-orientation angle. Consequently, the mis-orientation angle was optimized to be 0.15 . (copyright 2004 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Pressure-induced melting of micellar crystal

DEFF Research Database (Denmark)

Mortensen, K.; Schwahn, D.; Janssen, S.

1993-01-01

that pressure improves the solvent quality of water, thus resulting in decomposition of the micelles and consequent melting of the micellar crystal. The combined pressure and temperature dependence reveals that in spite of the apparent increase of order on the 100 angstrom length scale upon increasing......Aqueous solutions of triblock copolymers of poly(ethylene oxide) and poly(propylene oxide) aggregate at elevated temperatures into micelles which for polymer concentrations greater-than-or-equal-to 20% make a hard sphere crystallization to a cubic micellar crystal. Structural studies show...... temperature (decreasing pressure) the overall entropy increases through the inverted micellar crystallization characteristic....

An automatic device for the quality control of large-scale crystal's production

CERN Document Server

Baccaro, S; Castellani, M; Cecilia, A; Dafinei, I; Diemoz, M; Guerra, S; Longo, E; Montecchi, M; Organtini, G; Pellegrini, F

2001-01-01

In 1999, the construction of the electromagnetic calorimeter of the Compact Muon Solenoid (CMS) experiment started. Half of the barrel calorimeter made of 61200 lead tungstate (PWO) crystals will be assembled and tested in the Regional Centre of INFN-ENEA in Rome, Italy. Before assembling, all 30600 PWO crystals will be qualified for scintillation and radiation hardness characteristics by a specially built Automatic Crystal Control System. The measuring techniques for crystal qualification and performances of the automatic system will be discussed in this work. (11 refs).

Development of a methodology for the analysis of the crystalline quality of single crystals

International Nuclear Information System (INIS)

Metairon, Sabrina

1999-01-01

This work aims to establish a methodology for the analysis of the crystalline quality of single crystals. It is shown in the work as from neutron diffraction tridimensional rocking curves it is possible to determine the intrinsic widths at half maximum of the crystalline domains of a crystal, as well as the relative intensities of such domains and the angular distances between them. The construction of contour maps, on the bases of the tridimensional curves, make easier the determination of the above characteristics. For the development of the method, tridimensional rocking curves (I x ω x χ) have been obtained with neutrons from a barium lithium fluoride (BaLiF 3 ) and an aluminum crystal. The intensity I was obtained as rocking curves around the ω axis, with the angle % varying in a convenient interval. The individual (I x ω) and (I x χ) curves, which constitute the tridimensional rocking curve, were fitted by Gaussians and, in continuation of the process, the instrumental broadenings in directions ω and χ were deconvoluted from them. The instrumental broadenings were obtained with perfect type lithium fluoride (LiF) single crystals in the form of rocking curves around the ω and χ axes. Due to an enhanced Lorentz factor in direction χ, the scale in this direction was 'shrunk' by a correction factor in order to make the widths at half maximum of domains equivalent to those found in direction co. The contour map constructed with the deconvoluted rocking curves for BaLiF 3 , showed the existence of a 'proximity effect' that occurs when the widths at half maximum of domains have values near the value of the instrumental broadening. The contour map constructed with the deconvoluted rocking curves for aluminum, showed five domains of the mosaic type. Such domains were characterized concerning the width at half maximum, relative intensity and distance between them. (author)

Two modified versions of the speciation code PHREEQE for modelling macromolecule-proton/cation interaction

International Nuclear Information System (INIS)

Falck, W.E.

1991-01-01

There is a growing need to consider the influence of organic macromolecules on the speciation of ions in natural waters. It is recognized that a simple discrete ligand approach to the binding of protons/cations to organic macromolecules is not appropriate to represent heterogeneities of binding site distributions. A more realistic approach has been incorporated into the speciation code PHREEQE which retains the discrete ligand approach but modifies the binding intensities using an electrostatic (surface complexation) model. To allow for different conformations of natural organic material two alternative concepts have been incorporated: it is assumed that (a) the organic molecules form rigid, impenetrable spheres, and (b) the organic molecules form flat surfaces. The former concept will be more appropriate for molecules in the smaller size range, while the latter will be more representative for larger size molecules or organic surface coatings. The theoretical concept is discussed and the relevant changes to the standard PHREEQE code are explained. The modified codes are called PHREEQEO-RS and PHREEQEO-FS for the rigid-sphere and flat-surface models respectively. Improved output facilities for data transfer to other computers, e.g. the Macintosh, are introduced. Examples where the model is tested against literature data are shown and practical problems are discussed. Appendices contain listings of the modified subroutines GAMMA and PTOT, an example input file and an example command procedure to run the codes on VAX computers

Neutron scattering. Lectures

Energy Technology Data Exchange (ETDEWEB)

Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner [eds.

2010-07-01

The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

Neutron scattering. Lectures

International Nuclear Information System (INIS)

Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

2010-01-01

The following topics are dealt with: Neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

Protein crystal nucleation in pores.

Science.gov (United States)

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

2017-01-16

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.

X-ray diffraction studies on merohedrally twinned Δ1–62NtNBCe1-A crystals of the sodium/bicarbonate cotransporter

International Nuclear Information System (INIS)

Gill, Harindarpal S.; Dutcher, Lauren; Boron, Walter F.; Patel, Samir; Guay-Woodford, Lisa M.

2013-01-01

A truncated mutant missing the first 62 residues of the N-terminal, cytoplasmic domain of the sodium-bicarbonate NBCe1-A cotransporter crystallizes in space group P3 1 with pseudo-P3 1 21 symmetry and a hemihedral twin fraction of 33.0%. Twinned fractions and twin-pair statistics over binned resolutions confirm that the calculated twin fraction is associated with hemihedral twinning and not to non-crystallographic symmetry. NBCe1-A membrane-embedded macromolecules that cotransport sodium and bicarbonate ions across the bilayer serve to maintain acid–base homeostasis throughout the body. Defects result in a number of renal and eye disorders, including type-II renal tubular acidosis and cataracts. Here, crystals of a human truncated mutant of the cytoplasmic N-terminal domain of NBCe1 (Δ1–62NtNBCe1-A) are reported that diffract X-rays to 2.4 Å resolution. The crystal symmetry of Δ1–62NtNBCe1-A is of space group P3 1 with pseudo-P3 1 21 symmetry and it has a hemihedral twin fraction of 33.0%. The crystals may provide insight into the pathogenic processes observed in a subset of patients with truncating and point mutations in the gene encoding NBCe1

Ordered mesoporous polymer-silica hybrid nanoparticles as vehicles for the intracellular controlled release of macromolecules.

Science.gov (United States)

Kim, Tae-Wan; Slowing, Igor I; Chung, Po-Wen; Lin, Victor Shang-Yi

2011-01-25

A two-dimensional hexagonal ordered mesoporous polymer-silica hybrid nanoparticle (PSN) material was synthesized by polymerization of acrylate monomers on the surface of SBA-15 mesoporous silica nanoparticles. The structure of the PSN material was analyzed using a series of different techniques, including transmission electron microscopy, powder X-ray diffraction, and N(2) sorption analysis. These structurally ordered mesoporous polymer-silica hybrid nanoparticles were used for the controlled release of membrane-impermeable macromolecules inside eukaryotic cells. The cellular uptake efficiency and biocompatibility of PSN with human cervical cancer cells (HeLa) were investigated. Our results show that the inhibitory concentration (IC(50)) of PSN is very high (>100 μg/mL per million cells), while the median effective concentration for the uptake (EC(50)) of PSN is low (EC(50) = 4.4 μg/mL), indicating that PSNs are fairly biocompatible and easily up-taken in vitro. A membrane-impermeable macromolecule, 40 kDa FITC-Dextran, was loaded into the mesopores of PSNs at low pH. We demonstrated that the PSN material could indeed serve as a transmembrane carrier for the controlled release of FITC-Dextran at the pH level inside live HeLa cells. We believe that further developments of this PSN material will lead to a new generation of nanodevices for intracellular controlled delivery applications.

Low index contrast heterostructure photonic crystal cavities with high quality factors and vertical radiation coupling

Science.gov (United States)

Ge, Xiaochen; Minkov, Momchil; Fan, Shanhui; Li, Xiuling; Zhou, Weidong

2018-04-01

We report here design and experimental demonstration of heterostructure photonic crystal cavities resonating near the Γ point with simultaneous strong lateral confinement and highly directional vertical radiation patterns. The lateral confinement is provided by a mode gap originating from a gradual modulation of the hole radii. High quality factor resonance is realized with a low index contrast between silicon nitride and quartz. The near surface-normal directional emission is preserved when the size of the core region is scaled down. The influence of the cavity size parameters on the resonant modes is also investigated theoretically and experimentally.

Influence of impurities on the surface morphology of the TIBr crystal semiconductor

International Nuclear Information System (INIS)

Santos, Robinson A. dos; Silva, Julio B. Rodrigues da; Martins, Joao F.T.; Ferraz, Caue de M.; Costa, Fabio E. da; Mesquita, Carlos H. de; Hamada, Margarida M.; Gennari, Roseli F.

2013-01-01

The impurity effect in the surface morphology quality of TlBr crystals was evaluated, aiming a future application of these crystals as room temperature radiation semiconductor detectors. The crystals were purified and grown by the Repeated Bridgman technique. Systematic measurements were carried out for determining the stoichiometry, structure orientation, surface morphology and impurity of the crystal. A significant difference in the crystals impurity concentration was observed for almost all impurities, compared to those found in the raw material. The crystals wafer grown twice showed a surface roughness and grains which may be due to the presence of impurities on the surface, while those obtained with crystals grown three times presented a more uniform surface: even though, a smaller roughness was still observed. It was demonstrated that the impurities affect strongly the surface morphology quality of crystals. (author)

N-hydroxysuccinimide-hippuran ester: application for radiolabeling of macromolecules

International Nuclear Information System (INIS)

Chervu, L.R.; Chun, S.B.; Bhargava, K.K.

1987-01-01

A method for synthesis of N-hydroxysuccinimide ester of radioactive orthoiodohippurric acid (OIH-OSU) is developed in order to label macromolecules including antibodies. The OIH-OSU is prepared in 87% yield by reacting molar equivalents of o-iodohippuric acid, N:N-di-succinimidyl carbonate and pyridine in DMF overnight. The active labeled ester is obtained using high specific activity OIH in a similar synthetic protocol. Conjugation of OIH-OSU to human serum albumin is effected by incubating the reactants for half an hour at room temperature followed by purification of the labeled protein on a Sephadex G-100 column with activity yield of 44.3%. Organ distribution for the labeled albumin preparation and the commercial iodinated human serum albumin (RISA) in mice and rats is similar. As expected urinary excretion of radioactivity for the labeled preparation is greater than that of RISA reflecting the rapid urinary clearance of the OIH moiety released into the bloodstream. Hippuran labeling method offers a mild and rapid protocol for radioiodine labeling of proteins and antibodies for application in diagnostic nuclear medicine procedures

Rate Measurements of the Hydrolysis of Complex Organic Macromolecules in Cold Aqueous Solutions: Implications for Prebiotic Chemistry on the Early Earth and Titan

Science.gov (United States)

Neish, C. D.; Somogyi, Á.; Imanaka, H .; Lunine, J. I.; Smith, M. A.

2008-04-01

Organic macromolecules (``complex tholins'') were synthesized from a 0.95 N2 / 0.05 CH4 atmosphere in a high-voltage AC flow discharge reactor. When placed in liquid water, specific water soluble compounds in the macromolecules demonstrated Arrhenius type first order kinetics between 273 and 313 K and produced oxygenated organic species with activation energies in the range of ~60 +/- 10 kJ mol-1. These reactions displayed half lives between 0.3 and 17 days at 273 K. Oxygen incorporation into such materials-a necessary step toward the formation of biological molecules-is therefore fast compared to processes that occur on geologic timescales, which include the freezing of impact melt pools and possible cryovolcanic sites on Saturn's organic-rich moon Titan.

Defined PEG smears as an alternative approach to enhance the search for crystallization conditions and crystal-quality improvement in reduced screens

Energy Technology Data Exchange (ETDEWEB)

Chaikuad, Apirat, E-mail: apirat.chaikuad@sgc.ox.ac.uk [University of Oxford, Old Road Campus Research Building, Roosevelt Drive, Headington, Oxford OX3 7DQ (United Kingdom); Knapp, Stefan [University of Oxford, Old Road Campus Research Building, Roosevelt Drive, Headington, Oxford OX3 7DQ (United Kingdom); Johann Wolfgang Goethe-University, Building N240 Room 3.03, Max-von-Laue-Strasse 9, 60438 Frankfurt am Main (Germany); Delft, Frank von, E-mail: apirat.chaikuad@sgc.ox.ac.uk [University of Oxford, Old Road Campus Research Building, Roosevelt Drive, Headington, Oxford OX3 7DQ (United Kingdom)

2015-07-28

An alternative strategy for PEG sampling is suggested through the use of four newly defined PEG smears to enhance chemical space in reduced screens with a benefit towards protein crystallization. The quest for an optimal limited set of effective crystallization conditions remains a challenge in macromolecular crystallography, an issue that is complicated by the large number of chemicals which have been deemed to be suitable for promoting crystal growth. The lack of rational approaches towards the selection of successful chemical space and representative combinations has led to significant overlapping conditions, which are currently present in a multitude of commercially available crystallization screens. Here, an alternative approach to the sampling of widely used PEG precipitants is suggested through the use of PEG smears, which are mixtures of different PEGs with a requirement of either neutral or cooperatively positive effects of each component on crystal growth. Four newly defined smears were classified by molecular-weight groups and enabled the preservation of specific properties related to different polymer sizes. These smears not only allowed a wide coverage of properties of these polymers, but also reduced PEG variables, enabling greater sampling of other parameters such as buffers and additives. The efficiency of the smear-based screens was evaluated on more than 220 diverse recombinant human proteins, which overall revealed a good initial crystallization success rate of nearly 50%. In addition, in several cases successful crystallizations were only obtained using PEG smears, while various commercial screens failed to yield crystals. The defined smears therefore offer an alternative approach towards PEG sampling, which will benefit the design of crystallization screens sampling a wide chemical space of this key precipitant.

Nanoparticles Doped, Photorefractive Liquid Crystals

National Research Council Canada - National Science Library

Kaczmarek, Malgosia

2005-01-01

...: The main objectives of this exploratory, short project will concern the study of the quality of liquid crystal cells with diluted suspensions of ferroelectric nanoparticles and their photorefractive properties...

Long charged macromolecule in an entropic trap with rough surfaces.

Science.gov (United States)

Mamasakhlisov, Yevgeni Sh; Hayryan, Shura; Hu, Chin-Kun

2012-11-01

The kinetics of the flux of a charged macromolecular solution through an environment of changing geometry with wide and constricted regions is investigated analytically. A model device consisting of alternating deep and shallow slits known as an "entropic trap" is used to represent the environment. The flux is supported by the external electrostatic field. The "wormlike chain" model is used for the macromolecule (dsDNA in the present study). The chain entropy in both the deep and the shallow slits, the work by the electric field, and the energy of the elastic bending of the chain are taken into account accurately. Based on the calculated free energy, the kinetics and the scaling behavior of the chain escaping from the entropic trap are studied. We find that the escape process occurs in two kinetic stages with different time scales and discuss the possible influence of the surface roughness. The scope of the accuracy of the proposed model is discussed.

Crystallization, optimization and preliminary X-ray characterization of a metal-dependent PI-PLC from Streptomyces antibioticus

International Nuclear Information System (INIS)

Jackson, Michael R.; Selby, Thomas L.

2012-01-01

Crystallization and diffraction analysis of a Ca 2+ -dependent PI-PLC from Streptomyces is reported. Optimization of crystals was completed using a drop-pinning technique and heavy-atom soaks to achieve high-quality diffraction to 1.23 Å. A recombinant metal-dependent phosphatidylinositol-specific phospholipase C (PI-PLC) from Streptomyces antibioticus has been crystallized by the hanging-drop method with and without heavy metals. The native crystals belonged to the orthorhombic space group P222, with unit-cell parameters a = 41.26, b = 51.86, c = 154.78 Å. The X-ray diffraction results showed significant differences in the crystal quality of samples soaked with heavy atoms. Additionally, drop pinning, which increases the surface area of the drops, was also used to improve crystal growth and quality. The combination of heavy-metal soaks and drop pinning was found to be critical for producing high-quality crystals that diffracted to 1.23 Å resolution

Properties of lead tungstate crystals for high-energy physics

CERN Document Server

Ippolitov, M S; Burachas, S; Ikonnikov, V; Kuriakin, A; Lebedev, V; Makov, I; Man'ko, V; Nikulin, S P; Nyanin, A; Saveliev, Yu; Tamulaitis, G; Tsvetkov, A A; Vasilev, A; Vinogradov, Yu I

2004-01-01

Technology for the mass production of high-quality PbWO//4 (PWO) scintillating crystals is described. Scintillators produced from PWO crystals are intented for the ALICE CERN heavy ion experiment. Light yield, emission and decay time spectra as well as optical transmission of about 3600 crystals (dimensions 22 multiplied by 22 multiplied by 180 mm**3) were measured. Beam-test results of the ALICE PHOS prototype obtained with such PWO crystals are presented.

Protein crystallization with microseed matrix screening: application to human germline antibody Fabs

International Nuclear Information System (INIS)

Obmolova, Galina; Malia, Thomas J.; Teplyakov, Alexey; Sweet, Raymond W.; Gilliland, Gary L.

2014-01-01

The power of microseed matrix screening is demonstrated in the crystallization of a panel of antibody Fab fragments. The crystallization of 16 human antibody Fab fragments constructed from all pairs of four different heavy chains and four different light chains was enabled by employing microseed matrix screening (MMS). In initial screening, diffraction-quality crystals were obtained for only three Fabs, while many Fabs produced hits that required optimization. Application of MMS, using the initial screens and/or refinement screens, resulted in diffraction-quality crystals of these Fabs. Five Fabs that failed to give hits in the initial screen were crystallized by cross-seeding MMS followed by MMS optimization. The crystallization protocols and strategies that resulted in structure determination of all 16 Fabs are presented. These results illustrate the power of MMS and provide a basis for developing future strategies for macromolecular crystallization

A Proposed Model for Protein Crystal Nucleation and Growth

Science.gov (United States)

Pusey, Marc; Curreri, Peter A. (Technical Monitor)

2002-01-01

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined

NATO Advanced Research Workshop on Nuclear Magnetic Resonance of Paramagnetic Macromolecules

CERN Document Server

1995-01-01

Since A. Kowalsky's first report of the spectrum of cytochrome c in 1965, interest in the detection, assignment and interpretation of paramagnetic molecules has surged, especially in the last decade. Two classes of systems have played a key role in the development of the field: heme proteins and iron-sulfur proteins. These two systems are unique in many respects, one of which is that they contain well-defined chromophores, each of which can be studied in detail outside the protein matrix. They are the most successfully studied macromolecules, and the first eight and last six of the seventeen contributions to this book deal with heme and/or iron-sulfur proteins. The middle three chapters survey the progress on, and significant promise of, more difficult systems which do not possess a chromophore, but which have nevertheless yielded remarkable insights into their structure.

Liquid crystalline order in polymers

CERN Document Server

Blumstein, Alexandre

1978-01-01

Liquid Crystalline Order in Polymers examines the topic of liquid crystalline order in systems containing rigid synthetic macromolecular chains. Each chapter of the book provides a review of one important area of the field. Chapter 1 discusses scattering in polymer systems with liquid crystalline order. It also introduces the field of liquid crystals. Chapter 2 treats the origin of liquid crystalline order in macromolecules by describing the in-depth study of conformation of such macromolecules in their unassociated state. The chapters that follow describe successively the liquid crystalli

Optimization of the Critical Parameters of the Spherical Agglomeration Crystallization Method by the Application of the Quality by Design Approach

Directory of Open Access Journals (Sweden)

Orsolya Gyulai

2018-04-01

Full Text Available This research work presents the use of the Quality by Design (QbD concept for optimization of the spherical agglomeration crystallization method in the case of the active agent, ambroxol hydrochloride (AMB HCl. AMB HCl spherical crystals were formulated by the spherical agglomeration method, which was applied as an antisolvent technique. Spherical crystals have good flowing properties, which makes the direct compression tableting method applicable. This means that the amount of additives used can be reduced and smaller tablets can be formed. For the risk assessment, LeanQbD Software was used. According to its results, four independent variables (mixing type and time, dT (temperature difference between solvent and antisolvent, and composition (solvent/antisolvent volume ratio and three dependent variables (mean particle size, aspect ratio, and roundness were selected. Based on these, a 2–3 mixed-level factorial design was constructed, crystallization was accomplished, and the results were evaluated using Statistica for Windows 13 program. Product assay was performed and it was revealed that improvements in the mean particle size (from ~13 to ~200 µm, roundness (from ~2.4 to ~1.5, aspect ratio (from ~1.7 to ~1.4, and flow properties were observed while polymorphic transitions were avoided.

Large and high-quality single-crystal growth of cuprate superconductor Bi-2223 using the traveling-solvent floating-zone (TSFZ) method

Science.gov (United States)

Adachi, Shintaro; Usui, Tomohiro; Kosugi, Kenta; Sasaki, Nae; Sato, Kentaro; Fujita, Masaki; Yamada, Kazuyoshi; Fujii, Takenori; Watanabe, Takao

In high superconducting transition temperature (high-Tc) cuprates, it is empirically known that Tc increases on increasing the number of CuO2 planes in a unit cell n from 1 to 3. Bi-family cuprates are ideal for investigating the microscopic mechanism involved. However, it is difficult to grow tri-layered Bi-2223, probably owing to its narrow crystallization field. Here, we report improved crystal growth of this compound using the TSFZ method under conditions slightly different from those in an earlier report [J. Cryst. Growth 223, 175 (2001)]. A Bi-rich feed-rod composition of Bi2.2Sr1.9Ca2Cu3Oy and a slightly oxygen-reduced atmosphere (mixed gas flow of O2 (10%) and Ar (90%)) were adopted for the crystal growth. In addition, to increase the supersaturation of the melts, we applied a large temperature gradient along the solid-liquid interface by shielding a high-angle light beam using Al foil around the quartz tube. In this way, we succeeded in preparing large (2 × 2 × 0 . 05 mm3) and high-quality (almost 100% pure) Bi-2223 single crystals. Hirosaki University Grant for Exploratory Research by Young Scientists and Newly-appointed Scientists.

Optimization of the Critical Parameters of the Spherical Agglomeration Crystallization Method by the Application of the Quality by Design Approach.

Science.gov (United States)

Gyulai, Orsolya; Kovács, Anita; Sovány, Tamás; Csóka, Ildikó; Aigner, Zoltán

2018-04-20

This research work presents the use of the Quality by Design (QbD) concept for optimization of the spherical agglomeration crystallization method in the case of the active agent, ambroxol hydrochloride (AMB HCl). AMB HCl spherical crystals were formulated by the spherical agglomeration method, which was applied as an antisolvent technique. Spherical crystals have good flowing properties, which makes the direct compression tableting method applicable. This means that the amount of additives used can be reduced and smaller tablets can be formed. For the risk assessment, LeanQbD Software was used. According to its results, four independent variables (mixing type and time, dT (temperature difference between solvent and antisolvent), and composition (solvent/antisolvent volume ratio)) and three dependent variables (mean particle size, aspect ratio, and roundness) were selected. Based on these, a 2⁻3 mixed-level factorial design was constructed, crystallization was accomplished, and the results were evaluated using Statistica for Windows 13 program. Product assay was performed and it was revealed that improvements in the mean particle size (from ~13 to ~200 µm), roundness (from ~2.4 to ~1.5), aspect ratio (from ~1.7 to ~1.4), and flow properties were observed while polymorphic transitions were avoided.

Neutron scattering. Lectures

International Nuclear Information System (INIS)

Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

2012-01-01

The following topics are dealt with: Neutron scattering in contemporary research, neutron sources, symmetry of crystals, diffraction, nanostructures investigated by small-angle neutron scattering, the structure of macromolecules, spin dependent and magnetic scattering, structural analysis, neutron reflectometry, magnetic nanostructures, inelastic scattering, strongly correlated electrons, dynamics of macromolecules, applications of neutron scattering. (HSI)

Role of crystal orientation on chemical mechanical polishing of single crystal copper

Energy Technology Data Exchange (ETDEWEB)

Zhu, Aibin, E-mail: abzhu@mail.xjtu.edu.cn; He, Dayong; Luo, Wencheng; Liu, Yangyang

2016-11-15

Highlights: • The role of crystal orientation in cooper CMP by quasi-continuum was studied. • The atom displacement diagrams were obtained and analyzed. • The stress distribution diagrams and load-displacement curves were analyzed. • This research is helpful to revealing the material removal mechanism of CMP. - Abstract: The material removal mechanism of single crystal copper in chemical mechanical polishing (CMP) has not been intensively investigated. And the role of crystal orientation in CMP of single crystal cooper is not quite clear yet. Quasi-continuum method was adopted in this paper to simulate the process of nano-particles grinding on single crystal copper in CMP process. Three different crystal orientations, i.e. x[100]y[001], x[001]y[110] and x[–211]y[111], were chosen for analysis. The atom displacement diagrams, stress distribution diagrams and load-displacement curves were obtained. After analyzing the deformation mechanism, residual stress of the work piece material and cutting force, results showed that, the crystal orientation of work piece has great influence on the deformation characteristics and surface quality of work piece during polishing. In the A(001)[100] orientation, the residual stress distribution after polishing is deeper, and the stress is larger than that in the B(110)[001] and C(111)[–211] orientations. And the average tangential cutting force in the A(001)[100] orientation is much larger than those in the other two crystal orientation. This research is helpful to revealing the material removal mechanism of CMP process.

Automating the application of smart materials for protein crystallization.

Science.gov (United States)

Khurshid, Sahir; Govada, Lata; El-Sharif, Hazim F; Reddy, Subrayal M; Chayen, Naomi E

2015-03-01

The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as `smart materials') for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials.

Coupled Photonic Crystal Cavity Array Laser

DEFF Research Database (Denmark)

Schubert, Martin

in the quadratic lattice. Processing techniques are developed and optimized in order fabricate photonic crystals membranes in gallium arsenide with quantum dots as gain medium and in indium gallium arsenide phosphide with quantum wells as gain medium. Several key issues in process to ensure good quality....... The results are in good agreement with standard coupled mode theory. Also a novel type of photonic crystal structure is proposed called lambda shifted cavity which is a twodimensional photonic crystal laser analog of a VCSEL laser. Detailed measurements of the coupled modes in the photonic crystals...... with quantum dots are carried out. In agreement with a simple gain model the structures do not show stimulated emission. The spectral splitting due to the coupling between single cavities as well as arrays of cavities is studied theoretically and experimentally. Lasing is observed for photonic crystal cavity...

Terahertz gas sensing based on a simple one-dimensional photonic crystal cavity with high-quality factors

DEFF Research Database (Denmark)

Chen, T.; Han, Z. H.; Liu, J. J.

2014-01-01

We report in this paper terahertz gas sensing using a simple 1D photonic crystal cavity. The resonant frequencies of the cavity depend linearly on the refractive index of the ambient gas, which can then be measured by monitoring the resonance shift. Although quite easy to manufacture, this cavity...... exhibits high-quality factors, facilitating the realization of high sensitivity in the gas refractive index sensing. In our experiment, 6% of the change of hydrogen concentration in air, which corresponds to a refractive index change of 1.4 x 10(-5), can be steadily detected, and different gas samples can...

Crystallization and preliminary X-ray crystallographic analysis of β-galactosidase from Kluyveromyces lactis

International Nuclear Information System (INIS)

Pereira-Rodríguez, Ángel; Fernández-Leiro, Rafael; González Siso, M. Isabel; Cerdán, M. Esperanza; Becerra, Manuel; Sanz-Aparicio, Julia

2010-01-01

β-Galactosidase from K. lactis has been expressed in S. cerevisiae, purified by affinity chromatography and crystallized in its native form. β-Galactosidase from Kluyveromyces lactis catalyses the hydrolysis of the β-galactosidic linkage in lactose. Owing to its many industrial applications, the biotechnological potential of this enzyme is substantial. This protein has been expressed in yeast and purified for crystallization trials. However, optimization of the best crystallization conditions yielded crystals with poor diffraction quality that precluded further structural studies. Finally, the crystal quality was improved using the streak-seeding technique and a complete diffraction data set was collected at 2.8 Å resolution

Synthesis of macromolecules by the epithelial surfaces of Schistosoma mansoni: an autoradiographic study

International Nuclear Information System (INIS)

Wilson, R.A.; Barnes, P.E.

1979-01-01

The use of tritiated leucine as a marker for protein synthesis and of tritiated glucosamine as a marker for polysaccharide/glycoprotein synthesis, is described. Adult worms were pulse-labelled by incubation in medium containing the substrate. Labelled worms were then incubated in chase medium, without labelled substrate, for varying lengths of time before fixation. The distribution of label which had been incorporated into macromolecules in the worm tissues, was examined by light and electron microscope autoradiography. The results suggest that the bulk of worm secretions have a rapid turnover with a half-life of a few hours. Against this background of rapid mass secretion, a slower process of membrane turnover would be difficult to detect and quantitatively small. (author)

Copper co-crystallization and divalent metal salts cross-influence effect: A new optimization tool improving crystal morphology and diffraction quality

Czech Academy of Sciences Publication Activity Database

Kutá-Smatanová, Ivana

2007-01-01

Roč. 306, č. 2 (2007), s. 383-389 ISSN 0022-0248 Institutional research plan: CEZ:AV0Z60870520 Keywords : crystal * crystallization Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.950, year: 2007

Beginner’s guide to flux crystal growth

CERN Document Server

Tachibana, Makoto

2017-01-01

This book introduces the principles and techniques of crystal growth by the flux method, which is arguably the most useful way to obtain millimeter- to centimeter-sized single crystals for physical research. As it is possible to find an appropriate solvent (“flux”) for nearly all inorganic materials, the flux method can be applied to the growth of many crystals ranging from transition metal oxides to intermetallic compounds. Both important principles and experimental procedures are described in a clear and accessible manner. Practical advice on various aspects of the experiment, which is not readily available in the literature, will assist the beginning graduate students in setting up the lab and conducting successful crystal growth. The mechanisms of crystal growth at an elementary level are also provided to better understand the techniques and to help in assessing the quality of the crystals. The book also contains many photographs of beautiful crystals with important physical properties of current inte...

Crystallization of carbohydrate oxidase from Microdochium nivale

International Nuclear Information System (INIS)

Dušková, Jarmila; Dohnálek, Jan; Skálová, Tereza; Østergaard, Lars Henrik; Fuglsang, Claus Crone; Kolenko, Petr; Štěpánková, Andrea; Hašek, Jindřich

2009-01-01

Industrially used carbohydrate oxidase was successfully crystallized in several forms, diffraction data suitable for structural analysis were collected. Microdochium nivale carbohydrate oxidase was produced by heterologous recombinant expression in Aspergillus oryzae, purified and crystallized. The enzyme crystallizes with varying crystal morphologies depending on the crystallization conditions. Several different crystal forms were obtained using the hanging-drop vapour-diffusion method, two of which were used for diffraction measurements. Hexagon-shaped crystals (form I) diffracted to 2.66 Å resolution, with unit-cell parameters a = b = 55.7, c = 610.4 Å and apparent space group P6 2 22. Analysis of the data quality showed almost perfect twinning of the crystals. Attempts to solve the structure by molecular replacement did not give satisfactory results. Recently, clusters of rod-shaped crystals (form II) were grown in a solution containing PEG MME 550. These crystals belonged to the monoclinic system C2, with unit-cell parameters a = 132.9, b = 56.6, c = 86.5 Å, β = 95.7°. Data sets were collected to a resolution of 2.4 Å. The structure was solved by the molecular-replacement method. Model refinement is currently in progress

Hydrothermal Growth of Polyscale Crystals

Science.gov (United States)

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.

Direct imaging electron microscopy (EM) methods in modern structural biology: overview and comparison with X-ray crystallography and single-particle cryo-EM reconstruction in the studies of large macromolecules.

Science.gov (United States)

Miyaguchi, Katsuyuki

2014-10-01

Determining the structure of macromolecules is important for understanding their function. The fine structure of large macromolecules is currently studied primarily by X-ray crystallography and single-particle cryo-electron microscopy (EM) reconstruction. Before the development of these techniques, macromolecular structure was often examined by negative-staining, rotary-shadowing and freeze-etching EM, which are categorised here as 'direct imaging EM methods'. In this review, the results are summarised by each of the above techniques and compared with respect to four macromolecules: the ryanodine receptor, cadherin, rhodopsin and the ribosome-translocon complex (RTC). The results of structural analysis of the ryanodine receptor and cadherin are consistent between each technique. The results obtained for rhodopsin vary to some extent within each technique and between the different techniques. Finally, the results for RTC are inconsistent between direct imaging EM and other analytical techniques, especially with respect to the space within RTC, the reasons for which are discussed. Then, the role of direct imaging EM methods in modern structural biology is discussed. Direct imaging methods should support and verify the results obtained by other analytical methods capable of solving three-dimensional molecular architecture, and they should still be used as a primary tool for studying macromolecule structure in vivo. © 2014 Société Française des Microscopies and Société de Biologie Cellulaire de France. Published by John Wiley & Sons Ltd.

Large-surface-area diamond (111) crystal plates for applications in high-heat-load wavefront-preserving X-ray crystal optics.

Science.gov (United States)

Stoupin, Stanislav; Antipov, Sergey; Butler, James E; Kolyadin, Alexander V; Katrusha, Andrey

2016-09-01

Fabrication and results of high-resolution X-ray topography characterization of diamond single-crystal plates with large surface area (10 mm × 10 mm) and (111) crystal surface orientation for applications in high-heat-load X-ray crystal optics are reported. The plates were fabricated by laser-cutting of the (111) facets of diamond crystals grown using high-pressure high-temperature methods. The intrinsic crystal quality of a selected 3 mm × 7 mm crystal region of one of the studied samples was found to be suitable for applications in wavefront-preserving high-heat-load crystal optics. Wavefront characterization was performed using sequential X-ray diffraction topography in the pseudo plane wave configuration and data analysis using rocking-curve topography. The variations of the rocking-curve width and peak position measured with a spatial resolution of 13 µm × 13 µm over the selected region were found to be less than 1 µrad.

The chain length of lignan macromolecule from flaxseed hulls is determined by the incorporation of coumaric acid glucosides and ferulic acid glucosides

NARCIS (Netherlands)

Struijs, K.; Vincken, J.P.; Doeswijk, T.G.; Voragen, A.G.J.; Gruppen, H.

2009-01-01

Lignan macromolecule from flaxseed hulls is composed of secoisolariciresinol diglucoside (SDG) and herbacetin diglucoside (HDG) moieties ester-linked by 3-hydroxy-3-methylglutaric acid (HMGA), and of p-coumaric acid glucoside (CouAG) and ferulic acid glucoside (FeAG) moieties ester-linked directly

Twinning processes in Cu-Al-Ni martensite single crystals investigated by neutron single crystal diffraction method

International Nuclear Information System (INIS)

Molnar, P.; Sittner, P.; Novak, V.; Lukas, P.

2008-01-01

A neutron single crystal diffraction method for inspecting the quality of martensite single crystals is introduced. True interface-free martensite single crystals are indispensable for, e.g. measurement of elastic constants of phases by ultrasonic techniques. The neutron diffraction method was used to detect and distinguish the presence of individual lattice correspondence variants of the 2H orthorhombic martensite phase in Cu-Al-Ni as well as to follow the activity of twinning processes during the deformation test on the martensite variant single crystals. When preparing the martensite single variant prism-shaped crystals by compression deformation method, typically a small fraction of second unwanted martensitic variant (compound twin) remains in the prism samples. Due to the very low stress (∼1 MPa) for the compound twinning in many shape memory alloys, it is quite difficult not only to deplete the martensite prisms of all internal interfaces but mainly to keep them in the martensite single variant state for a long time needed for further investigations

An Integrated Approach to III-Nitride Crystal Growth and Wafering

National Research Council Canada - National Science Library

Sitar, Z

2001-01-01

Centimeter size, transparent AlN crystals were grown at NCSU. TEM and XRT examination performed at ASU and SUNYSB revealed that the crystals are of highest quality and do not contain any visible extended defects...

Crystallization of protein–ligand complexes

International Nuclear Information System (INIS)

Hassell, Anne M.; An, Gang; Bledsoe, Randy K.; Bynum, Jane M.; Carter, H. Luke III; Deng, Su-Jun J.; Gampe, Robert T.; Grisard, Tamara E.; Madauss, Kevin P.; Nolte, Robert T.; Rocque, Warren J.; Wang, Liping; Weaver, Kurt L.; Williams, Shawn P.; Wisely, G. Bruce; Xu, Robert; Shewchuk, Lisa M.

2007-01-01

Methods presented for growing protein–ligand complexes fall into the categories of co-expression of the protein with the ligands of interest, use of the ligands during protein purification, cocrystallization and soaking the ligands into existing crystals. Obtaining diffraction-quality crystals has long been a bottleneck in solving the three-dimensional structures of proteins. Often proteins may be stabilized when they are complexed with a substrate, nucleic acid, cofactor or small molecule. These ligands, on the other hand, have the potential to induce significant conformational changes to the protein and ab initio screening may be required to find a new crystal form. This paper presents an overview of strategies in the following areas for obtaining crystals of protein–ligand complexes: (i) co-expression of the protein with the ligands of interest, (ii) use of the ligands during protein purification, (iii) cocrystallization and (iv) soaks

Molecular nucleation mechanisms and control strategies for crystal polymorph selection

Science.gov (United States)

van Driessche, Alexander E. S.; van Gerven, Nani; Bomans, Paul H. H.; Joosten, Rick R. M.; Friedrich, Heiner; Gil-Carton, David; Sommerdijk, Nico A. J. M.; Sleutel, Mike

2018-04-01

The formation of condensed (compacted) protein phases is associated with a wide range of human disorders, such as eye cataracts, amyotrophic lateral sclerosis, sickle cell anaemia and Alzheimer’s disease. However, condensed protein phases have their uses: as crystals, they are harnessed by structural biologists to elucidate protein structures, or are used as delivery vehicles for pharmaceutical applications. The physiochemical properties of crystals can vary substantially between different forms or structures (‘polymorphs’) of the same macromolecule, and dictate their usability in a scientific or industrial context. To gain control over an emerging polymorph, one needs a molecular-level understanding of the pathways that lead to the various macroscopic states and of the mechanisms that govern pathway selection. However, it is still not clear how the embryonic seeds of a macromolecular phase are formed, or how these nuclei affect polymorph selection. Here we use time-resolved cryo-transmission electron microscopy to image the nucleation of crystals of the protein glucose isomerase, and to uncover at molecular resolution the nucleation pathways that lead to two crystalline states and one gelled state. We show that polymorph selection takes place at the earliest stages of structure formation and is based on specific building blocks for each space group. Moreover, we demonstrate control over the system by selectively forming desired polymorphs through site-directed mutagenesis, specifically tuning intermolecular bonding or gel seeding. Our results differ from the present picture of protein nucleation, in that we do not identify a metastable dense liquid as the precursor to the crystalline state. Rather, we observe nucleation events that are driven by oriented attachments between subcritical clusters that already exhibit a degree of crystallinity. These insights suggest ways of controlling macromolecular phase transitions, aiding the development of protein

DKDP crystal growth controlled by cooling rate

Science.gov (United States)

Xie, Xiaoyi; Qi, Hongji; Shao, Jianda

2017-08-01

The performance of deuterated potassium dihydrogen phosphate (DKDP) crystal directly affects beam quality, energy and conversion efficiency in the Inertial Confinement Fusion（ICF）facility, which is related with the initial saturation temperature of solution and the real-time supersaturation during the crystal growth. However, traditional method to measure the saturation temperature is neither efficient nor accurate enough. Besides, the supersaturation is often controlled by experience, which yields the higher error and leads to the instability during the crystal growth. In this paper, DKDP solution with 78% deuteration concentration is crystallized in different temperatures. We study the relation between solubility and temperature of DKDP and fit a theoretical curve with a parabola model. With the model, the measurement of saturation temperature is simplified and the control precision of the cooling rate is improved during the crystal growth, which is beneficial for optimizing the crystal growth process.

Dramatic improvement of crystal quality for low-­temperature-grown rabbit muscle aldolase

OpenAIRE

Park, HaJeung; Rangarajan, Erumbi S.; Sygusch, Jurgen; Izard, Tina

2010-01-01

Rabbit muscle aldolase (RMA) was crystallized in complex with the low-complexity domain (LC4) of sorting nexin 9. Monoclinic crystals were obtained at room temperature that displayed large mosaicity and poor X-ray diffraction. However, orthorhombic RMA–LC4 crystals grown at 277 K under similar conditions exhibited low mosaicity, allowing data collection to 2.2 Å Bragg spacing and structure determination.

Distribution volumes of macromolecules in human ovarian and endometrial cancers--effects of extracellular matrix structure.

Science.gov (United States)

Haslene-Hox, Hanne; Oveland, Eystein; Woie, Kathrine; Salvesen, Helga B; Tenstad, Olav; Wiig, Helge

2015-01-01

Elements of the extracellular matrix (ECM), notably collagen and glucosaminoglycans, will restrict part of the space available for soluble macromolecules simply because the molecules cannot occupy the same space. This phenomenon may influence macromolecular drug uptake. To study the influence of steric and charge effects of the ECM on the distribution volumes of macromolecules in human healthy and malignant gynecologic tissues we used as probes 15 abundant plasma proteins quantified by high-resolution mass spectrometry. The available distribution volume (VA) of albumin was increased in ovarian carcinoma compared with healthy ovarian tissue. Furthermore, VA of plasma proteins between 40 and 190 kDa decreased with size for endometrial carcinoma and healthy ovarian tissue, but was independent of molecular weight for the ovarian carcinomas. An effect of charge on distribution volume was only found in healthy ovaries, which had lower hydration and high collagen content, indicating that a condensed interstitium increases the influence of negative charges. A number of earlier suggested biomarker candidates were detected in increased amounts in malignant tissue, e.g., stathmin and spindlin-1, showing that interstitial fluid, even when unfractionated, can be a valuable source for tissue-specific proteins. We demonstrate that the distribution of abundant plasma proteins in the interstitium can be elucidated by mass spectrometry methods and depends markedly on hydration and ECM structure. Our data can be used in modeling of drug uptake, and give indications on ECM components to be targeted to increase the uptake of macromolecular substances. Copyright © 2015 the American Physiological Society.

Oscillations of the crystal-melt interface caused by harmonic oscillations of the pulling rate for the cylindrical phase of crystal growth

Science.gov (United States)

Vasil'ev, M. G.

2017-02-01

A technique for measuring the crystal cross-sectional area with a weight sensor based on the difference between its readings at the extreme rod positions in the stepwise and continuous modes of modulation of the pulling rate is proposed for the low-thermal gradient Czochralski method. A change in the crystallization rate at harmonic oscillations of the pulling rate is estimated with the aim of conserving the quality of the growing crystal for this measurement method.

Development of high quality large laser crystals for a CPA laser system

International Nuclear Information System (INIS)

Sugiyama, Akira; Fukuyama, Hiroyasu; Nagai, Shiro; Katsurayama, Masamichi; Anzai, Yutaka

2000-01-01

Uniform doped concentration along growth direction of Nd 3+ :YAG crystal with 110 mm length was successfully grown by the Czochralski furnace with a double crucible. The fluctuation of doped concentration was less than 4%, nearly 1/4 of the Nd 3+ :YAG crystal grown by a conventional method. We also demonstrated direct bonding without the use of adhesive materials on Ti:sapphire laser crystals with a bonding surface dimension of 12 mm x 6 mm. The bonding surfaces were treated with chemical processes to clean up and to create a hydrophilic layer for hydrogen bonding in an atmospheric furnace. Successive heat treatment in a vacuum furnace transformed the hydrogen bonding into the direct bonding. From the observation by a transmission electron microscope (Hitachi: HF-2000), atomic level bonding was succeeded in the bonding surface. The performance of the bonded crystal was also tested by laser oscillation with a second harmonics of Q-switched Nd 3+ :YAG at a 20 Hz repetition rate. In comparison with a normal laser crystal, there were no difference in output power or spatial profile in an input condition of 30 mJ. The optical damaged threshold on the bonding surface was estimated over 660 MW/cm 2 . (author)

Analysis of an industrial production suspension of Bacillus lentus subtilisin crystals by powder diffraction: a powerful quality-control tool.

Science.gov (United States)

Frankaer, Christian G; Moroz, Olga V; Turkenburg, Johan P; Aspmo, Stein I; Thymark, Majbritt; Friis, Esben P; Stahl, Kenny; Nielsen, Jens E; Wilson, Keith S; Harris, Pernille

2014-04-01

A microcrystalline suspension of Bacillus lentus subtilisin (Savinase) produced during industrial large-scale production was analysed by X-ray powder diffraction (XRPD) and X-ray single-crystal diffraction (MX). XRPD established that the bulk microcrystal sample representative of the entire production suspension corresponded to space group P212121, with unit-cell parameters a = 47.65, b = 62.43, c = 75.74 Å, equivalent to those for a known orthorhombic crystal form (PDB entry 1ndq). MX using synchrotron beamlines at the Diamond Light Source with beam dimensions of 20 × 20 µm was subsequently used to study the largest crystals present in the suspension, with diffraction data being collected from two single crystals (∼20 × 20 × 60 µm) to resolutions of 1.40 and 1.57 Å, respectively. Both structures also belonged to space group P2(1)2(1)2(1), but were quite distinct from the dominant form identified by XRPD, with unit-cell parameters a = 53.04, b = 57.55, c = 71.37 Å and a = 52.72, b = 57.13, c = 65.86 Å, respectively, and refined to R = 10.8% and Rfree = 15.5% and to R = 14.1% and Rfree = 18.0%, respectively. They are also different from any of the forms previously reported in the PDB. A controlled crystallization experiment with a highly purified Savinase sample allowed the growth of single crystals of the form identified by XRPD; their structure was solved and refined to a resolution of 1.17 Å with an R of 9.2% and an Rfree of 11.8%. Thus, there are at least three polymorphs present in the production suspension, albeit with the 1ndq-like microcrystals predominating. It is shown how the two techniques can provide invaluable and complementary information for such a production suspension and it is proposed that XRPD provides an excellent quality-control tool for such suspensions.

Electronic method for autofluorography of macromolecules on two-d matrices

International Nuclear Information System (INIS)

Case, A.L.; Davidson, J.B.

1983-01-01

A method for detecting, localizing, and quantifying macromolecules contained in a two-dimensional matrix is provided which employs a television-based position sensitive detection system. A molecule-containing matrix may be produced by conventional means to produce spots of light at the molecule locations which are detected by the television system. The matrix , such as a gel matrix, is exposed to an electronic camera system including an image-intensifier and secondary electron conduction camera capable of light integrating times of many minutes. A light image stored in the form of a charge image on the camera tube target is scanned by conventional television techniques, digitized, and stored in a digital memory. Intensity of any point on the image may be determined from the number at the memory address of the point. The entire image may be displayed on a television monitor for inspection and photographing or individual spots may be analyzed through selected readout of the memory locations. Compared to conventional film exposure methods, the exposure time may be reduced 100-1000 times

Recent developments of high quality synthetic diamond single crystals for synchrotron X-ray monochromators

CERN Document Server

Freund, A K; Sellschop, J P Friedel; Burns, R C; Rebak, M

2001-01-01

For several years now, the ESRF, the University of the Witwatersrand and Messrs. De Beers Industrial Diamonds (Pty) Ltd. through their Diamond Research Laboratory, have pursued a development programme to assess and improve the quality of synthetic diamonds. Recently, in an effort to study the influence of nitrogen impurities on the defect structure, X-ray excited optical luminescence and spatially resolved double-crystal diffractometry were employed as new techniques. The correlation between nitrogen impurities and the raw defect structure was clearly visible. It was confirmed that concentration variations are related to lattice imperfections, where tilts are much more important than lattice constant variations. High reflectivity was observed and quite large zones of a sample bigger than 1 cm sup 2 showed to be perfect to within better than 0.5 arcsec.

Physico-mechanical and dissolution behaviours of ibuprofen crystals crystallized in the presence of various additives

Directory of Open Access Journals (Sweden)

A Nokhodchi

2010-06-01

Full Text Available "n  "n Background and the purpose of the study: The success of any direct-tableting procedure is strongly affected by the quality of the crystals used in the process. Ibuprofen is a poorly compactible drug with a high tendency for capping. In order to use ibuprofen in direct compression formulations, physico-mechanical properties of ibuprofen should be improved considerably. The aim of the present investigation was to employ crystallization techniques in order to improve the physico-mechanical properties of ibuprofen for direct compression. "nMethods:The experimental methods involved the preparation of ibuprofen crystals by solvent change technique. Ibuprofen was dissolved in ethanol and crystallized out with water in the absence or presence of various hydrophilic additives (PEG 6000, 8000, Brij 98P and polyvinyl alcohol 22000, PVA 22000 with different concentrations. The physico-mechanical properties of the ibuprofen crystals were studied in terms of flow, density, tensile strength and dissolution behaviour. Morphology of ibuprofen crystals was studied by scanning electron microscopic (SEM. Solid state of the recrystallized particles was also investigated using differential scanning calorimeter (DSC and FT-IR. "nResults:Ibuprofen samples crystallized in the presence of PEG 6000 and 8000 and PVA showed remarkable increase in the tensile strengths of the directly compressed tablets, while some other additives, i.e. Brij 98P did not produce improved ibuprofen crystals. Ibuprofen powders made from particles obtained in the presence of PVA and Brij 98P showed similar dissolution profiles to the commercial ibuprofen particles. DSC and FT-IR results ruled out any significant interaction between ibuprofen and additives except for the samples crystallized in the presence of PEG 8000. Conclusion:The crystal habit of ibuprofen can be altered successfully by the crystallization technique which was developed in this study. The crystals developed in the

Heteroplasmon hybridization in stacked complementary plasmo-photonic crystals.

Science.gov (United States)

Iwanaga, Masanobu; Choi, Bongseok

2015-03-11

We constructed plasmo-photonic crystals in which efficient light-trapping, plasmonic resonances couple with photonic guided resonances of large density of states and high-quality factor. We have numerically and experimentally shown that heteroplasmon hybrid modes emerge in stacked complementary (SC) plasmo-photonic crystals. The resonant electromagnetic-field distributions evidence that the two hybrid modes originate from two different heteroplasmons, exhibiting a large energy splitting of 300 meV. We further revealed a series of plasmo-photonic modes in the SC crystals.

An Overview of Hardware for Protein Crystallization in a Magnetic Field

Directory of Open Access Journals (Sweden)

Er-Kai Yan

2016-11-01

Full Text Available Protein crystallization under a magnetic field is an interesting research topic because a magnetic field may provide a special environment to acquire improved quality protein crystals. Because high-quality protein crystals are very useful in high-resolution structure determination using diffraction techniques (X-ray, neutron, and electron diffraction, research using magnetic fields in protein crystallization has attracted substantial interest; some studies have been performed in the past two decades. In this research field, the hardware is especially essential for successful studies because the environment is special and the design and utilization of the research apparatus in such an environment requires special considerations related to the magnetic field. This paper reviews the hardware for protein crystallization (including the magnet systems and the apparatus designed for use in a magnetic field and progress in this area. Future prospects in this field will also be discussed.

Automating the application of smart materials for protein crystallization

International Nuclear Information System (INIS)

Khurshid, Sahir; Govada, Lata; EL-Sharif, Hazim F.; Reddy, Subrayal M.; Chayen, Naomi E.

2015-01-01

The first semi-liquid, non-protein nucleating agent for automated protein crystallization trials is described. This ‘smart material’ is demonstrated to induce crystal growth and will provide a simple, cost-effective tool for scientists in academia and industry. The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as ‘smart materials’) for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials

Semiconducting icosahedral boron arsenide crystal growth for neutron detection

Science.gov (United States)

Whiteley, C. E.; Zhang, Y.; Gong, Y.; Bakalova, S.; Mayo, A.; Edgar, J. H.; Kuball, M.

2011-03-01

Semiconducting icosahedral boron arsenide, B12As2, is an excellent candidate for neutron detectors, thermoelectric converters, and radioisotope batteries, for which high quality single crystals are required. Thus, the present study was undertaken to grow B12As2 crystals by precipitation from metal solutions (nickel) saturated with elemental boron (or B12As2 powder) and arsenic in a sealed quartz ampoule. B12As2 crystals of 10-15 mm were produced when a homogeneous mixture of the three elements was held at 1150 °C for 48-72 h and slowly cooled (3.5 °C/h). The crystals varied in color and transparency from black and opaque to clear and transparent. X-ray topography (XRT), and elemental analysis by energy dispersive X-ray spectroscopy (EDS) confirmed that the crystals had the expected rhombohedral structure and chemical stoichiometry. The concentrations of residual impurities (nickel, carbon, etc.) were low, as measured by Raman spectroscopy and secondary ion mass spectrometry (SIMS). Additionally, low etch-pit densities (4.4×107 cm-2) were observed after etching in molten KOH at 500 °C. Thus, the flux growth method is viable for growing large, high-quality B12As2 crystals.

Quantifying quality in DNA self-assembly

Science.gov (United States)

Wagenbauer, Klaus F.; Wachauf, Christian H.; Dietz, Hendrik

2014-01-01

Molecular self-assembly with DNA is an attractive route for building nanoscale devices. The development of sophisticated and precise objects with this technique requires detailed experimental feedback on the structure and composition of assembled objects. Here we report a sensitive assay for the quality of assembly. The method relies on measuring the content of unpaired DNA bases in self-assembled DNA objects using a fluorescent de-Bruijn probe for three-base ‘codons’, which enables a comparison with the designed content of unpaired DNA. We use the assay to measure the quality of assembly of several multilayer DNA origami objects and illustrate the use of the assay for the rational refinement of assembly protocols. Our data suggests that large and complex objects like multilayer DNA origami can be made with high strand integration quality up to 99%. Beyond DNA nanotechnology, we speculate that the ability to discriminate unpaired from paired nucleic acids in the same macromolecule may also be useful for analysing cellular nucleic acids. PMID:24751596

Thermal neutron detectors based on complex oxide crystals

CERN Document Server

Ryzhikov, V; Volkov, V; Chernikov, V; Zelenskaya, O

2002-01-01

The ways of improvement of spectrometric quality of CWO and GSO crystals have been investigated with the aim of their application in thermal neutron detectors based on radiation capture reactions. The efficiency of the neutron detection by these crystals was measured, and the obtained data were compared with the results for sup 6 LiI(Tl) crystals. It is shown that the use of complex oxide crystals and neutron-absorption filters for spectrometry of thermal and resonance neutrons could be a promising method in combination with computer data processing. Numerical calculations are reported for spectra of gamma-quanta due to radiation capture of the neutrons. To compensate for the gamma-background lines, we used a crystal pair of heavy complex oxides with different sensitivity to neutrons.

Design of Double PG Crystal Neutron Diffractometer

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; El-Mesiry, M.S.; Fathallah, M.

2011-01-01

The design of a diffractometer containing two pyrolytic graphite (PG) crystals to select monochromatic neutrons in the range of wavelengths longer than 0.26 nm is given. The first crystal is high oriented pyrolytic graphite (HOPG) set at glancing angle to reflect monochromatic neutrons with a selected wavelength. The second is a low quality PG crystal filter, set at take-off-angle such that, it transmits the selected monochromatic neutrons and rejects the higher order contaminations accompanying the first order reflection. It was shown that, 2 mm thick of PG crystal having 0.30 FWHM on mosaic spread are the optimum parameters of monochromator PG crystal. While the optimum thickness and mosaic spread of the PG crystal filter were selected to have low contamination factor of higher order reflections. The optimum parameters of the PG filter crystal were calculated using the computer package Graphite recently developed in our laboratory. Calculation shows that, 3 cm thick PG filter (20 on mosaic spread) is sufficient to almost eliminate the higher order contaminations accompanying the main monochromatic neutrons with

Crystallization and preliminary X-ray analysis of the ATPase domain of the σ(54)-dependent transcription activator NtrC1 from Aquifex aeolicus bound to the ATP analog ADP-BeFx.

Science.gov (United States)

Sysoeva, Tatyana A; Yennawar, Neela; Allaire, Marc; Nixon, B Tracy

2013-12-01

One way that bacteria regulate the transcription of specific genes to adapt to environmental challenges is to use different σ factors that direct the RNA polymerase holoenzyme to distinct promoters. Unlike σ(70) RNA polymerase (RNAP), σ(54) RNAP is unable to initiate transcription without an activator: enhancer-binding protein (EBP). All EBPs contain one ATPase domain that belongs to the family of ATPases associated with various cellular activities (AAA+ ATPases). AAA+ ATPases use the energy of ATP hydrolysis to remodel different target macromolecules to perform distinct functions. These mechanochemical enzymes are known to form ring-shaped oligomers whose conformations strongly depend upon nucleotide status. Here, the crystallization of the AAA+ ATPase domain of an EBP from Aquifex aeolicus, NtrC1, in the presence of the non-hydrolyzable ATP analog ADP-BeFx is reported. X-ray diffraction data were collected from two crystals from two different protein fractions of the NtrC1 ATPase domain. Previously, this domain was co-crystallized with ADP and ATP, but the latter crystals were grown from the Walker B substitution variant E239A. Therefore, the new data sets are the first for a wild-type EBP ATPase domain co-crystallized with an ATP analog and they reveal a new crystal form. The resulting structure(s) will shed light on the mechanism of EBP-type transcription activators.

Detached phenomenon: Its effect on the crystal quality of Ga{sub (1−x)}In{sub x}Sb bulk crystal grown by the VDS technique

Energy Technology Data Exchange (ETDEWEB)

Gadkari, Dattatray, E-mail: db.gadkari@gmail.com [Department of Physics, Mithibai College, Mumbai 400056 (India)

2013-05-15

Vertical directional solidification (VDS) technique is used on the combined growth principals of the conventional methods since 1994, which leads to the detached growth. For evaluation of the detached growth, five bulk ingots of indium doped gallium–antimonide GaSb:In (In = 0.5, 0.25, 0.15) have been grown – without the seed, without contact to the ampoule wall, without coating and without external pressure. The gap is attributed to compensate the differential thermal dilatation that is grown with the reduced diameter than the diameter of the ampoule. VDS experiments have been proved that the sum of the contact angle and growth angle is large enough to allow detachment without any additional pressure difference under the melt to offset hydrostatic pressure. A meniscus forms at the bottom of the melt, the capillarity effect establishes due to which spontaneous gap could be created by the melt free surface, thus no thermal shear stress and thermo-mechanical stresses at the interface. Detached grown bulk GaSb:In crystals showed superior crystal quality with the highest physical properties and mobility than the crystals grown ever. The axial and radial composition profile of the grown GaSb:In ingots showed variation ≤10%. From the conical region, dislocation density decreases in the growth direction and reaches less than 10{sup 3} cm{sup −2}. - Highlights: ► Detachment: without seed, without ampoule contact, without coating, without external pressure. ► Detached ingot growth samples showed the highest physical properties and the carrier mobility. ► Initial to final transition: in detached growth, dislocations decreases and less than 10{sup 3} cm{sup −2}. ► Detached samples: Raman spectrum shows only TO phonon (110) direction of single orientation. ► Detached ingot: FTIR shows highest transmissions % but decreases on increase doping in samples.

SAXS measurements of crystallization in Me PEEK

International Nuclear Information System (INIS)

Barberato, C.; Kellerman, G.; Craievich, A.F.; Torriani, I.L.

1997-01-01

Full text. Preliminary small-angle x-ray scattering (SAXS) measurements on a variety of methyl-substituted poly(aryl ether ether ketone) (Me PEEK) samples have been performed at the D11AA-SAXS beam line of the Brazilian National Synchrotron Light Laboratory (LNLS).Me PEEK is an industrially important thermoplastic material exhibiting crystallization upon annealing at temperatures between 175 and 200 deg C. Differential Scanning Calorimetry (DSC) measurements (Handa Y.P., Roovers, J., Wang, F., Macromolecules 27(19), 551-5516 (1994)) indicate that the presence of supercritical fluids during thermal treatment can have dramatic effects on the melting behavior of Me PEEK when compared to similar data for materials annealed in air. These observations have been made for samples demonstrating no significant differences in the extent of crystallinity suggesting that it is the nature of the crystallites that is affected by the presence of additives during the thermal treatment. In this preliminary study, scattering profiles for three Me PEEK samples (as received, thermally treated in air and thermally treated with supercritical 0.85 CO 2 +C H 3 O H gas) are obtained. The data are analyzed to provide some measure of the variation in crystallite structure between the thermally treated samples. Scattering data obtained in the very small-angle region on the same samples at the High Brilliance Beamline (ID2/BM4) experiments performed by Olivier Diat and M.A. Singh, Dec. 11996) of the European Synchrotron Radiation Facility (ESRF) is combined with the Brazilian National Laboratory on Synchrotron Light (LNLS) data to provide information over 3 decades of scattering angle. This work is part of a larger study of the use of supercritical fluids to control the level and morphology of crystallization in these materials. (author)

A statistical model of macromolecules dynamics for Fluorescence Correlation Spectroscopy data analysis

Directory of Open Access Journals (Sweden)

Dmitri Koroliouk

2016-08-01

Full Text Available In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for the mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on a simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular, we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters evaluated by this new mathematical model on simulated data show good estimation accuracy, in comparison with the prior parameters used in the simulations. Furthermore, when analyzing the data for the mix of particles with different diffusion coefficient, the proposed model parameters  (regression and  (square variance of the stochastic component have a good discriminative ability for the molar fraction determination.  In this paper, we propose a new mathematical model to describe the mechanisms of biological macromolecules interactions. Our model consists of a discrete stationary random sequence given by a solution of difference stochastic equation, characterized by a drift predictive component and by a diffusion term. The relative statistical estimations are very simple and effective, promising to be a good tool for mathematical description of collective biological reactions. This paper presents the mathematical model and its verification on simulated data set, obtained on the basis of the well-known Stokes-Einsteinmodel. In particular we considered several mix of particles of different diffusion coefficient, respectively: D1=10 mm2/sec and D2=100 mm2/sec. The parameters

Effect of vitamin A deficiency on permeability of the small intestinal mucosa for macromolecules in adult rats

International Nuclear Information System (INIS)

Gmoshinskii, I.V.; Khvylya, S.I.; Kon', I.Ya.

1987-01-01

The authors study the effect of experimental vitamin A deficiency on absorption of macromolecules of hen's ovalbumin in the intestine. An electron-microscopic study of permeability of small intestine enterocytes for particles of colloidal lanthanum hydroxide La(OH) 3 was carried out at the same time. The concentration of unsplit hen's ovalbumin in the blood of the rats used in the experiment was determined by competitive radioimmunoassay. Samples of serum were incubated with indicator doses of 125 I-OA. Radioactivity of the precipitates was measured

Crystal and molecular simulation of high-performance polymers.

Science.gov (United States)

Colquhoun, H M; Williams, D J

2000-03-01

Single-crystal X-ray analyses of oligomeric models for high-performance aromatic polymers, interfaced to computer-based molecular modeling and diffraction simulation, have enabled the determination of a range of previously unknown polymer crystal structures from X-ray powder data. Materials which have been successfully analyzed using this approach include aromatic polyesters, polyetherketones, polythioetherketones, polyphenylenes, and polycarboranes. Pure macrocyclic homologues of noncrystalline polyethersulfones afford high-quality single crystals-even at very large ring sizes-and have provided the first examples of a "protein crystallographic" approach to the structures of conventionally amorphous synthetic polymers.

CCDC 1416891: Experimental Crystal Structure Determination : Methyl-triphenyl-germanium

KAUST Repository

Bernatowicz, Piotr

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1408042: Experimental Crystal Structure Determination : 6,13-dimesitylpentacene

KAUST Repository

Shi, Xueliang

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Future application of Czochralski crystal pulling for silicon

Science.gov (United States)

Matlcok, J. H.

1985-08-01

Czochralski (Cz) crystal pulling has been the predominant method used for preparing silicon single crystal for the past twenty years. The fundamental technology used has changed little. However, great strides have been made in learning how to make the crystals bigger and of better quality at ever increasing productivity rates. Currently charge sizes of 50 kg of polycrystal silicon are being used for production and crystals up to ten inches in diameter have been grown without major difficulty. The largest material actually being processed in silicon wafer form is 150 mm (6 inches) in diameter. Growing of crystals in a magnetic field has proved to be particularly useful for microscopic impurity control. Major developments in past years on equipment for Cz crystal pulling have included the automatic growth control of the diameter as well as the starting core of the crystal, the use of magnetic fields and around the crystal puller to supress convection, various recharging schemes for dopant control and the use of continuous liquid feed in the crystal puller. The latter, while far from being a reliable production process, is ideal in concept for major improvement in Cz crystal pulling. The Czochralski process will maintain its dominance of silicon crystal production for many years.

Far-field coupling in nanobeam photonic crystal cavities

Energy Technology Data Exchange (ETDEWEB)

Rousseau, Ian, E-mail: ian.rousseau@epfl.ch; Sánchez-Arribas, Irene; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas [Institute of Physics, École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

2016-05-16

We optimized the far-field emission pattern of one-dimensional photonic crystal nanobeams by modulating the nanobeam width, forming a sidewall Bragg cross-grating far-field coupler. By setting the period of the cross-grating to twice the photonic crystal period, we showed using three-dimensional finite-difference time-domain simulations that the intensity extracted to the far-field could be improved by more than three orders of magnitude compared to the unmodified ideal cavity geometry. We then experimentally studied the evolution of the quality factor and far-field intensity as a function of cross-grating coupler amplitude. High quality factor (>4000) blue (λ = 455 nm) nanobeam photonic crystals were fabricated out of GaN thin films on silicon incorporating a single InGaN quantum well gain medium. Micro-photoluminescence spectroscopy of sets of twelve identical nanobeams revealed a nine-fold average increase in integrated far-field emission intensity and no change in average quality factor for the optimized structure compared to the unmodulated reference. These results are useful for research environments and future nanophotonic light-emitting applications where vertical in- and out-coupling of light to nanocavities is required.

The Biophysics Microgravity Initiative

Science.gov (United States)

Gorti, S.

2016-01-01

Biophysical microgravity research on the International Space Station using biological materials has been ongoing for several decades. The well-documented substantive effects of long duration microgravity include the facilitation of the assembly of biological macromolecules into large structures, e.g., formation of large protein crystals under micro-gravity. NASA is invested not only in understanding the possible physical mechanisms of crystal growth, but also promoting two flight investigations to determine the influence of µ-gravity on protein crystal quality. In addition to crystal growth, flight investigations to determine the effects of shear on nucleation and subsequent formation of complex structures (e.g., crystals, fibrils, etc.) are also supported. It is now considered that long duration microgravity research aboard the ISS could also make possible the formation of large complex biological and biomimetic materials. Investigations of various materials undergoing complex structure formation in microgravity will not only strengthen NASA science programs, but may also provide invaluable insight towards the construction of large complex tissues, organs, or biomimetic materials on Earth.

Lessons from a Stone Farm

Science.gov (United States)

Kavanagh, John P.; Rao, P. Nagaraj

2007-04-01

The stone farm is a system for measuring macroscopic stone growth of 12 calcium stones simultaneously. It is based on mixed suspension, mixed product removal continuous crystallization principles and the stones are grown continuously for about 500 hours or more. The growth of the stones follows a surface area dependent pattern and the growth rate constants are very similar irrespective of whether the stating materials are fragments of human stone or pieces of marble chip. Increasing citrate from 2mM to 6mM caused a significant growth inhibition which persisted in the presence of urinary macromolecules. Phytate was a very effective inhibitor (about 50% at sub-μM concentrations) but the effective concentration was increased by an order of magnitude in the presence of urinary macromolecules. The effective concentration for inhibition in a crystallization assay was a further two orders of magnitude higher. Urinary macromolecules or almost whole urine were also strongly inhibitory although neither human serum albumin nor bovine mucin had any great effect. The relationship between the size distribution of crystals in suspension and the stone enlargement rate suggests that the primary enlargement mechanism for these in vitro stones is through aggregation. The stone farm is a powerful tool with which to study crystallization inhibitors in a new light. Some differences between inhibition of crystallization and inhibition of stone growth have emerged and we have obtained quantitative evidence on the mechanism of stone enlargement in vitro. Our findings suggest that the interface between crystals in suspension and the stone surface is the key to controlling stone enlargement.

Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C61-butyric acid methyl ester

OpenAIRE

Lazzerini, GM; Paterno, GM; Tregnago, G; Treat, N; Stingelin, N; Yacoot, A; Cacialli, F

2016-01-01

We report high-resolution, traceable atomic force microscopymeasurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8???nm), was used to measure the cr...

Traceable atomic force microscopy of high-quality solvent-free crystals of [6,6]-phenyl-C-61-butyric acid methyl ester

OpenAIRE

Lazzerini, G. M.; Paterno, G. M.; Tregnago, G.; Treat, N.; Stingelin, N.; Yacoot, A.; Cacialli, F.

2016-01-01

We report high-resolution, traceable atomic force microscopymeasurements of high-quality, solvent-free single crystals of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). These were grown by drop-casting PCBM solutions onto the spectrosil substrates and by removing the residual solvent in a vacuum. A home-built atomic force microscope featuring a plane mirror differential optical interferometer, fiber-fed from a frequency-stabilized laser (emitting at 632.8 nm), was used to measure the crys...

Preparation, definition and stabilisation of an inorganic sol by an organic macromolecule: case of an aluminium hydroxide colloid; Preparation, definition et stabilisation par une macromolecule organique d'un sol mineral: cas d'un colloide d'hydroxyde d'aluminium

Energy Technology Data Exchange (ETDEWEB)

Hurbin-Faucon, A [Commissariat a l' Energie Atomique, Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France)

1966-07-01

An attempt has been made in this work to define an aluminium colloid which is resistant as a high ionic force and to analyse, in the case of this system, the possibilities. and the limits of certain techniques used in the physical chemistry of colloids. The aluminium colloid is obtained by peptization of an aluminium hydroxide precipitate. The physical characterisation of the micelle is effected using the light scattering method which makes it possible to define the colloid from the point of view of size and shape. An interesting characteristic, arising from the low refractive index of the colloid studied, has led us to use not only the general MIE methods but also the methods normally used in macro-molecular chemistry; these latter involve fewer hypotheses and thus make it possible to carry out a more complete analysis of the sol. Since the aluminium hydroxide colloid is sensitive to a high ionic force, we have begun to study the possibility of making it more stable by means of a macromolecule: gelatin. After characterizing this macromolecule by means of potentiometric and light scattering measurements, we have shown the existence of a chemical interaction which occurs when aluminium hydroxide is brought into contact with gelatin; this interaction leads to the production of an inorganic-organic entity which is stable when the ionic force increases. We have established some of the characteristics of the complex thus formed, in particular the pH range of the solution necessary for its formation, its stability. in the presence of electrolytes and some hypotheses concerning its size and shape, Finally we have tried to define the influence of. the molecular weight and the respective dimensions of each constituent on the formation of the complex and thus on the stabilization. (author) [French] Dans cette etude nous avons essaye de definir un colloide d'aluminium resistant a une force ionique elevee et tente, a propos de ce systeme, d'analyser les possibilites et les

Macrodefect-free, large, and thick GaN bulk crystals for high-quality 2–6 in. GaN substrates by hydride vapor phase epitaxy with hardness control

Science.gov (United States)

Fujikura, Hajime; Konno, Taichiro; Suzuki, Takayuki; Kitamura, Toshio; Fujimoto, Tetsuji; Yoshida, Takehiro

2018-06-01

On the basis of a novel crystal hardness control, we successfully realized macrodefect-free, large (2–6 in.) and thick +c-oriented GaN bulk crystals by hydride vapor phase epitaxy. Without the hardness control, the introduction of macrodefects including inversion domains and/or basal-plane dislocations seemed to be indispensable to avoid crystal fracture in GaN growth with millimeter thickness. However, the presence of these macrodefects tended to limit the applicability of the GaN substrate to practical devices. The present technology markedly increased the GaN crystal hardness from below 20 to 22 GPa, thus increasing the available growth thickness from below 1 mm to over 6 mm even without macrodefect introduction. The 2 and 4 in. GaN wafers fabricated from these crystals had extremely low dislocation densities in the low- to mid-105 cm‑2 range and low off-angle variations (2 in.: <0.1° 4 in.: ∼0.2°). The realization of such high-quality 6 in. wafers is also expected.

Microvillus-Specific Protein Tyrosine Phosphatase SAP-1 Plays a Role in Regulating the Intestinal Paracellular Transport of Macromolecules.

Science.gov (United States)

Mori, Shingo; Kamei, Noriyasu; Murata, Yoji; Takayama, Kozo; Matozaki, Takashi; Takeda-Morishita, Mariko

2017-09-01

The stomach cancer-associated protein tyrosine phosphatase 1 (SAP-1) is a receptor-type protein tyrosine phosphatase that is specifically expressed on the apical membrane of the intestinal epithelium. SAP-1 is known to maintain the balance of phosphorylation of proteins together with protein kinases; however, its biological function and impact on pharmacokinetics in the intestine remain unclear. The present study, therefore, aimed at clarifying the relationship between SAP-1 and the intestinal absorption behaviors of typical transporter substrates and macromolecules. The endogenous levels of glucose and total cholesterol in the blood were similar between wild-type and SAP-1-deficient mice (Sap1 -/- ), suggesting no contribution of SAP-1 to biogenic influx. Moreover, in vitro transport study with everted ileal sacs demonstrated that there was no difference in the absorption of breast cancer resistance protein, P-glycoprotein, and peptide transporter substrates between both mice. However, absorptive clearance of macromolecular model dextrans (FD-4 and FD-10) in Sap1 -/- mice was significantly higher than that in wild-type mice, and this was confirmed by the trend of increased FD-4 absorption from colonic loops of Sap1 -/- mice. Therefore, the results of this study suggest the partial contribution of SAP-1 to the regulated transport of hydrophilic macromolecules through paracellular tight junctions. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Synthesis of naturally-derived macromolecules through simplified electrochemically mediated ATRP

Directory of Open Access Journals (Sweden)

Paweł Chmielarz

2017-11-01

Full Text Available The flavonoid-based macroinitiator was received for the first time by the transesterification reaction of quercetin with 2-bromoisobutyryl bromide. In accordance with the “grafting from” strategy, a naturally-occurring star-like polymer with a polar 3,3',4',5,6-pentahydroxyflavone core and hydrophobic poly(tert-butyl acrylate (PtBA side arms was synthesized via a simplified electrochemically mediated ATRP (seATRP, utilizing only 78 ppm by weight (wt of a catalytic CuII complex. To demonstrate the possibility of temporal control, seATRP was carried out utilizing a multiple-step potential electrolysis. The rate of the polymerizations was well-controlled by applying optimal potential values during preparative electrolysis to prevent the possibility of intermolecular coupling of the growing polymer arms. This appears to be the first report using on-demand seATRP for the synthesis of QC-(PtBA-Br5 pseudo-star polymers. The naturally-derived macromolecules showed narrow MWDs (Đ = 1.08–1.11. 1H NMR spectral results confirm the formation of quercetin-based polymers. These new flavonoid-based polymer materials may find applications as antifouling coatings and drug delivery systems.

The Stanford Automated Mounter: Enabling High-Throughput Protein Crystal Screening at SSRL

International Nuclear Information System (INIS)

Smith, C.A.; Cohen, A.E.

2009-01-01

The macromolecular crystallography experiment lends itself perfectly to high-throughput technologies. The initial steps including the expression, purification, and crystallization of protein crystals, along with some of the later steps involving data processing and structure determination have all been automated to the point where some of the last remaining bottlenecks in the process have been crystal mounting, crystal screening, and data collection. At the Stanford Synchrotron Radiation Laboratory, a National User Facility that provides extremely brilliant X-ray photon beams for use in materials science, environmental science, and structural biology research, the incorporation of advanced robotics has enabled crystals to be screened in a true high-throughput fashion, thus dramatically accelerating the final steps. Up to 288 frozen crystals can be mounted by the beamline robot (the Stanford Auto-Mounting System) and screened for diffraction quality in a matter of hours without intervention. The best quality crystals can then be remounted for the collection of complete X-ray diffraction data sets. Furthermore, the entire screening and data collection experiment can be controlled from the experimenter's home laboratory by means of advanced software tools that enable network-based control of the highly automated beamlines.

About Small Streams and Shiny Rocks: Macromolecular Crystal Growth in Microfluidics

Science.gov (United States)

vanderWoerd, Mark; Ferree, Darren; Spearing, Scott; Monaco, Lisa; Molho, Josh; Spaid, Michael; Brasseur, Mike; Curreri, Peter A. (Technical Monitor)

2002-01-01

We are developing a novel technique with which we have grown diffraction quality protein crystals in very small volumes, utilizing chip-based, microfluidic ("LabChip") technology. With this technology volumes smaller than achievable with any laboratory pipette can be dispensed with high accuracy. We have performed a feasibility study in which we crystallized several proteins with the aid of a LabChip device. The protein crystals are of excellent quality as shown by X-ray diffraction. The advantages of this new technology include improved accuracy of dispensing for small volumes, complete mixing of solution constituents without bubble formation, highly repeatable recipe and growth condition replication, and easy automation of the method. We have designed a first LabChip device specifically for protein crystallization in batch mode and can reliably dispense and mix from a range of solution constituents. We are currently testing this design. Upon completion additional crystallization techniques, such as vapor diffusion and liquid-liquid diffusion will be accommodated. Macromolecular crystallization using microfluidic technology is envisioned as a fully automated system, which will use the 'tele-science' concept of remote operation and will be developed into a research facility aboard the International Space Station.

Quality improvement of CdZnTe single crystal by ultrasound processing

Science.gov (United States)

Lisiansky, M.; Berner, A.; Korchnoy, V.

2017-06-01

Intrinsic defects and contaminations removal from the undoped p-type Cd0.96Zn0.04Te single crystals has been achieved by the ultrasound vibration processing at the room temperature. Surface analysis based on Auger Electron Spectroscopy, Energy Dispersive Spectroscopy, and Scanning Electron Spectroscopy shows a significant reconstruction of the crystal surface after processing, namely, the appearance of numerous "volcano craters" and triangle-shaped defects with a typical size of 0.2-5.0 μm. Elemental analysis of these defects shows that they are Te inclusions emerged on the surface. The regular crystal surface outside the defects also displays a considerable enrichment by Te. Distinct presence of copper is found in both the thin surface layer and in the defects emerged on the surface. The surface reconstruction is associated with a remarkable change in the bulk material properties, electrical (an increase in the resistivity by a factor of ∼6) and optical (an IR transmittance increase). A post-polishing following the ultrasound processing makes the CdZnTe material more stable and reliable for a wide range of device applications.

Coenzyme- and His-tag-induced crystallization of octopine dehydrogenase

International Nuclear Information System (INIS)

Smits, Sander H. J.; Mueller, Andre; Grieshaber, Manfred K.; Schmitt, Lutz

2008-01-01

The crystal structure of octopine dehydrogenase revealed a specific role of the His 5 tag in inducing the crystal contacts required for successful crystallization. Over the last decade, protein purification has become more efficient and standardized through the introduction of affinity tags. The choice and position of the tag, however, can directly influence the process of protein crystallization. Octopine dehydrogenase (OcDH) without a His tag and tagged protein constructs such as OcDH-His 5 and OcDH-LEHis 6 have been investigated for their crystallizability. Only OcDH-His 5 yielded crystals; however, they were multiple. To improve crystal quality, the cofactor NADH was added, resulting in single crystals that were suitable for structure determination. As shown by the structure, the His 5 tag protrudes into the cleft between the NADH and l-arginine-binding domains and is mainly fixed in place by water molecules. The protein is thereby stabilized to such an extent that the formation of crystal contacts can proceed. Together with NADH, the His 5 tag obviously locks the enzyme into a specific conformation which induces crystal growth

Role of endothelial permeability hotspots and endothelial mitosis in determining age-related patterns of macromolecule uptake by the rabbit aortic wall near branch points.

Science.gov (United States)

Chooi, K Yean; Comerford, Andrew; Cremers, Stephanie J; Weinberg, Peter D

2016-07-01

Transport of macromolecules between plasma and the arterial wall plays a key role in atherogenesis. Scattered hotspots of elevated endothelial permeability to macromolecules occur in the aorta; a fraction of them are associated with dividing cells. Hotspots occur particularly frequently downstream of branch points, where lesions develop in young rabbits and children. However, the pattern of lesions varies with age, and can be explained by similar variation in the pattern of macromolecule uptake. We investigated whether patterns of hotspots and mitosis also change with age. Evans' Blue dye-labeled albumin was injected intravenously into immature or mature rabbits and its subsequent distribution in the aortic wall around intercostal branch ostia examined by confocal microscopy and automated image analysis. Mitosis was detected by immunofluorescence after adding 5-bromo-2-deoxiuridine to drinking water. Hotspots were most frequent downstream of branches in immature rabbits, but a novel distribution was observed in mature rabbits. Neither pattern was explained by mitosis. Hotspot uptake correlated spatially with the much greater non-hotspot uptake (p hotspots were considered. The pattern of hotspots changes with age. The data are consistent with there being a continuum of local permeabilities rather than two distinct mechanisms. The distribution of the dye, which binds to elastin and collagen, was similar to that of non-binding tracers and to lesions apart from a paucity at the lateral margins of branches that can be explained by lower levels of fibrous proteins in those regions. Copyright © 2016. Published by Elsevier Ireland Ltd.

Crystallization mechanisms of acicular crystals

Science.gov (United States)

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.

Controllable Growth of Monolayer MoS2 and MoSe2 Crystals Using Three-temperature-zone Furnace

Science.gov (United States)

Zheng, Binjie; Chen, Yuanfu

2017-12-01

Monolayer molybdenum disulfide (MoS2) and molybdenum diselenide (MoSe2) have attracted a great attention for their exceptional electronic and optoelectronic properties among the two dimensional family. However, controllable synthesis of monolayer crystals with high quality needs to be improved urgently. Here we demonstrate a chemical vapor deposition (CVD) growth of monolayer MoS2 and MoSe2 crystals using three-temperature-zone furnace. Systematical study of the effects of growth pressure, temperature and time on the thickness, morphology and grain size of crystals shows the good controllability. The photoluminescence (PL) characterizations indicate that the as-grown monolayer MoS2 and MoSe2 crystals possess excellent optical qualities with very small full-width-half-maximum (FWHM) of 96 me V and 57 me V, respectively. It is comparable to that of exfoliated monolayers and reveals their high crystal quality. It is promising that our strategy should be applicable for the growth of other transition metal dichalcogenides (TMDs) monolayer crystals.

A Biology Laboratory Exercise Using Macromolecule Assays to Distinguish Four Types of Milk

Directory of Open Access Journals (Sweden)

Charlotte W. Pratt

2011-03-01

Full Text Available One of the drawbacks of cookbook-style laboratory exercises for General Biology courses is that students are not challenged to develop skills in scientific reasoning, such as formulating hypotheses and designing and carrying out experiments. Several traditional laboratory curricula include exercises involving semi-quantitative colorimetric assays to detect proteins (biuret test, reducing sugars (Benedict’s test, starch (Lugol’s test, and lipids (Sudan red test in a variety of easily prepared solutions (glucose, albumin, glycine, etc. and familiar food items (lemon juice, cornstarch, egg white, etc.. An extension of this lab exercise was developed to allow students to use their knowledge of the macromolecule assays to design an experiment to distinguish four types of “milk”: whole milk, skim milk, cream, and soy milk (rice milk or almond milk could also be included.

Load-release of small and macromolecules from elastomers with reversible gyroid mesoporosity

DEFF Research Database (Denmark)

Guo, Fengxiao; Schulte, Lars; Ndoni, Sokol

2012-01-01

. However, in the gel state in the presence of a good solvent the swollen matrix did show a nanoporous structure originated from the gyroid block copolymer precursor. Nanopores can be opened or closed depending on the presence or absence of a solvent. Macromolecules like PEG of different molecular weights......A collapsed elastomeric matrix of lightly cross-linked 1,2-polybutadiene (1,2-PB) was prepared from a self-assembled 1,2-polybutadiene-b- polydimethylsiloxane (1,2-PB-b-PDMS) of gyroid morphology after the removal of the PDMS block. No mesoporosity could be observed in the material in the dry state...... or small molecules like the surfactant SDS were loaded into the opened nanoporous matrix in the presence of a solvent and remained trapped. The loaded molecules could be released again in the presence of a solvent. The load and release of the molecules in deuterated form were monitored by in situ time...

Improved data visualization techniques for analyzing macromolecule structural changes.

Science.gov (United States)

Kim, Jae Hyun; Iyer, Vidyashankara; Joshi, Sangeeta B; Volkin, David B; Middaugh, C Russell

2012-10-01

The empirical phase diagram (EPD) is a colored representation of overall structural integrity and conformational stability of macromolecules in response to various environmental perturbations. Numerous proteins and macromolecular complexes have been analyzed by EPDs to summarize results from large data sets from multiple biophysical techniques. The current EPD method suffers from a number of deficiencies including lack of a meaningful relationship between color and actual molecular features, difficulties in identifying contributions from individual techniques, and a limited ability to be interpreted by color-blind individuals. In this work, three improved data visualization approaches are proposed as techniques complementary to the EPD. The secondary, tertiary, and quaternary structural changes of multiple proteins as a function of environmental stress were first measured using circular dichroism, intrinsic fluorescence spectroscopy, and static light scattering, respectively. Data sets were then visualized as (1) RGB colors using three-index EPDs, (2) equiangular polygons using radar charts, and (3) human facial features using Chernoff face diagrams. Data as a function of temperature and pH for bovine serum albumin, aldolase, and chymotrypsin as well as candidate protein vaccine antigens including a serine threonine kinase protein (SP1732) and surface antigen A (SP1650) from S. pneumoniae and hemagglutinin from an H1N1 influenza virus are used to illustrate the advantages and disadvantages of each type of data visualization technique. Copyright © 2012 The Protein Society.

Liquid nitrogen dewar for protein crystal growth

Science.gov (United States)

2001-01-01

Gaseous Nitrogen Dewar apparatus developed by Dr. Alex McPherson of the University of California, Irvine for use aboard Mir and the International Space Station allows large quantities of protein samples to be crystallized in orbit. The specimens are contained either in plastic tubing (heat-sealed at each end). Biological samples are prepared with a precipitating agent in either a batch or liquid-liquid diffusion configuration. The samples are then flash-frozen in liquid nitrogen before crystallization can start. On orbit, the Dewar is placed in a quiet area of the station and the nitrogen slowly boils off (it is taken up by the environmental control system), allowing the proteins to thaw to begin crystallization. The Dewar is returned to Earth after one to four months on orbit, depending on Shuttle flight opportunities. The tubes then are analyzed for crystal presence and quality

Linear, non-linear and thermal properties of single crystal of LHMHCl

Science.gov (United States)

Kulshrestha, Shobha; Shrivastava, A. K.

2018-05-01

The single crystal of amino acid of L-histidine monohydrochloride was grown by slow evaporation technique at room temperature. High optical quality and appropriate size of crystals were grown under optimized growth conditions. The grown crystals were transparent. Crystals are characterized with different characterizations such as Solubility test, UV-Visible, optical band gap (Eg). With the help of optical data to be calculate absorption coefficient (α), extinction coefficient (k), refractive index (n), dielectric constant (ɛ). These optical constants are shows favorable conditions for photonics devices. Second harmonic generation (NLO) test show the green light emission which is confirm that crystal have properties for laser application. Thermal stability of grown crystal is confirmed by TG/DTA.

Micropore surface area of alkali-soluble plant macromolecules (humic acids) drives their decomposition rates in soil.

Science.gov (United States)

Papa, Gabriella; Spagnol, Manuela; Tambone, Fulvia; Pilu, Roberto; Scaglia, Barbara; Adani, Fabrizio

2010-02-01

Previous studies suggested that micropore surface area (MSA) of alkali-soluble bio-macromolecules of aerial plant residues of maize constitutes an important factor that explains their humification in soil, that is, preservation against biological degradation. On the other hand, root plant residue contributes to the soil humus balance, as well. Following the experimental design used in a previous paper published in this journal, this study shows that the biochemical recalcitrance of the alkali-soluble acid-insoluble fraction of the root plant material, contributed to the root maize humification of both Wild-type maize plants and its corresponding mutant brown midrib (bm3), this latter characterized by reduced lignin content. Humic acids (HAs) existed in root (root-HAs) were less degraded in soil than corresponding HAs existed in shoot (shoot-HAs): shoot-HAs bm3 (48%)>shoot-HAs Wild-type (37%)>root-HAs Wild-type (33%)>root-HAs bm3 (22%) (degradability shown in parenthesis). These differences were related to the MSA of HAs, that is, root-HAs having a higher MSA than shoot-HAs: shoot-HAs bm3 (41.43+/-1.2m(2)g(-1))macromolecules recalcitrance in soil.

CCDC 870534: Experimental Crystal Structure Determination : Dichloro-trimethyl-tantalum(v)

KAUST Repository

Chen, Yin; Callens, E.; Abou-Hamad, E.; Merle, N.; White, A.J.P.; Taoufik, M.; Coperet, C.; Le Roux, E.; Basset, J.-M.

2013-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1475931: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

KAUST Repository

Dang, Yangyang

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1475929: Experimental Crystal Structure Determination : trimethylammonium tribromo-tin(iv)

KAUST Repository

Dang, Yangyang

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1482638: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

KAUST Repository

Dang, Yangyang

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1475930: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)

KAUST Repository

Dang, Yangyang

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Human serum albumin crystals and method of preparation

Science.gov (United States)

Carter, Daniel C. (Inventor)

1989-01-01

Human serum albumin (HSA) crystals are provided in the form of tetragonal plates having the space groups P42(sub 1)2, the crystals being grown to sizes in excess of 0.5 mm in two dimensions and a thickness of 0.1 mm. Growth of the crystals is carried out by a hanging drop method wherein a precipitant solution containing polyethylene glycol (PEG) and a phosphate buffer is mixed with an HSA solution, and a droplet of mixed solution is suspended over a well of precipitant solution. Crystals grow to the desired size in 3 to 7 days. Concentration of reagents, pH and other parameters are controlled within prescribed limits. The resulting crystals exhibit a size and quality such as to allow performance of x ray diffraction studies and enable the conduct of drug binding studies as well as genetic engineering studies.

Neutron scattering. Lectures

Energy Technology Data Exchange (ETDEWEB)

Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner (eds.)

2010-07-01

The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

Neutron scattering. Lectures

International Nuclear Information System (INIS)

Brueckel, Thomas; Heger, Gernot; Richter, Dieter; Roth, Georg; Zorn, Reiner

2010-01-01

The following topics are dealt with: Neutron sources, neutron properties and elastic scattering, correlation functions measured by scattering experiments, symmetry of crystals, applications of neutron scattering, polarized-neutron scattering and polarization analysis, structural analysis, magnetic and lattice excitation studied by inelastic neutron scattering, macromolecules and self-assembly, dynamics of macromolecules, correlated electrons in complex transition-metal oxides, surfaces, interfaces, and thin films investigated by neutron reflectometry, nanomagnetism. (HSI)

SM50 repeat-polypeptides self-assemble into discrete matrix subunits and promote appositional calcium carbonate crystal growth during sea urchin tooth biomineralization.

Science.gov (United States)

Mao, Yelin; Satchell, Paul G; Luan, Xianghong; Diekwisch, Thomas G H

2016-01-01

The two major proteins involved in vertebrate enamel formation and echinoderm sea urchin tooth biomineralization, amelogenin and SM50, are both characterized by elongated polyproline repeat domains in the center of the macromolecule. To determine the role of polyproline repeat polypeptides in basal deuterostome biomineralization, we have mapped the localization of SM50 as it relates to crystal growth, conducted self-assembly studies of SM50 repeat polypeptides, and examined their effect on calcium carbonate and apatite crystal growth. Electron micrographs of the growth zone of Strongylocentrotus purpuratus sea urchin teeth documented a series of successive events from intravesicular mineral nucleation to mineral deposition at the interface between tooth surface and odontoblast syncytium. Using immunohistochemistry, SM50 was detected within the cytoplasm of cells associated with the developing tooth mineral, at the mineral secreting front, and adjacent to initial mineral deposits, but not in muscles and ligaments. Polypeptides derived from the SM50 polyproline alternating hexa- and hepta-peptide repeat region (SM50P6P7) formed highly discrete, donut-shaped self-assembly patterns. In calcium carbonate crystal growth studies, SM50P6P7 repeat peptides triggered the growth of expansive networks of fused calcium carbonate crystals while in apatite growth studies, SM50P6P7 peptides facilitated the growth of needle-shaped and parallel arranged crystals resembling those found in developing vertebrate enamel. In comparison, SM50P6P7 surpassed the PXX24 polypeptide repeat region derived from the vertebrate enamel protein amelogenin in its ability to promote crystal nucleation and appositional crystal growth. Together, these studies establish the SM50P6P7 polyproline repeat region as a potent regulator in the protein-guided appositional crystal growth that occurs during continuous tooth mineralization and eruption. In addition, our studies highlight the role of species

Overview of the 63000 PWO Barrel Crystals for CMS_ECAL Production

CERN Document Server

Auffray, E

2008-01-01

In March 2007, the PWO crystal production for the barrel part of the CMS electromagnetic calorimeter has been completed. Since September 1998, 63000 crystals (61000 in Russia, 2000 in China) have been produced, received and tested in two regional centers (CERN and INFN Rome). This paper presents an overview of the procedures used from the R&D phase up to the final large scale reception and quality control. The crystals characteristics and the lessons learned from the production of this unprecedented amount of crystals in a HEP experiment are also presented.

Image transfer by cascaded stack of photonic crystal and air layers

NARCIS (Netherlands)

Shen, C.; Michielsen, K.; Raedt, H. De

2006-01-01

We demonstrate image transfer by a cascaded stack consisting of two and three triangular-lattice photonic crystal slabs separated by air. The quality of the image transfered by the stack is sensitive to the air/photonic crystal interface termination and the frequency. Depending on the frequency and

Crystal growth and physical properties of Ferro-pnictides

Energy Technology Data Exchange (ETDEWEB)

Aswartham, Saicharan

2012-11-08

The thesis work presented here emphasizes important aspects of crystal growth and the influence of chemical substitution in Fe-As superconductors. High temperature solution growth technique is one of most powerful and widely used technique to grow single crystals of various materials. The biggest advantage of high temperature solution growth technique is the, possibility of growing single crystals from both congruently and incongruently melting materials. Solution growth technique has the potential to control high vapour pressures, given the fact that, in Fe-based superconductors elements with high vapour pressure like As, K, Li and Na have to be handled during the crystal growth procedure. In this scenario high temperature solution growth is the best suitable growth technique to synthesize sizable homogeneous single crystals. Using self-flux high temperature solution growth technique, large centimeter-sized high quality single crystals of BaFe{sub 2}As{sub 2} were grown. This pristine compound BaFe{sub 2}As{sub 2} undergoes structural and magnetic transition at T{sub S/N} = 137 K. By suppressing this magnetic transition and stabilizing tetragonal phase with chemical substitution, like Co-doping and Na-doping, bulk superconductivity is achieved. Superconducting transitions of as high as T{sub c} = 34 K with Na substitution and T{sub c} = 25 K with Co-doping were obtained. A combined electronic phase diagram has been achieved for both electron doping with Co and hole doping with Na in BaFe{sub 2}As{sub 2}. Single crystals of LiFe{sub 1-x}Co{sub x}As with x = 0, 0.025, 0.05 and 0.075 were grown by a self-flux high temperature solution growth technique. The charge doping in LiFeAs is achieved with the Co-doping in Fe atoms. The superconducting properties investigated by means of temperature dependent magnetization and resistivity revealed that superconductivity is shifted to lower temperatures and with higher amount of charge carriers superconductivity is killed

Protein surface shielding agents in protein crystallization

International Nuclear Information System (INIS)

Hašek, J.

2011-01-01

The crystallization process can be controlled by protein surface shielding agents blocking undesirable competitive adhesion modes during non-equilibrium processes of deposition of protein molecules on the surface of growing crystalline blocks. The hypothesis is based on a number of experimental proofs from diffraction experiments and also retrieved from the Protein Data Bank. The molecules adhering temporarily on the surface of protein molecules change the propensity of protein molecules to deposit on the crystal surface in a definite position and orientation. The concepts of competitive adhesion modes and protein surface shielding agents acting on the surface of molecules in a non-equilibrium process of protein crystallization provide a useful platform for the control of crystallization. The desirable goal, i.e. a transient preference of a single dominating adhesion mode between protein molecules during crystallization, leads to uniform deposition of proteins in a crystal. This condition is the most important factor for diffraction quality and thus also for the accuracy of protein structure determination. The presented hypothesis is a generalization of the experimentally well proven behaviour of hydrophilic polymers on the surface of protein molecules of other compounds

Paleovegetation changes recorded by n-alkyl lipids bound in macromolecules of plant fossils and kerogens from the Cretaceous sediments in Japan

Science.gov (United States)

Miyata, Y.; Sawada, K.; Nakamura, H.; Takashima, R.; Takahashi, M.

2014-12-01

Resistant macromolecules composing living plant tissues tend to be preserved through degradation and diagenesis, hence constituate major parts of sedimentary plant-derived organic matter (kerogen), and their monomer compositions vary widely among different plant taxa, organs and growth stages. Thus, analysis of such macromolecule may serve as new technique for paleobotanical evaluation distinctive from classical paleobotnical studies depends on morphological preservation of fossils. In the present study, we analyzed plant fossils and kerogens in sediments from the Cretaceous strata in Japan to examine chemotaxonomic characteristics of fossil macromolecules and to reconstruct paleovegetation change by kerogen analysis. The kerogens were separated from the powdered sediments of Cretaceous Yezo Group, Hokkaido, Japan. All kerogens have been confirmed to be mostly originated from land plant tissues by microscopic observation. Mummified angiosperm and gymnosperm fossil leaves were separated from carbonaceous sandstone of the Cretaceous Ashizawa Formation, Futaba Group. The kerogens and plant fossils were extracted with methanol and dichloromethane, and were subsequently refluxed under 110°C to remove free compounds completely. The residues are hydrolyzed by KOH/methanol under 110°C. These released compounds are analyzed by GC-MS. As main hydrolyzed products (ester-bound molecular units) from all kerogens, C10-C28 n-alkanoic acids and C10-C30 n-alkanols were detected. Recent studies on the hydrolysis products of plant tissues suggested the long chain (>C20) n-alkanols were predominantly abundant in deciduous broadleaved angiosperms. Correspondingly, the stratigraphic variation of the ratios of long chain (>C20) n-alkanols to fatty acids was concordant with the variation of angiosperm/gymnosperm ratios recorded by land plant-derived terpenoid biomarkers. In addition, we found that the long chain n-alkanols/fatty acids ratio in the angiosperm fossil leaf was

Interaction between manufactured gold nanoparticles and naturally occurring organic macromolecules

International Nuclear Information System (INIS)

Diegoli, Sara; Manciulea, Adriana L.; Begum, Shakiela; Jones, Ian P.; Lead, Jamie R.; Preece, Jon A.

2008-01-01

The increasing exploitation of nanomaterials into many consumer and other products is raising concerns as these nanomaterials are likely to be released into the environment. Due to our lack of knowledge about the environmental chemistry, transport and ecotoxicology of nanomaterials, it is of paramount importance to study how natural aquatic colloids can interact with manufactured gold nanoparticles as these interactions will determine their environmental fate and behaviour. In this context, our work aims to quantify the effect of naturally occurring riverine macromolecules - International Humic Substances Society (IHSS) Suwannee River Humic Acid Standard (SRHA) - on citrate- and acrylate-stabilized gold nanoparticles. The influence of SRHA on the stability of the gold colloids was studied as a function of pH by UV-visible absorption spectroscopy, dynamic light scattering (DLS) and transmission electron microscopy (TEM). At high ionic strengths (0.1 M), extensive and rapid aggregation occurred, while more subtle effects were observed at lower ionic strength values. Evidence was found that SRHA enhances particle stability at extreme pH values (ionic strength < 0.01 M) by substituting and/or over-coating the original stabilizer on the gold nanoparticle surface, thus affecting surface charge and chemistry. These findings have important implications for the fate and behaviour of nanoparticles in the environment and their ecotoxicity

Effects of flexible substrate thickness on Al-induced crystallization of amorphous Ge thin films

Energy Technology Data Exchange (ETDEWEB)

Oya, Naoki [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Toko, Kaoru, E-mail: toko@bk.tsukuba.ac.jp [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan); Saitoh, Noriyuki; Yoshizawa, Noriko [Electron Microscope Facility, TIA, AIST, 16-1 Onogawa, Tsukuba 305-8569 (Japan); Suemasu, Takashi [Institute of Applied Physics, University of Tsukuba, Tsukuba, Ibaraki 305-8573 (Japan)

2015-05-29

Amorphous germanium (a-Ge) thin films were directly crystallized on flexible plastic substrates at 325 °C using Al-induced crystallization. The thickness of the plastic substrate strongly influenced the crystal quality of the resulting polycrystalline Ge layers. Using a thicker substrate lowered the stress on the a-Ge layer during annealing, which increased the grain size and fraction of (111)-oriented grains within the Ge layer. Employing a 125-μm-thick substrate led to 95% (111)-oriented Ge with grains having an average size of 100 μm. Transmission electron microscopy demonstrated that the Ge grains had a low-defect density. Production of high-quality Ge films on plastic substrates allows for the possibility for developing Ge-based electronic and optical devices on inexpensive flexible substrates. - Highlights: • Polycrystalline Ge thin films are directly formed on flexible plastic substrates. • Al-induced crystallization allows the low-temperature growth (325 °C) of amorphous Ge. • The substrate bending during annealing strongly influences the crystal quality of poly-Ge. • A thick substrate (125 μm) leads to 95% (111)-oriented Ge with grains 100 μm in size.

Molar mass, radius of gyration and second virial coefficient from new static light scattering equations for dilute solutions: application to 21 (macro)molecules.

Science.gov (United States)

Illien, Bertrand; Ying, Ruifeng

2009-05-11

New static light scattering (SLS) equations for dilute binary solutions are derived. Contrarily to the usual SLS equations [Carr-Zimm (CZ)], the new equations have no need for the experimental absolute Rayleigh ratio of a reference liquid and solely rely on the ratio of scattered intensities of solutions and solvent. The new equations, which are based on polarizability equations, take into account the usual refractive index increment partial differential n/partial differential rho(2) complemented by the solvent specific polarizability and a term proportional to the slope of the solution density rho versus the solute mass concentration rho(2) (density increment). Then all the equations are applied to 21 (macro)molecules with a wide range of molar mass (0.2equations clearly achieve a better agreement with supplier M values. For macromolecules (M>500 kg mol(-1)), for which the scattered intensity is no longer independent of the scattering angle, the new equations give the same value of the radius of gyration as the CZ equation and consistent values of the second virial coefficient.

Preparation and preliminary characterization of crystallizing fluorescent derivatives of chicken egg white lysozyme

Science.gov (United States)

Sumida, John P.; Forsythe, Elizabeth L.; Pusey, Marc L.

2001-11-01

Fluorescence is one of the most versatile and powerful tools for the study of macromolecules. While most proteins are intrinsically fluorescent, working at crystallization concentrations require the use of covalently prepared derivatives added as tracers. This approach requires derivatives that do not markedly affect the crystal packing. We have prepared fluorescent derivatives of chicken egg white lysozyme with probes bound to one of two different sites on the protein molecule. Lucifer yellow and 5-(2-aminoethyl)aminonapthalene-1-sulfonic acid (EDANS) have been attached to the side chain carboxyl of Asp 101 using a carbodiimide coupling procedure. Asp 101 lies within the active site cleft, and it is believed that the probes are "buried" within that cleft. Lucifer yellow and EDANS probes with iodoacetamide reactive groups have been bound to His 15, located on the "back side" of the molecule relative to the active site. All the derivatives fluoresce in the solution and the crystalline states. Fluorescence characterization has focused on determination of binding effects on the probe quantum yield, lifetime, absorption and emission spectra, and quenching by added solutes. Quenching studies show that, as postulated, the Asp 101-bound probes are partially sheltered from the bulk solution by their location within the active site cleft. Probes bound to His 15 have quenching constants about equal to those for the free probes, indicating that this site is highly exposed to the bulk solution.

LIGHT INDUCED TELLURIUM ENRICHMENT ON CDZNTE CRYSTAL SURFACES DETECTED BY RAMAN SPECTROSCOPY

International Nuclear Information System (INIS)

Hawkins, S; Eliel Villa-Aleman, E; Martine Duff, M; Douglas Hunter, D

2007-01-01

Synthetic CdZnTe or 'CZT' crystals can be grown under controlled conditions to produce high quality crystals to be used as room temperature radiation detectors. Even the best crystal growth methods result in defects, such as tellurium secondary phases, that affect the crystal's performance. In this study, CZT crystals were analyzed by micro Raman spectroscopy. The growth of Te rich areas on the surface was induced by low powered lasers. The growth was observed versus time with low power Raman scattering and was observed immediately under higher power conditions. The detector response was also measured after induced Te enrichment

Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide

Energy Technology Data Exchange (ETDEWEB)

Liu, Bing; Garnett, James A.; Lee, Wei-chao; Lin, Jing; Salgado, Paula; Taylor, Jonathan; Xu, Yingqi; Lambert, Sebastian; Cota, Ernesto [Centre for Structural Biology and Division of Molecular Biosciences, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Matthews, Steve, E-mail: s.j.matthews@imperial.ac.uk [Centre for Structural Biology and Division of Molecular Biosciences, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom)

2012-05-04

Highlights: Black-Right-Pointing-Pointer The benefits of D{sub 2}O in screening for crystallisation was explored. Black-Right-Pointing-Pointer The crystal structures of the SefD pilin in both H{sub 2}O and D{sub 2}O reveal differences. Black-Right-Pointing-Pointer Crystallisation improvements are explained by altered interactions in D{sub 2}O crystals. Black-Right-Pointing-Pointer D{sub 2}O is useful additive in sparse-matrix screening for crystallisation. -- Abstract: The use of heavy water (D{sub 2}O) as a solvent is commonplace in many spectroscopic techniques for the study of biological macromolecules. A significant deuterium isotope effect exists where hydrogen-bonding is important, such as in protein stability, dynamics and assembly. Here we illustrate the use of D{sub 2}O in additive screening for the production of reproducible diffraction-quality crystals for the Salmonella enteritidis fimbriae 14 (SEF14) putative tip adhesin, SefD.

Study of structural and optical properties of YAG and Nd:YAG single crystals

Energy Technology Data Exchange (ETDEWEB)

Kostić, S. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Lazarević, Z.Ž., E-mail: lzorica@yahoo.com [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Radojević, V. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia); Milutinović, A.; Romčević, M.; Romčević, N.Ž. [Institute of Physics, University of Belgrade, P.O. Box 68, Pregrevica 118, Zemun, Belgrade (Serbia); Valčić, A. [Faculty of Technology and Metallurgy, University of Belgrade, Belgrade (Serbia)

2015-03-15

Highlights: • Transparent YAG and pale pink Nd:YAG single crystals were produced by the Czochralski technique. • Growth mechanisms and shape of the liquid/solid interface and incorporation of Nd{sup 3+} were studied. • The structure of the crystals was investigated by X-ray diffraction, Raman and IR spectroscopy. • The 15 Raman and 17 IR modes were observed. • The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. - Abstract: Yttrium aluminum garnet (YAG, Y{sub 3}Al{sub 5}O{sub 12}) and yttrium aluminum garnet doped with neodymium (Nd:YAG) single crystals were grown by the Czochralski technique. The critical diameter and the critical rate of rotation were calculated. Suitable polishing and etching solutions were determined. As a result of our experiments, the transparent YAG and pale pink Nd:YAG single crystals were produced. The obtained crystals were studied by X-ray diffraction, Raman and IR spectroscopy. The crystal structure was confirmed by XRD. The 15 Raman and 17 IR modes were observed. The Raman and IR spectroscopy results are in accordance with X-ray diffraction analysis. The obtained YAG and Nd:YAG single crystals were without core and of good optical quality. The absence of a core was confirmed by viewing polished crystal slices. Also, it is important to emphasize that the obtained Nd:YAG single crystal has a concentration of 0.8 wt.% Nd{sup 3+} that is characteristic for laser materials.

Controllable optical bistability in photonic-crystal one-atom laser

International Nuclear Information System (INIS)

Guo Xiaoyong; Lue Shuchen

2009-01-01

We investigate the property of optical bistability in a photonic-crystal one-atom laser when nonlinear microcavity is present. The physical system consists of a coherently driven two-level light emitter strongly coupled to a high-quality microcavity which is embedded within a photonic crystal and another coherent probing field which has incident into the microcavity. In our case, the microcavity is fabricated by nonlinear material and placed as an impurity in photonic crystal. This study reveals that such a system can exhibit optical bistability. The dependence of threshold value and hysteresis loop on the photonic band gap of the photonic crystal, driving field Rabi frequency and dephasing processes, are studied. Our results clearly illustrate the ability to control optical bistability through suitable photonic-crystal architectures and external coherent driving field, and this study suggests that in a photonic-crystal nonlinear microcavity, the one-atom laser acts as an effective controllable bistable device in the design of all-light digital computing systems in the near future.

Single-crystal SrTiO3 fiber grown by laser heated pedestal growth method: influence of ceramic feed rod preparation in fiber quality

Directory of Open Access Journals (Sweden)

D. Reyes Ardila

1998-10-01

Full Text Available The rapidly spreading use of optical fiber as a transmission medium has created an interest in fiber-compatible optical devices and methods for growing them, such as the Laser Heated Pedestal Growth (LHPG. This paper reports on the influence of the ceramic feed rod treatment on fiber quality and optimization of ceramic pedestal processing that allows improvements to be made on the final quality in a simple manner. Using the LHPG technique, transparent crack-free colorless single crystal fibers of SrTiO3 (0.50 mm in diameter and 30-40 mm in length were grown directly from green-body feed rods, without using external oxygen atmosphere.

Sharp Absorption Peaks in THz Spectra Valuable for Crystal Quality Evaluation of Middle Molecular Weight Pharmaceuticals

Science.gov (United States)

Sasaki, Tetsuo; Sakamoto, Tomoaki; Otsuka, Makoto

2018-05-01

Middle molecular weight (MMW) pharmaceuticals (MW 400 4000) are attracting attention for their possible use in new medications. Sharp absorption peaks were observed in MMW pharmaceuticals at low temperatures by measuring with a high-resolution terahertz (THz) spectrometer. As examples, high-resolution THz spectra for amoxicillin trihydrate, atorvastatin calcium trihydrate, probucol, and α,β,γ,δ-tetrakis(1-methylpyridinium-4-yl)porphyrin p-toluenesulfonate (TMPyP) were obtained at 10 K. Typically observed as peaks with full width at half-height (FWHM) values as low as 5.639 GHz at 0.96492 THz in amoxicillin trihydrate and 8.857 GHz at 1.07974 THz for probucol, many sharp peaks of MMW pharmaceuticals could be observed. Such narrow absorption peaks enable evaluation of the crystal quality of MMW pharmaceuticals and afford sensitive detection of impurities.

A HPMT based set-up to characterize scintillating crystals

International Nuclear Information System (INIS)

D'Ambrosio, C.; Ercoli, C.; Jaaskelainen, S.; Lecoeur, G.; Leutz, H.; Loos, R.; Piedigrossi, D.; Puertolas, D.; Rosso, E.; Schomaker, R.

1999-01-01

We have developed a fully automatic measurement set-up, capable of measuring light yields arising from scintillating crystals in a linear range of about four orders of magnitude. The photodetector is a hybrid photomultiplier tube specially developed to optimize linear range and photon detection. Crystal and photodetector are temperature controlled by a closed water circuit, as this is essential when measuring low light yield scintillating crystals with a marked temperature dependence of their light yield. Gamma sources can be placed either on top or on the side of the crystal. In this latter case, the source can be automatically moved by a computer-controlled step motor to provide a uniformity profile of the light yield along the crystal. Tagged and not-tagged operation modes are possible. The whole set-up is computer-controlled in an effort to provide fast and reliable measurements, to characterize many crystals per day. This is important for the quality control of the lead tungstate crystals that will be applied in the electromagnetic calorimeter of the CMS-detector at the LHC at CERN. (author)

A HPMT based set-up to characterize scintillating crystals

Energy Technology Data Exchange (ETDEWEB)

D' Ambrosio, C.; Ercoli, C.; Jaaskelainen, S.; Lecoeur, G.; Leutz, H.; Loos, R.; Piedigrossi, D.; Puertolas, D.; Rosso, E.; Schomaker, R

1999-09-21

We have developed a fully automatic measurement set-up, capable of measuring light yields arising from scintillating crystals in a linear range of about four orders of magnitude. The photodetector is a hybrid photomultiplier tube specially developed to optimize linear range and photon detection. Crystal and photodetector are temperature controlled by a closed water circuit, as this is essential when measuring low light yield scintillating crystals with a marked temperature dependence of their light yield. Gamma sources can be placed either on top or on the side of the crystal. In this latter case, the source can be automatically moved by a computer-controlled step motor to provide a uniformity profile of the light yield along the crystal. Tagged and not-tagged operation modes are possible. The whole set-up is computer-controlled in an effort to provide fast and reliable measurements, to characterize many crystals per day. This is important for the quality control of the lead tungstate crystals that will be applied in the electromagnetic calorimeter of the CMS-detector at the LHC at CERN. (author)

Fabrication of triangular nanobeam waveguide networks in bulk diamond using single-crystal silicon hard masks

International Nuclear Information System (INIS)

Bayn, I.; Mouradian, S.; Li, L.; Goldstein, J. A.; Schröder, T.; Zheng, J.; Chen, E. H.; Gaathon, O.; Englund, Dirk; Lu, M.; Stein, A.; Ruggiero, C. A.; Salzman, J.; Kalish, R.

2014-01-01

A scalable approach for integrated photonic networks in single-crystal diamond using triangular etching of bulk samples is presented. We describe designs of high quality factor (Q = 2.51 × 10 6 ) photonic crystal cavities with low mode volume (V m  = 1.062 × (λ/n) 3 ), which are connected via waveguides supported by suspension structures with predicted transmission loss of only 0.05 dB. We demonstrate the fabrication of these structures using transferred single-crystal silicon hard masks and angular dry etching, yielding photonic crystal cavities in the visible spectrum with measured quality factors in excess of Q = 3 × 10 3

A system for the quality inspection of LiNbO3 crystals

International Nuclear Information System (INIS)

Smilanski, I.

1977-12-01

A prototype system for the characterization of LiNbO 3 crystals by parametric fluorescence was designed and constructed. A specially built metal vapor laser served as a pump and as a calibrator for the system. It was operated both in the He-Cd + mode and in the He-Se + mode. Fluorescence in the 500 nm range, intra-cavity modulation and a correlation detector gave a sensitivity limit of 10 -15 W, and therby enabled the tunning curve and the d 15 of the crystal to be measured. (author)

Crystallization of SHARPIN using an automated two-dimensional grid screen for optimization

International Nuclear Information System (INIS)

Stieglitz, Benjamin; Rittinger, Katrin; Haire, Lesley F.

2012-01-01

The expression, purification and crystallization of an N-terminal fragment of SHARPIN are reported. Diffraction-quality crystals were obtained using a two-dimensional grid-screen seeding technique. An N-terminal fragment of human SHARPIN was recombinantly expressed in Escherichia coli, purified and crystallized. Crystals suitable for X-ray diffraction were obtained by a one-step optimization of seed dilution and protein concentration using a two-dimensional grid screen. The crystals belonged to the primitive tetragonal space group P4 3 2 1 2, with unit-cell parameters a = b = 61.55, c = 222.81 Å. Complete data sets were collected from native and selenomethionine-substituted protein crystals at 100 K to 2.6 and 2.0 Å resolution, respectively

Surface Restructuring of Hybrid Perovskite Crystals

KAUST Repository

Banavoth, Murali

2016-11-07

Hybrid perovskite crystals have emerged as an important class of semiconductors because of their remarkable performance in optoelectronics devices. The interface structure and chemistry of these crystals are key determinants of the device\\'s performance. Unfortunately, little is known about the intrinsic properties of the surfaces of perovskite materials because extrinsic effects, such as complex microstructures, processing conditions, and hydration under ambient conditions, are thought to cause resistive losses and high leakage current in solar cells. We reveal the intrinsic structural and optoelectronic properties of both pristinely cleaved and aged surfaces of single crystals. We identify surface restructuring on the aged surfaces (visualized on the atomic-scale by scanning tunneling microscopy) that lead to compositional and optical bandgap changes as well as degradation of carrier dynamics, photocurrent, and solar cell device performance. The insights reported herein clarify the key variables involved in the performance of perovskite-based solar cells and fabrication of high-quality surface single crystals, thus paving the way toward their future exploitation in highly efficient solar cells.

Molecular simulation of methane adsorption characteristics on coal macromolecule

Science.gov (United States)

Yang, Zhiyuan; He, Xiaoxiao; Meng, Zhuoyue; Xue, Wenying

2018-02-01

In this paper, the molecular model of anthracite named Wender2 was selected to study the adsorption behaviour of single component CH4 and the competitive adsorption of CH4/CO2, CH4/H2O and CH4/N2. The molecular model of anthracite was established by molecular simulation software (Materials Studio 8.0), and Grand Canonical Monte Carlo (GCMC) simulations were carried out to investigate the single and binary component adsorption. The effects of pressure and temperature on the adsorption position, adsorption energy and adsorption capacity were mainly discussed. The results show that for the single component adsorption, the adsorption capacity of CH4 increases rapidly with the pressure ascending, and then tends to be stable after the first step. The low temperature is favourable for the adsorption of CH4, and the high temperature promotes desorption quantity of CH4 from the coal. Adsorbent molecules are preferentially adsorbed on the edge of coal macromolecules. The order of adsorption capacity of CH4/CO2, CH4/H2O and CH4/N2 in the binary component is H2O>CO2>CH4>N2. The change of pressure has little effect on the adsorption capacity of the adsorbent in the competitive adsorption, but it has a great influence on the adsorption capacity of the adsorbent, and there is a positive correlation between them.

New developments in flexible cholesteric liquid crystal displays

Science.gov (United States)

Schneider, Tod; Davis, Donald J.; Franklin, Sean; Venkataraman, Nithya; McDaniel, Diaz; Nicholson, Forrest; Montbach, Erica; Khan, Asad; Doane, J. William

2007-02-01

Flexible Cholesteric liquid crystal displays have been rapidly maturing into a strong contender in the flexible display market. Encapsulation of the Cholesteric liquid crystal permits the use of flexible plastic substrates and roll-to-roll production. Recent advances include ultra-thin displays, laser-cut segmented displays of variable geometry, and smart card applications. Exciting technologies such as simultaneous laser-edge sealing and singulation enable high volume production, excellent quality control and non-traditional display geometries and formats.

CCDC 1024814: Experimental Crystal Structure Determination : 1,3-Dimesitylimidazolidine-2-selenone

KAUST Repository

Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gó mez-Suá rez, Adriá n; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1446070: Experimental Crystal Structure Determination : tris(Pentafluorophenyl)-(triethylsilyl formate)-boron

KAUST Repository

Chen, Jiawei

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1446069: Experimental Crystal Structure Determination : tris(Pentafluorophenyl)-(triethylsilyl formate)-aluminium

KAUST Repository

Chen, Jiawei

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Active Photonic crystal fibers for high power applications

DEFF Research Database (Denmark)

Olausson, Christina Bjarnal Thulin

The photonic crystal ber technology provides means to realize bers optimized for high power operation, due to the large single-mode cores and the unique design exibility of the microstructure. The work presented in this thesis focuses on improving the properties of active photonic crystal bers...... contributed to the compounding of new and improved material compositions. The second part is an investigation of pump absorption in photonic crystal bers, demonstrating that the microstructure in photonic crystal bers improves the pump absorption by up to a factor of two compared to step-index bers....... This plays an important role in high power lasers and ampliers with respect to efficiency, packaging, and thermal handling. The third part of the work has involved developing tools for characterizing the mode quality and stability of large core bers. Stable, single-mode bers with larger cores are essential...

Conformations of polyelectrolyte macromolecules with different charge density in solutions of different ionic strengths

International Nuclear Information System (INIS)

Dommes, O A; Okatova, O V; Pavlov, G M

2016-01-01

Studies of charged polymer chains are interesting in both fundamental and applied aspects. Especially, polyelectrolytes attract huge attention of researchers due to their ability to form interpolymer complexes with synthetic and biopolymers. The study was carried out on the fractions of hydrophilic copolymers of N-methyl-N-vinyl acetamide and N-methyl-N-vinyl amine hydrochloride of different degrees of polymerization and of different charge density using methods of molecular hydrodynamics. Hydrodynamic and conformational characteristics as well as molar masses of isolated molecules were estimated. In addition, the intrinsic viscosity of fractions was studied at the extreme ionic strengths - in distilled water (∼10 -6 M) and in 6M NaCl. Scaling relations for intrinsic viscosity, sedimentation and translational diffusion coefficients with molar mass were obtained. Conformational behavior of macromolecules with different linear charge density was compared. (paper)

Electric double layer and electrokinetic potential of pectic macromolecules in sugar beet

Directory of Open Access Journals (Sweden)

Kuljanin Tatjana A.

2008-01-01

Full Text Available Electrokinetic potential is an important property of colloidal particles and, regarding the fact that it is a well defined and easily measurable property, it is considered to be a permanent characteristic of a particular colloidal system. In fact, it is a measure of electrokinetic charge that surrounds the colloidal particle in a solution and is in direct proportion with the mobility of particles in an electric field. Gouy-Chapman-Stern-Graham's model of electric double layer was adopted and it was proven experimentally that the addition of Cu++ ions to sugar beet pectin caused a reduction in the negative electrokinetic potential proportional to the increase of Cu++ concentration. Higher Cu++ concentrations increased the proportion of cation specific adsorption (Cu++ and H+ with regard to electrostatic Coulombic forces. Consequently, there is a shift in the shear plane between the fixed and diffuse layers directed towards the diffuse layer, i.e. towards its compression and decrease in the electrokinetic potential or even charge inversion of pectin macromolecules.

Microseed matrix screening for optimization in protein crystallization: what have we learned?

Science.gov (United States)

D'Arcy, Allan; Bergfors, Terese; Cowan-Jacob, Sandra W; Marsh, May

2014-09-01

Protein crystals obtained in initial screens typically require optimization before they are of X-ray diffraction quality. Seeding is one such optimization method. In classical seeding experiments, the seed crystals are put into new, albeit similar, conditions. The past decade has seen the emergence of an alternative seeding strategy: microseed matrix screening (MMS). In this strategy, the seed crystals are transferred into conditions unrelated to the seed source. Examples of MMS applications from in-house projects and the literature include the generation of multiple crystal forms and different space groups, better diffracting crystals and crystallization of previously uncrystallizable targets. MMS can be implemented robotically, making it a viable option for drug-discovery programs. In conclusion, MMS is a simple, time- and cost-efficient optimization method that is applicable to many recalcitrant crystallization problems.

Fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam method

International Nuclear Information System (INIS)

Xu Xingsheng; Chen Hongda; Xiong Zhigang; Jin Aizi; Gu Changzhi; Cheng Bingying; Zhang Daozhong

2007-01-01

In this paper, we introduced the fabrication of photonic crystals on several kinds of semiconductor materials by using focused-ion beam machine, it shows that the method of focused-ion beam can fabricate two-dimensional photonic crystal and photonic crystal device efficiently, and the quality of the fabricated photonic crystal is high. Using the focused-ion beam method, we fabricate photonic crystal wavelength division multiplexer, and its characteristics are analyzed

The use of in situ proteolysis in the crystallization of murine CstF-77

International Nuclear Information System (INIS)

Bai, Yun; Auperin, Thierry C.; Tong, Liang

2007-01-01

In situ proteolysis with fungal protease or subtilisin is crucial for the crystallization of murine CstF-77. The cleavage-stimulation factor (CstF) is required for the cleavage of the 3′-end of messenger RNA precursors in eukaryotes. During structure determination of the 77 kDa subunit of the murine CstF complex (CstF-77), it was serendipitously discovered that a solution infected by a fungus was crucial for the crystallization of this protein. CstF-77 was partially proteolyzed during crystallization; this was very likely to have been catalyzed by a protease secreted by the fungus. It was found that the fungal protease can be replaced by subtilisin and this in situ proteolysis protocol produced crystals of sufficient size for structural studies. After an extensive search, it was found that 55% glucose can be used as a cryoprotectant while maintaining the diffraction quality of the crystals; most other commonly used cryoprotectants were detrimental to the diffraction quality

Surface engineering of nanoparticles with macromolecules for epoxy curing: Development of super-reactive nitrogen-rich nanosilica through surface chemistry manipulation

Science.gov (United States)

Jouyandeh, Maryam; Jazani, Omid Moini; Navarchian, Amir H.; Shabanian, Meisam; Vahabi, Henri; Saeb, Mohammad Reza

2018-07-01

Curing behavior of epoxy-based nanocomposites depends on dispersion state of nanofillers and their physical and chemical interactions with the curing moieties. In this work, a systematic approach was introduced for chemical functionalization of nanoparticles with macromolecules in order to enrich crosslinking potential of epoxy/amine systems, particularly at late stages of cure where the curing is diffusion-controlled. Super-reactive hyperbranched polyethylenimine (PEI)-attached nanosilica was materialized in this work to facilitate epoxy-amine curing. Starting from coupling [3-(2,3-epoxypropoxy) propyl] trimethoxysilane (EPPTMS) with hyperbranched PEI, a super-reactive macromolecule was obtained and subsequently grafted onto the nanosilica surface. Eventually, a thermally-stable highly-curable nanocomposite was attained by replacement of amine and imine groups of the PEI with imide and amide groups through the reaction with pyromellitic acid dianhydride. Fourier-transform infrared spectrophotometry, X-ray diffractometry, X-ray photoelectron spectroscopy and transmission electron microscopy approved successful grafting of polymer chains onto the nanosilica surface. Thermogravimetric analyses approved a relatively high grafting ratio of ca. 21%. Curing potential of the developed super-reactive nanoparticle was uncovered through nonisothermal differential scanning calorimetry signifying an enthalpy rise of ca. 120 J/g by addition of 2 wt.% to epoxy at 5 °C/min heating rate. Even at low concentration of 0.5 wt.%, the glass transition temperature of epoxy increased from 128 to 156 °C, demonstrating prolonged crosslinking.

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

Science.gov (United States)

Davis, Ryan D; Tolbert, Margaret A

2017-07-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

Elevated uptake of plasma macromolecules by regions of arterial wall predisposed to plaque instability in a mouse model.

Directory of Open Access Journals (Sweden)

Zahra Mohri

Full Text Available Atherosclerosis may be triggered by an elevated net transport of lipid-carrying macromolecules from plasma into the arterial wall. We hypothesised that whether lesions are of the thin-cap fibroatheroma (TCFA type or are less fatty and more fibrous depends on the degree of elevation of transport, with greater uptake leading to the former. We further hypothesised that the degree of elevation can depend on haemodynamic wall shear stress characteristics and nitric oxide synthesis. Placing a tapered cuff around the carotid artery of apolipoprotein E -/- mice modifies patterns of shear stress and eNOS expression, and triggers lesion development at the upstream and downstream cuff margins; upstream but not downstream lesions resemble the TCFA. We measured wall uptake of a macromolecular tracer in the carotid artery of C57bl/6 mice after cuff placement. Uptake was elevated in the regions that develop lesions in hyperlipidaemic mice and was significantly more elevated where plaques of the TCFA type develop. Computational simulations and effects of reversing the cuff orientation indicated a role for solid as well as fluid mechanical stresses. Inhibiting NO synthesis abolished the difference in uptake between the upstream and downstream sites. The data support the hypothesis that excessively elevated wall uptake of plasma macromolecules initiates the development of the TCFA, suggest that such uptake can result from solid and fluid mechanical stresses, and are consistent with a role for NO synthesis. Modification of wall transport properties might form the basis of novel methods for reducing plaque rupture.

Carrier mobility and crystal perfection of tetracene thin film FET

International Nuclear Information System (INIS)

Moriguchi, N.; Nishikawa, T.; Anezaki, T.; Unno, A.; Tachibana, M.; Kojima, K.

2006-01-01

It is well-known that the carrier mobility of an organic field effect semiconductor (FET) depended on the crystal quality and/or the crystal perfection of the organic thin films [T.W. Kelly, D.V. Muyres, P.F. Baude, T.P. Smith, T.D. Jones, Mater. Res. Soc. Symp. Proc. 771 (2003) L6.5.1; D.J. Gundlach, J.A. Nichols, L. Zhou, T.N. Jackson, Appl. Phys. Lett. 80 (2002) 2925; H.K. Lauk, M. Halik, U. Zschieschang, G. Schmid, W. Radlik, J. Appl. Phys. 92 (2002) 5259; M. Shtein, J. Mapel, J.B. Benziger, S.R. Forrest, Appl. Phys. Lett. 81 (2002) 268; D. Knipp, R.A. Street, A.R. Volkel, Appl. Phys. Lett. 82 (2003) 3907; R. Ruiz, A.C. Mayer, G.G. Malliaras, Appl. Phys. Lett. 85 (2004) 4926; R.W.I. de Boer, M.E. Gershenson, A.F. Morpurgo, V. Podzorov, Phys. Stat. Sol. A 201 (2004) 1031]. To improve the crystal quality of the thin film many efforts were made. One of the important improvements was the surface treatment of the substrate. The tetracene thin film FET (top contact structure) was fabricated using the substrate, which was coated by a spin-coating method with a 0.1% poly α-methylstyrene (AMS) solution. The crystal quality was improved by this treatment so that the carrier mobility was higher than that of non-treatment. The maximum mobility of the AMS-treated sample was obtained to be 0.12 cm 2 /V s

Space growth studies of Ce-doped Bi12SiO20 single crystal

International Nuclear Information System (INIS)

Zhou, Y.F.; Wang, J.C.; Tang, L.A.; Pan, Z.L.; Chen, N.F.; Chen, W.C.; Huang, Y.Y.; He, W.

2004-01-01

Ce-doped Bi 12 SiO 20 (BSO) single crystal was grown on board of the Chinese Spacecraft-Shenzhou No. 3. A cylindrical crystal, 10 mm in diameter and 40 mm in length, was obtained. The morphology of crystals is significantly different for ground- and space-grown portions. The space- and ground-grown crystals have been characterized by Ce concentration distribution, X-ray rocking curve absorption spectrum and micro-Raman spectrum. The results show that the quality of Ce-doped BSO crystal grown in space is more homogeneous and more perfect than that of ground grown one

Compact TXRF system using doubly curved crystal optics

International Nuclear Information System (INIS)

Chen, Z.W.

2000-01-01

Doubly curved crystal optics can provide large collection solid angle from a small x-ray source but were difficult to be fabricated in the past. The recent innovative doubly curved crystal optic technology provides accurate bending figure of thin crystal and produces high performance doubly curved crystal optics. The high quality doubly curved crystal can increase the intensity of the primary beam significantly for total reflection x-ray fluorescence application based on a low power x-ray source. In this report, toroidal Si(220) crystals are used to focused Cu Kα and Mo Kα x-rays from low power compact x-ray tubes that have maximum power setting at 50 kV and 1 mA. With a slit aperture to control the convergent angle, a fan Cu Kα1 beam with 15 degree x 0.2 degree convergent angles is obtained for TXRF excitation. Similarly, a fan Mo Kα1 beam with 6 degree x 0.1 degree convergent angles is used for high energy excitation. Si wafer based TXRF samples will be prepared and measured using this technique and the experimental data. (author)

What is an ‘ideally imperfect’ crystal? Is kinematical theory appropriate?

Energy Technology Data Exchange (ETDEWEB)

Fewster, Paul F., E-mail: paul.fewster@panalytical.com [Sussex Innovation Centre, Science Park Square, Brighton, East Sussex BN1 9SB (United Kingdom)

2016-01-01

The diffraction from imperfect crystals and the applicability of kinematical theory are described. Most materials are crystalline because atoms and molecules tend to form ordered arrangements, and since the interatomic distances are comparable with the wavelength of X-rays, their interaction creates diffraction patterns. The intensity in these patterns changes with crystal quality. Perfect crystals, e.g. semiconductors, fit well to dynamical theory, whereas crystals that reveal the stereochemistry of complex biological molecules, the structure of organic and inorganic molecules and powders are required to be fragmented (termed ‘ideally imperfect’) to justify the use of the simpler kinematical theory. New experimental results of perfect and imperfect crystals are interpreted with a fundamental description of diffraction, which does not need fragmented crystals but just ubiquitous defects. The distribution of the intensity is modified and can influence the interpretation of the patterns.

Modal gain and confinement factors in top- and bottom-emitting photonic-crystal VCSEL

International Nuclear Information System (INIS)

Czyszanowski, T; Thienpont, H; Panajotov, K; Dems, M

2008-01-01

We investigate the modal characteristics of a phosphide photonic-crystal vertical-cavity surface-emitting diode laser (VCSEL) by using the three-dimensional, full vectorial plane wave admittance method. A single-defect, photonic crystal is defined as a regular, hexagonal net of holes with varying depths. The modal gain and confinement factors are compared for two VCSEL structures: with emission either through the DBR with the photonic crystal or through the DBR free of photonic crystal. Significant improvement in the beam quality is demonstrated for the second design

Iron single crystal growth from a lithium-rich melt

Science.gov (United States)

Fix, M.; Schumann, H.; Jantz, S. G.; Breitner, F. A.; Leineweber, A.; Jesche, A.

2018-03-01

α -Fe single crystals of rhombic dodecahedral habit were grown from a Li84N12Fe∼3 melt. Crystals of several millimeter along a side form at temperatures around T ≈ 800 ° C. Upon further cooling the growth competes with the formation of Fe-doped Li3N. The b.c.c. structure and good sample quality of α -Fe single crystals were confirmed by X-ray and electron diffraction as well as magnetization measurements and chemical analysis. A nitrogen concentration of 90 ppm was detected by means of carrier gas hot extraction. Scanning electron microscopy did not reveal any sign of iron nitride precipitates.

Filtering of elastic waves by opal-based hypersonic crystal.

Science.gov (United States)

Salasyuk, Alexey S; Scherbakov, Alexey V; Yakovlev, Dmitri R; Akimov, Andrey V; Kaplyanskii, Alexander A; Kaplan, Saveliy F; Grudinkin, Sergey A; Nashchekin, Alexey V; Pevtsov, Alexander B; Golubev, Valery G; Berstermann, Thorsten; Brüggemann, Christian; Bombeck, Michael; Bayer, Manfred

2010-04-14

We report experiments in which high quality silica opal films are used as three-dimensional hypersonic crystals in the 10 GHz range. Controlled sintering of these structures leads to well-defined elastic bonding between the submicrometer-sized silica spheres, due to which a band structure for elastic waves is formed. The sonic crystal properties are studied by injection of a broadband elastic wave packet with a femtosecond laser. Depending on the elastic bonding strength, the band structure separates long-living surface acoustic waves with frequencies in the complete band gap from bulk waves with band frequencies that propagate into the crystal leading to a fast decay.

Thermochemolysis: A New Sample Preparation Approach for the Detection of Organic Components of Complex Macromolecules in Mars Rocks via Gas Chromatography Mass Spectrometry in SAM on MSL

Science.gov (United States)

Eugenbrode, J.; Glavin, D.; Dworkin, J.; Conrad, P.; Mahaffy, P.

2011-01-01

Organic chemicals, when present in extraterrestrial samples, afford precious insight into past and modern conditions elsewhere in the Solar System . No single technology identifies all molecular components because naturally occurring molecules have different chemistries (e.g., polar vs. non-polar, low to high molecular weight) and interface with the ambient sample chemistry in a variety of modes (i.e., organics may be bonded, absorbed or trapped by minerals, liquids, gases, or other organics). More than 90% of organic matter in most natural samples on Earth and in meteorites is composed of complex macromolecules (e.g. biopolymers, complex biomolecules, humic substances, kerogen) because the processes that tend to break down organic molecules also tend towards complexation of the more recalcitrant components. Thus, methodologies that tap the molecular information contained within macromolecules may be critical to detecting extraterrestrial organic matter and assessing the sources and processes influencing its nature.

Experimental study of micro-milling mechanism and surface quality of a nickel-based single crystal superalloy

Energy Technology Data Exchange (ETDEWEB)

Gao, Qi; Gong, Yadong; Zhou, Yun Guang; Wen, Xue Long [School of Mechanical Engineering and Automation, Northeastern University, Shenyang (China)

2017-01-15

Micro-milling is widely used as a method for machining of micro-parts with high precision and efficiency. Taking the nickel-based single-crystal superalloy DD98 as the research object, the crystal characteristics of single-crystal materials were analysed, and the removal mechanism of single-crystal micro-milled parts was described. Based on molecular dynamics, a simulation model for nickel-based single-crystal superalloy DD98 micro-milling was established. Based on the response surface method of central composite design, the influences of spindle speed, feed rate, and milling depth on the surface roughness were examined, and a second-order regression model of the DD98 surface roughness was established. Using analysis of variance and the residuals of the model, a significant influence on surface roughness was found in the following order from large to small: Feed rate, spindle speed, and milling depth. Comparisons were conducted between the micro-milling experimental values and the predicted model values for different process parameters. The results show that the model fit is relatively high, and the adaptability is good. Scanning electron microscopy analysis of the micro-milling surfaces was performed to verify the slip and the removal mechanism of single-crystal materials. These results offer a theoretical reference and experimental basis for micro-milling of single-crystal materials.

Macromolecular Crystal Growth by Means of Microfluidics

Science.gov (United States)

vanderWoerd, Mark; Ferree, Darren; Spearing, Scott; Monaco, Lisa; Molho, Josh; Spaid, Michael; Brasseur, Mike; Curreri, Peter A. (Technical Monitor)

2002-01-01

We have performed a feasibility study in which we show that chip-based, microfluidic (LabChip(TM)) technology is suitable for protein crystal growth. This technology allows for accurate and reliable dispensing and mixing of very small volumes while minimizing bubble formation in the crystallization mixture. The amount of (protein) solution remaining after completion of an experiment is minimal, which makes this technique efficient and attractive for use with proteins, which are difficult or expensive to obtain. The nature of LabChip(TM) technology renders it highly amenable to automation. Protein crystals obtained in our initial feasibility studies were of excellent quality as determined by X-ray diffraction. Subsequent to the feasibility study, we designed and produced the first LabChip(TM) device specifically for protein crystallization in batch mode. It can reliably dispense and mix from a range of solution constituents into two independent growth wells. We are currently testing this design to prove its efficacy for protein crystallization optimization experiments. In the near future we will expand our design to incorporate up to 10 growth wells per LabChip(TM) device. Upon completion, additional crystallization techniques such as vapor diffusion and liquid-liquid diffusion will be accommodated. Macromolecular crystallization using microfluidic technology is envisioned as a fully automated system, which will use the 'tele-science' concept of remote operation and will be developed into a research facility for the International Space Station as well as on the ground.

Vectorial analysis of dielectric photonic crystal VCSEL

DEFF Research Database (Denmark)

Chung, Il-Sug; Mørk, Jesper

2009-01-01

A new vertical-cavity surface-emitting laser structure employing a dielectric photonic crystal mirror has been suggested and been numerically investigated. The new structure has a smaller threshold gain, a moderate strength of single-transverse-mode operation, a high quality of emission beam free...

De novo DESIGN AND SYNTHESIS OF AN ICE-BINDING, DENDRIMERIC, POLYPEPTIDE BASED ON INSECT ANTIFREEZE PROTEINS

Directory of Open Access Journals (Sweden)

Ricardo Vera Bravo

2011-12-01

Full Text Available A new strategy is presented for the designand synthesis of peptides that exhibitice-binding and antifreeze activity. Apennant-type dendrimer polypeptidescaffold combining an α-helical backbonewith four short β-strand branches wassynthesized in solid phase using Fmocchemistry in a divergent approach. The51-residue dendrimer was characterizedby reverse phase high performance liquidchromatography, mass spectrometry andcircular dichroism. Each β-strand branchcontained three overlapping TXT aminoacid repeats, an ice-binding motif foundin the ice-binding face of the sprucebudworm (Choristoneura fumiferanaand beetle (Tenebrio molitor antifreezeproteins. Ice crystals in the presence ofthe polypeptide monomer displayed flat,hexagonal plate morphology, similar tothat produced by weakly active antifreezeproteins. An oxidized dimeric form of thedendrimer polypeptide also produced flathexagonal ice crystals and was capableof inhibiting ice crystal growth upontemperature reduction, a phenomenontermed thermal hysteresis, a definingproperty of antifreeze proteins. Linkageof the pennant-type dendrimer to a trifunctionalcascade-type polypeptideproduced a trimeric macromolecule thatgave flat hexagonal ice crystals withhigher thermal hysteresis activity thanthe dimer or monomer and an ice crystal burst pattern similar to that producedby samples containing insect antifreezeproteins. This macromolecule was alsocapable of inhibiting ice recrystallization.

Sub-terahertz resonance spectroscopy of biological macromolecules and cells

Science.gov (United States)

Globus, Tatiana; Moyer, Aaron; Gelmont, Boris; Khromova, Tatyana; Sizov, Igor; Ferrance, Jerome

2013-05-01

Recently we introduced a Sub-THz spectroscopic system for characterizing vibrational resonance features from biological materials. This new, continuous-wave, frequency-domain spectroscopic sensor operates at room temperature between 315 and 480 GHz with spectral resolution of at least 1 GHz and utilizes the source and detector components from Virginia Diode, Inc. In this work we present experimental results and interpretation of spectroscopic signatures from bacterial cells and their biological macromolecule structural components. Transmission and absorption spectra of the bacterial protein thioredoxin, DNA and lyophilized cells of Escherichia coli (E. coli), as well as spores of Bacillus subtillis and B. atrophaeus have been characterized. Experimental results for biomolecules are compared with absorption spectra calculated using molecular dynamics simulation, and confirm the underlying physics for resonance spectroscopy based on interactions between THz radiation and vibrational modes or groups of modes of atomic motions. Such interactions result in multiple intense and narrow specific resonances in transmission/absorption spectra from nano-gram samples with spectral line widths as small as 3 GHz. The results of this study indicate diverse relaxation dynamic mechanisms relevant to sub-THz vibrational spectroscopy, including long-lasting processes. We demonstrate that high sensitivity in resolved specific absorption fingerprints provides conditions for reliable detection, identification and discrimination capability, to the level of strains of the same bacteria, and for monitoring interactions between biomaterials and reagents in near real-time. Additionally, it creates the basis for the development of new types of advanced biological sensors through integrating the developed system with a microfluidic platform for biomaterial samples.

On macromolecular refinement at subatomic resolution with interatomic scatterers

Energy Technology Data Exchange (ETDEWEB)

Afonine, Pavel V., E-mail: pafonine@lbl.gov; Grosse-Kunstleve, Ralf W.; Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States); Lunin, Vladimir Y. [Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino 142290 (Russian Federation); Urzhumtsev, Alexandre [IGMBC, 1 Rue L. Fries, 67404 Illkirch and IBMC, 15 Rue R. Descartes, 67084 Strasbourg (France); Faculty of Sciences, Nancy University, 54506 Vandoeuvre-lès-Nancy (France); Lawrence Berkeley National Laboratory, One Cyclotron Road, BLDG 64R0121, Berkeley, CA 94720 (United States)

2007-11-01

Modelling deformation electron density using interatomic scatters is simpler than multipolar methods, produces comparable results at subatomic resolution and can easily be applied to macromolecules. A study of the accurate electron-density distribution in molecular crystals at subatomic resolution (better than ∼1.0 Å) requires more detailed models than those based on independent spherical atoms. A tool that is conventionally used in small-molecule crystallography is the multipolar model. Even at upper resolution limits of 0.8–1.0 Å, the number of experimental data is insufficient for full multipolar model refinement. As an alternative, a simpler model composed of conventional independent spherical atoms augmented by additional scatterers to model bonding effects has been proposed. Refinement of these mixed models for several benchmark data sets gave results that were comparable in quality with the results of multipolar refinement and superior to those for conventional models. Applications to several data sets of both small molecules and macromolecules are shown. These refinements were performed using the general-purpose macromolecular refinement module phenix.refine of the PHENIX package.

Near-diffraction-limited and low-haze electro-optical tunable liquid crystal lens with floating electrodes.

Science.gov (United States)

Li, Liwei; Bryant, Doug; Van Heugten, Tony; Bos, Philip J

2013-04-08

A near-diffraction-limited, low-haze and tunable liquid crystal (LC) lens is presented. Building on an understanding of the key factors that have limited the performance of lenses based on liquid crystals, we show a simple design whose optical quality is similar to a high quality glass lens. It uses 'floating' electrodes to provide a smooth, controllable applied potential profile across the aperture to manage the phase profile.

CCDC 1048727: Experimental Crystal Structure Determination : bis(2-(hydroxyimino)propanoato)-tin(ii)

KAUST Repository

Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah; Rothenberger, Alexander

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1515632: Experimental Crystal Structure Determination : hexakis(dimethyl sulfoxide)-manganese(ii) tetraiodide

KAUST Repository

Haque, M.A.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1429311: Experimental Crystal Structure Determination : N-(5-Bromoquinolin-8-yl)benzamide

KAUST Repository

Xu, Jun; Shen, Chao; Zhu, Xiaolei; Zhang, Pengfei; Ajitha, Manjaly John; Huang, Kuo-Wei; An, Zhongfu; Liu, Xiaogang

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1427126: Experimental Crystal Structure Determination : bis(1,10-Phenanthroline)-copper pentafluoropropanoate

KAUST Repository

Huang, Yangjie

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Growth of methyl 2-(2,4-dinitrophenyl)aminopropanoate single crystals

Science.gov (United States)

Perigaud, A.; Nicolau, Y. F.

1986-12-01

Methyl 2-(2,4-dinitrophenyl)aminopropanoate single crystals, 1 cm in diameter and 7 cm in length have been grown by a travelling-heater-Bridgman method in polyethylene tubes introduced into glass ampoules, at a growth rate of 1.5-6 mm/day. The starting material was synthesised and purified by recrystallization from methanol and by vacuum evaporation to a purity of 99.994%. The period of growth, and hence the length of the crystal, is limited due to melt decomposition and polycondensation. The b-axis of the crystals is always oriented at about 72° to the ampoule axis. Good quality single crystals have been obtained giving a FWHM of the Cu Kα (040) rocking curve of about 1'.

Fabrication and Characterization of Three Dimensional Photonic Crystals Generated by Multibeam Interference Lithography

Science.gov (United States)

Chen, Ying-Chieh

2009-01-01

Multibeam interference lithography is investigated as a manufacturing technique for three-dimensional photonic crystal templates. In this research, optimization of the optical setup and the photoresist initiation system leads to a significant improvement of the optical quality of the crystal, as characterized by normal incidence optical…

Commensurability oscillations in NdBa2Cu3Oy single crystals

Indian Academy of Sciences (India)

gated by angular dependent magnetization in very pure twinned and twin-free NdBa2 Cu3 Oy single ... The layered structure and the c-axis coherence length, ξc ≈ 4 ˚A, smaller than the lattice ... The high quality of both crystals is demonstrated by ... Commensurability oscillations in NdBa2Cu3Oy single crystals. 2. 3. 4. 5. 6.

Preventing Crystal Agglomeration of Pharmaceutical Crystals Using Temperature Cycling and a Novel Membrane Crystallization Procedure for Seed Crystal Generation

Directory of Open Access Journals (Sweden)

Elena Simone

2018-01-01

Full Text Available In this work, a novel membrane crystallization system was used to crystallize micro-sized seeds of piroxicam monohydrate by reverse antisolvent addition. Membrane crystallization seeds were compared with seeds produced by conventional antisolvent addition and polymorphic transformation of a fine powdered sample of piroxicam form I in water. The membrane crystallization process allowed for a consistent production of pure monohydrate crystals with narrow size distribution and without significant agglomeration. The seeds were grown in 350 g of 20:80 w/w acetone-water mixture. Different seeding loads were tested and temperature cycling was applied in order to avoid agglomeration of the growing crystals during the process. Focused beam reflectance measurement (FBRM; and particle vision and measurement (PVM were used to monitor crystal growth; nucleation and agglomeration during the seeded experiments. Furthermore; Raman spectroscopy was used to monitor solute concentration and estimate the overall yield of the process. Membrane crystallization was proved to be the most convenient and consistent method to produce seeds of highly agglomerating compounds; which can be grown via cooling crystallization and temperature cycling.

Growth and characterization of unidirectional benzil single crystal for photonic applications

Science.gov (United States)

Saranraj, A.; Thirupathy, J.; Dhas, S. Sahaya Jude; Jose, M.; Vinitha, G.; Dhas, S. A. Martin Britto

2018-06-01

Organic nonlinear optical benzil single crystal of fine quality with the dimensions of 168 × 14 mm2 was successfully grown in (100) plane from saturated solution by unidirectional SR method. The structural identity of the grown crystal was confirmed by powder XRD. High-resolution X-ray diffraction analysis indicates the crystalline perfection of the grown benzil crystal. The optical analysis was carried out by UV-visible spectroscopy which shows that the benzil crystal's cut off wavelength is 437 nm. The dielectric constant and dielectric loss of benzil crystal are found to be very much depending upon temperature and frequency. Ferroelectric nature of grown crystal was identified by P- E hysteresis analysis and to find the values of spontaneous polarization and coercive field. The laser damage threshold energy was studied with the help of Nd:YAG laser. The presence of third harmonic generation was identified by z-scan techniques.

Macromolecule simulation and CH{sub 4} adsorption mechanism of coal vitrinite

Energy Technology Data Exchange (ETDEWEB)

Yu, Song, E-mail: songyu10094488@126.com [School of Resources and Earth Science, China University of Mining & Technology, Xuzhou 221116 (China); Key Laboratory of Coal bed Methane Resource & Reservoir Formation Process, Ministry of Education, Xuzhou 221008 (China); Yan-ming, Zhu; Wu, Li [School of Resources and Earth Science, China University of Mining & Technology, Xuzhou 221116 (China); Key Laboratory of Coal bed Methane Resource & Reservoir Formation Process, Ministry of Education, Xuzhou 221008 (China)

2017-02-28

Highlights: • Molecular model of single maceral vitrinite was obtained by {sup 13}C NMR, FT IR and HRTEM. • An optimal configuration was obtained through calculation of MM and MD. • The adsorption parameters for methane and vitrinite were determined with DFT and GCMC. - Abstract: The microscopic mechanism of interactions between CH{sub 4} and coal macromolecules is of significant practical and theoretical importance in CBM development and methane storage. Under periodic boundary conditions, the optimal energy configuration of coal vitrinite, which has a higher torsion degree and tighter arrangement, can be determined by the calculation of molecular mechanics (MM) and molecular dynamics (MD), and annealing kinetics simulation based on ultimate analysis, {sup 13}C NMR, FT IR and HRTEM. Macromolecular stabilization is primarily due to the van der Waals energy and covalent bond energy, mainly consisting of bond torsion energy and bond angle energy. Using the optimal configuration as the adsorbent, GCMC simulation of vitrinite adsorption of CH{sub 4} is conducted. A saturated state is reached after absorbing 17 CH{sub 4}s per coal vitrinite molecule. CH{sub 4} is preferentially adsorbed on the edge, and inclined to gathering around the branched chains of the inner vitrinite sites. Finally, the adsorption parameters are calculated through first principle DFT. The adsorbability order is as follows: aromatic structure> heteroatom rings > oxygen functional groups. The adsorption energy order is as follows: Top < Bond < Center, Up < Down. The order of average RDF better reflects the adsorption ability and that of [-COOH] is lower than those of [−C=O] and [C−O−C]. CH{sub 4} distributed in the distance of 0.99–16 Å to functional groups in the type of monolayer adsorption and the average distance order manifest as [−C=O] (1.64 Å) < [C−O−C] (1.89 Å) < [−COOH] (3.78 Å) < [-CH{sub 3}] (4.11 Å) according to the average RDF curves. CH{sub 4} enriches

Control of Process Operations and Monitoring of Product Qualities through Generic Model-based Framework in Crystallization Processes

DEFF Research Database (Denmark)

Abdul Samad, Noor Asma Fazli Bin

A generic and systematic model-based framework for the design of a process monitoring and control system to achieve the desired crystal size distribution (CSD) and crystal shape for a wide range of crystallization processes has been developed. This framework combines a generic multi-dimensional m...

Light-Induced Tellurium Enrichment on CdZnTe Crystal Surfaces Detected by Raman Spectroscopy

International Nuclear Information System (INIS)

Hawkins, Samantha A.; Villa-Aleman, Eliel; Duff, Martine C.; Hunter, Doug B.; Burger, Arnold; Groza, Michael; Buliga, Vladimir; Black, David R.

2008-01-01

CdZnTe (CZT) crystals can be grown under controlled conditions to produce high-quality crystals to be used as room-temperature radiation detectors. Even the best crystal growth methods result in defects, such as tellurium secondary phases, that affect the crystal's performance. In this study, CZT crystals were analyzed by micro-Raman spectroscopy. The growth of Te rich areas on the surface was induced by low-power lasers. The growth was observed versus time with low-power Raman scattering and was observed immediately under higher-power conditions. The detector response was also measured after induced Te enrichment.

Nano crystals-Related Synthesis, Assembly, and Energy Applications

International Nuclear Information System (INIS)

Dai, Q.; Hu, M.Z.; Yu, B.Z.; William, W.; Seo, J.

2011-01-01

Fundamental material properties have been dramatically altered in the nano scale regime because of quantum confinement effect. The unique size-tunable functionalities of nano materials make them involved in an extensive variety of energy applications, such as light-emitting diodes and solar cells. These applications have been demonstrated to cut energy consumption. In response to the ever-growing energy demands as well as the concerns of global warming, researchers are actively placing their enormous emphasis on the exploration of energy savings. During this exploration, the primary stage requires the design of appropriate strategies for the synthesis of high-quality nano crystals in terms of size uniformity and superior optical/electronic properties. Especially, there is a need to seek green-chemistry approaches for the synthesis of environmentally benign and user-friendly nano crystals. Another recent area of focus is the use of individual nano crystals as building blocks for self-assembly, providing new opportunities to improve the nano crystal performance

Effect of Te atmosphere annealing on the properties of CdZnTe single crystals

International Nuclear Information System (INIS)

Yu Pengfei; Jie Wanqi; Wang Tao

2011-01-01

Low-resistivity CdZnTe:In (CZT:In) single crystals were annealed under Te atmosphere according to the behaviors of deep-donor Te antisite. The results indicated that the star-like Cd inclusions were completely eliminated after 120 h annealing. Meanwhile, the resistivity is greatly enhanced. The resistivity of the slice annealed after 240 h was achieved as high as 1.8x10 11 Ω cm, five orders of magnitude higher than that of as-grown slice. It suggested that the deep-donor level Te antisites were successfully introduced to pin the Fermi level at the mid band-gap position. The IR transmittances of the slices were also improved, which increased as the annealing time increased. PL measurement revealed that the (D 0 ,X) peak representing high quality of CZT crystal appeared. It can be concluded that the quality of CZT crystals is obviously improved after annealing under Te atmosphere. - Highlights: → High resistivity is due to deep-donor level Te Cd . → The resistivity achieved was as high as 1.8x10 11 Ω cm. → Star-like inclusions are Cd inclusions. → (D 0 ,X) peak represents the improvement of the crystal quality.

Influence of in-situ deposited SiNx interlayer on crystal quality of GaN epitaxial films

Science.gov (United States)

Fan, Teng; Jia, Wei; Tong, Guangyun; Zhai, Guangmei; Li, Tianbao; Dong, Hailiang; Xu, Bingshe

2018-05-01

GaN epitaxial films with SiNx interlayers were prepared by metal organic chemical vapor deposition (MOCVD) on c-plane sapphire substrates. The influences of deposition times and locations of SiNx interlayers on crystal quality of GaN epitaxial films were studied. Under the optimal growth time of 120 s for the SiNx interlayer, the dislocation density of GaN film is reduced to 4.05 × 108 cm-2 proved by high resolution X-ray diffraction results. It is found that when the SiNx interlayer deposits on the GaN nucleation islands, the subsequent GaN film has the lowest dislocation density of only 2.89 × 108 cm-2. Moreover, a model is proposed to illustrate the morphological evolution and associated propagation processes of TDs in GaN epi-layers with SiNx interlayers for different deposition times and locations.

Capillary crystallization and molecular-replacement solution of haemoglobin II from the clam Lucina pectinata

International Nuclear Information System (INIS)

Gavira, José A.; Jesus, Walleska de; Camara-Artigas, Ana; López-Garriga, Juan; García-Ruiz, Juan M.

2006-01-01

The haemoglobin II from the clam L. pectinata has been crystallized using counter-diffusion in single capillary in the presence of agarose to improve crystal quality. Initial phases have been obtained by molecular replacement. Haemoglobin II is one of three haemoglobins present in the cytoplasm of the Lucina pectinata mollusc that inhabits the Caribbean coast. Using HBII purified from its natural source, crystallization screening was performed using the counter-diffusion method with capillaries of 0.2 mm inner diameter. Crystals of HbII suitable for data collection and structure determination were grown in the presence of agarose at 0.1%(w/v) in order to improve their quality. The crystals belong to the tetragonal space group P4 2 2 1 2, with unit-cell parameters a = b = 73.92, c = 152.35 Å, and diffracted X-rays to a resolution of better than 2.0 Å. The asymmetric unit is a homodimer with a corresponding Matthews coefficient (V M ) of 3.15 Å 3 Da −1 and a solvent content of 61% by volume

Analysis of Study Trend of Growth and Characterization of CdZnTe Single Crystal

International Nuclear Information System (INIS)

Lee, Kyu Hong; Ha, Jang Ho; Kim, Han Soo

2011-05-01

CdZnTe (CZT) alloys are very important semiconducting compounds due to their use in several strategic applications in medical, space, and security devices, especially, radiation detector. Specific problems of the bulk crystal growth are still to be solved. However, since industries require excellent bulk CZT crystals, a strong effort is being organized worldwide to optimize the growth process and obtain better material. This report presents the study trend of the bulk CZT crystal growth and characteristics. After the first section where the problems connected to the complicated phase diagram of CZT are presented, the second section describes the various general physical and chemical properties, together with the compensation problems of the CZT material. In the third section, various growth methods are described, paying attention to the defects generated in the different cases. Further, the annealing process which is an essential step for improving the crystal quality is described. In the last section, the general material characterization methods are presented, as a scientific approach for assessing the quality of the bulk crystal

Monomial Crystals and Partition Crystals

Science.gov (United States)

Tingley, Peter

2010-04-01

Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

Effect of α-tocopherol, butylated-hydroxytoluene and hydroxy-anisole on the activation and binding of aflatoxin B1 to macromolecules

International Nuclear Information System (INIS)

Ch'ih, J.J.; Biedrzycka, D.; Devlin, T.M.

1987-01-01

The anti-oxidants, α-tocopherol(TPA), butylated-hydroxy-toluene(BHT) and hydroxyanisole(BHA) inhibit the carcinogenic and toxic effects of a variety of chemical compounds, their effect on aflatoxin B 1 (AFB 1 ) activation and binding was examined utilizing rat liver microsomes and cells. With a NADPH generating system, oxygen, microsomes, [ 3 H]-AFB 1 , 2.2 pmoles/h/mg protein was activated and bound to macromolecules. In hepatocytes, 3.4 and 1.4 pmoles of AFB 1 per 10 6 cells were taken up and bound to macromolecules, whereas the nucleic acid fraction contained 0.19 pmoles of bound AFB 1 . Moderate decreases of AFB 1 activation and binding were observed when TPA was present in both cell-free and hepatocytes systems. Only in hepatocytes, BHT inhibited the AFB 1 uptake and binding to nucleic acids. BHA, however, inhibited microsomal activation of AFB 1 by 73%; maximum inhibition was reached at 1 mM. AFB 1 uptake, and binding to nucleic acids were inhibited by 65% and 79% by BHA. GSH-transferase activity of cells treated with these agents was not altered. The effect of BHA at various concentrations on AFB activation was compared with cytochrome P-450 inhibitors; the ED 50 of SKF 525A, BHA and metyrapone was 9 uM, 80 uM and 380 uM respectively. The data suggest that TPA, BHA and BHT exert their effect by different mechanisms

Membrane crystallization for recovery of salts from produced water

DEFF Research Database (Denmark)

Quist-Jensen, Cejna Anna; Jensen, Henriette Casper; Ali, Aamer

Membrane Crystallization (MCr) is a novel technology able to recover freshwater and high-purity salts from complex solutions and therefore, is suggested for a better exploitation of wastewater streams. Unlike other membrane processes, MCr is not limited by high concentrations and, therefore, the ......, the membrane maintained its hydrophobic nature despite that produced water contained oil residues. Conductivity and HPLC was utilized to analyze the quality of the permeate stream......., the solutions can be treated to achieve saturation level. Hereby different salts can be precipitated and directly recovered from various streams. In this study, it is shown that MCr is able to treat produced water by producing clean water and simultaneously NaCl crystals. The recovered crystals exhibited high...

Water-resistance of macromolecules adsorbed on CH3NH3PbI3 surfaces: A first-principles study

Science.gov (United States)

Chen, Po-Tuan; Yung, Tung-Yuan; Liu, Ting-Yu; Sher, Chin-Wei; Hayashi, Michitoshi

2017-10-01

Encapsulation within resin films is a promising approach for isolating perovskite materials from water. To gain fundamental insight into these systems, we performed first-principles calculations of macromolecule (polymerized siloxane; epoxy cured by phthalic anhydride; graphene sheet) coatings for the waterproofing of methylammonium lead iodide perovskite (MAPbI3) surfaces. Our calculations reveal that alternating attractive/resistant functional groups on the siloxane- or epoxy-modified MAPbI3 surfaces hinder the water diffusion process. Moreover, we examined a no-defect graphene sheet for its ability to isolate MAPbI3 from water molecules. The hydrophobicity of the graphene resulted in water molecules forming clusters, rather than dispersing, upon the sheet.

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

International Nuclear Information System (INIS)

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

2016-01-01

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. (paper)

Crystal growth and characterization of REFeAsO (RE = La, Nd) and LaFePO

Energy Technology Data Exchange (ETDEWEB)

Adamski, Agnes; Abdel-Hafiez, Mahmoud; Krellner, Cornelius [Physikalisches Institut, Goethe Universitaet, D-60438 Frankfurt am Main (Germany)

2016-07-01

Since the discovery of iron-based superconductors, much effort was put on the crystal growth of the various systems and their characterization. Although, the initial flurry of activities was mainly performed on the 1111 systems, the focus has been rapidly shifted towards other materials, were large high-quality crystals are available. In contrast, the growth of sizeable high-quality single crystals of 1111 compounds is extremely challenging, slowing down the scientific progress in this type of compounds. Here we report on the crystal growth of 1111-type materials under ambient pressure conditions and by using the flux technique. The influence of the material to flux ratio was systematically studied. Subsequently, the obtained samples were analyzed with powder diffractometry, electron microscope, energy dispersive X-ray analysis, Laue diffractometry and magnetic measurements to analyze the structural and magnetic properties.

Metal Halide Perovskite Single Crystals: From Growth Process to Application

Directory of Open Access Journals (Sweden)

Shuigen Li

2018-05-01

Full Text Available As a strong competitor in the field of optoelectronic applications, organic-inorganic metal hybrid perovskites have been paid much attention because of their superior characteristics, which include broad absorption from visible to near-infrared region, tunable optical and electronic properties, high charge mobility, long exciton diffusion length and carrier recombination lifetime, etc. It is noted that perovskite single crystals show remarkably low trap-state densities and long carrier diffusion lengths, which are even comparable with the best photovoltaic-quality silicon, and thus are expected to provide better optoelectronic performance. This paper reviews the recent development of crystal growth in single-, mixed-organic-cation and fully inorganic halide perovskite single crystals, in particular the solution approach. Furthermore, the application of metal hybrid perovskite single crystals and future perspectives are also highlighted.

Development of a Prototype System for Archiving Integrative/Hybrid Structure Models of Biological Macromolecules.

Science.gov (United States)

Vallat, Brinda; Webb, Benjamin; Westbrook, John D; Sali, Andrej; Berman, Helen M

2018-04-09

Essential processes in biology are carried out by large macromolecular assemblies, whose structures are often difficult to determine by traditional methods. Increasingly, researchers combine measured data and computed information from several complementary methods to obtain "hybrid" or "integrative" structural models of macromolecules and their assemblies. These integrative/hybrid (I/H) models are not archived in the PDB because of the absence of standard data representations and processing mechanisms. Here we present the development of data standards and a prototype system for archiving I/H models. The data standards provide the definitions required for representing I/H models that span multiple spatiotemporal scales and conformational states, as well as spatial restraints derived from different experimental techniques. Based on these data definitions, we have built a prototype system called PDB-Dev, which provides the infrastructure necessary to archive I/H structural models. PDB-Dev is now accepting structures and is open to the community for new submissions. Copyright © 2018 Elsevier Ltd. All rights reserved.

Antioxidant, antimicrobial, cell viability and enzymatic inhibitory of antioxidant polymers as biological macromolecules.

Science.gov (United States)

Hashemi Gahruie, Hadi; Niakousari, Mehrdad

2017-11-01

Polymeric antioxidants such as Catechinaldehyde Polycondensates, Catechin-acelaldehydepolycondensates, Flavonoid-grafted chitosan fibers, Ferulate hydrogel, Dextran ferulate hydrogel, Starch-quercetin conjugate, Gallic acid- and Caffeic acid-functionalized chitosan, Gallic acid - chitosan conjugate, Poly(rutin), Gallic acid grafted chitosan, Dextran-Catechin Conjugate belong to biological macromolecules. These kinds of compounds have stronger antioxidant potential and pharmacokinetic activities, as compared to similar low molecular weight preservatives. Most of these compounds sources are either antioxidants with low molecules polymerization, or polymers conjugation such as synthetic or natural preservatives. Additives are well known as being an important ingredient of food products due to their strong preservative potential. Many researchers and industries attempt to find synthesize materials with the same antioxidant potential and higher stability than the similar compounds with low molecular weight. Recently, macromolecular antioxidants have received wide attention as food additives and dietary supplements in functional foods. It seems that the main usage of these compounds is in the food packaging industry. Most of these compounds have strong antioxidant, antimicrobial, cell viability and enzymatic inhibitory properties. Copyright © 2017 Elsevier B.V. All rights reserved.

Tailoring of silicon crystals for relativistic-particle channeling

International Nuclear Information System (INIS)

Guidi, V.; Antonini, A.; Baricordi, S.; Logallo, F.; Malagu, C.; Milan, E.; Ronzoni, A.; Stefancich, M.; Martinelli, G.; Vomiero, A.

2005-01-01

In the last years, the research on channeling of relativistic particles has progressed considerably. A significant contribution has been provided by the development of techniques for quality improvement of the crystals. In particular, a planar etching of the surfaces of the silicon crystals proved useful to remove the superficial layer, which is a region very rich in imperfections, in turn leading to greater channeling efficiency. Micro-fabrication techniques, borrowed from silicon technology, may also be useful: micro-indentation and deposition of tensile or compressive layers onto silicon samples allow one to impart an even curvature to the samples. In this way, different topologies may be envisaged, such as a bent crystal for deflection of protons and ions or an undulator to force coherent oscillations of positrons and electrons

Mechanism of band-edge luminescence in cuprous iodide single crystals

International Nuclear Information System (INIS)

Gao, Pan; Gu, Mu; Liu, Xi; Liu, Bo; Zheng, Yan-Qing; Shi, Er-Wei; Shi, Jun-Yan; Zhang, Guo-bin

2014-01-01

Highlights: • The luminescence properties of CuI crystals are influenced by the quality of the as-grown crystals. • The emission peaks of free-exciton and bound-exciton are observed in the CuI single crystals. • The ultrafast component luminescence is warranted to the donor-acceptor pair recombination. • The exciton absorption and electron excitation multiplication processes were observed in CuI. - Abstract: The photoluminescence spectra of CuI crystals using synchrotron radiation as an excitation light source were obtained at 60 K. The emission peaks at 405, 415, 420 and 443 nm were observed. The possible origins of these peaks were discussed by the temperature dependence of luminescence spectra for CuI material. Meanwhile, the photoluminescence spectra of CuI powder with different excitation intensity were measured and the ultrafast luminescence component of CuI crystals was warranted to be attributed to the recombination of donor acceptor pair. Furthermore, the excitation process was studied by measuring the photoluminescence excitation spectra of CuI crystals and powder

Growth and characterisation of lead iodide single crystals

International Nuclear Information System (INIS)

Tonn, Justus

2012-01-01

The work in hand deals with the growth and characterisation of lead iodide (PbI 2 ) single crystals. PbI 2 is regarded as a promising candidate for low-noise X- and gamma ray detection at room temperature. Its benefits if compared to conventional materials like HgI 2 , CdTe, Si, or GaAs lie in a band gap energy of 2.32 eV, an excellent ability to absorb radiation, and a high electrical resistivity. For an application of PbI 2 as detector material the growth and characterisation of crystals with high chemical and structural quality is extremely challenging. In light of this, the effectiveness of zone purification of the PbI 2 used for crystal growth was confirmed by spectroscopic analysis. Furthermore, technological aspects during processing of purified PbI 2 were investigated. With the help of thermal analysis, a correlation was found between the degree of exposing the source material to oxygen from the air and the structural quality of the resulting crystals. A hydrogen treatment was applied to PbI 2 as an effective method for the removal of oxidic pollutions, which resulted in a significant reduction of structural defects like polytypic growth and stress-induced cracking. The growth of PbI 2 single crystals was, among others, carried out by the Bridgman-Stockbarger method. In this context, much effort was put on the investigation of influences resulting from the design and preparation of ampoules. For the first time, crystal growth of PbI 2 was also carried out by the Czochralski method. If compared to the Bridgman-Stockbarger method, the Czochralski technique allowed a significantly faster growth of nearly crack-free crystals with a reproducible predetermination of crystallographic orientation. By an optimised sample preparation of PbI 2 , surface orientations perpendicular to the usually cleaved (0001) plane were realised. It is now possible to determine the material properties along directions which were so far not accessible. Thus, for example, the ratio of

Mechanism of the superior mechanical strength of nanometer-sized metal single crystals revealed

KAUST Repository

Afify, N. D.

2013-10-01

Clear understanding of the superior mechanical strength of nanometer-sized metal single crystals is required to derive advanced mechanical components retaining such superiority. Although high quality studies have been reported on nano-crystalline metals, the superiority of small single crystals has neither been fundamentally explained nor quantified to this date. Here we present a molecular dynamics study of aluminum single crystals in the size range from 4.1 nm to 40.5 nm. We show that the ultimate mechanical strength deteriorates exponentially as the single crystal size increases. The small crystals superiority is explained by their ability to continuously form vacancies and to recover them. © 2013 Published by Elsevier B.V.

Seeded growth of boron arsenide single crystals with high thermal conductivity

Science.gov (United States)

Tian, Fei; Song, Bai; Lv, Bing; Sun, Jingying; Huyan, Shuyuan; Wu, Qi; Mao, Jun; Ni, Yizhou; Ding, Zhiwei; Huberman, Samuel; Liu, Te-Huan; Chen, Gang; Chen, Shuo; Chu, Ching-Wu; Ren, Zhifeng

2018-01-01

Materials with high thermal conductivities are crucial to effectively cooling high-power-density electronic and optoelectronic devices. Recently, zinc-blende boron arsenide (BAs) has been predicted to have a very high thermal conductivity of over 2000 W m-1 K-1 at room temperature by first-principles calculations, rendering it a close competitor for diamond which holds the highest thermal conductivity among bulk materials. Experimental demonstration, however, has proved extremely challenging, especially in the preparation of large high quality single crystals. Although BAs crystals have been previously grown by chemical vapor transport (CVT), the growth process relies on spontaneous nucleation and results in small crystals with multiple grains and various defects. Here, we report a controllable CVT synthesis of large single BAs crystals (400-600 μm) by using carefully selected tiny BAs single crystals as seeds. We have obtained BAs single crystals with a thermal conductivity of 351 ± 21 W m-1 K-1 at room temperature, which is almost twice as conductive as previously reported BAs crystals. Further improvement along this direction is very likely.

CCDC 963856: Experimental Crystal Structure Determination : catena-[bis(mu2-2-methylimidazole)-zinc

KAUST Repository

Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed

2014-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1477679: Experimental Crystal Structure Determination : (1,3-dimesitylimidazolidin-2-ylidene)-trimethyl-indium

KAUST Repository

Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; Garcí a, Felipe

2017-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1477678: Experimental Crystal Structure Determination : (1,3-dimesitylimidazolidin-2-ylidene)-trimethyl-gallium

KAUST Repository

Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; Garcí a, Felipe

2017-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1059905: Experimental Crystal Structure Determination : 7,13-dimesitylindeno[1,2-b]thioxanthene

KAUST Repository

Shi, Xueliang; Kueh, Weixiang; Zheng, Bin; Huang, Kuo-Wei; Chi, Chunyan

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 844302: Experimental Crystal Structure Determination : N-1-Naphthyl-P,P-diphenylphosphinoselenoic amide

KAUST Repository

Al-Masri, H.T.; Emwas, Abdul-Hamid M.; Al-Talla, Zeyad; Al Kordi, Mohamed

2012-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1010350: Experimental Crystal Structure Determination : dichloro-(methylenebis(di-t-butylphosphine))-palladium(ii)

KAUST Repository

Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 721713: Experimental Crystal Structure Determination : Dichloro-(ethyl phenylalaninate)-tris(pyridine)-ruthenium(ii)

KAUST Repository

Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jö rg

2013-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 713130: Experimental Crystal Structure Determination : bis(2,5-Dihydrobenzylammonium) hexachloro-osmium(iv)

KAUST Repository

Reiner, T.

2011-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1420581: Experimental Crystal Structure Determination : catena-[(mu-4,4'-sulfonyldibenzoato)-calcium ethylene

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1420582: Experimental Crystal Structure Determination : catena-[(mu-4,4'-sulfonyldibenzoato)-calcium ethane

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1420580: Experimental Crystal Structure Determination : catena-[(mu-4,4'-sulfonyldibenzoato)-calcium acetylene

KAUST Repository

Plonka, Anna M.

2016-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 1048729: Experimental Crystal Structure Determination : bis(2-(hydroxyimino)-3-phenylpropanoato)-tin(ii)

KAUST Repository

Khanderi, Jayaprakash

2015-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

UV detectors based on epitaxial diamond films grown on single-crystal diamond substrates by vapor-phase synthesis

International Nuclear Information System (INIS)

Sharonov, G.V.; Petrov, S.A.; Bol'shakov, A.P.; Ral'chenko, V.G.; Kazyuchits, N.M.

2010-01-01

The prospects for use of CVD-technology for epitaxial growth of single-crystal diamond films of instrumental quality in UHF plasma for the production of optoelectronic devices are discussed. A technology for processing diamond single crystals that provides a perfect surface crystal structure with roughness less than 0,5 nm was developed. It was demonstrated that selective UV detectors based on synthetic single-crystal diamond substrates coated with single-crystal films can be produced. A criterion for selecting clean and structurally perfect single crystals of synthetic diamond was developed for the epitaxial growth technology. (authors)

Crystal growth and characterization of CeFe{sub 1-x}Ru{sub x} PO

Energy Technology Data Exchange (ETDEWEB)

Balle, Tanita; Kliemt, Kristin; Krellner, Cornelius [Goethe Universitaet Frankfurt, Kristall- und Materiallabor (Germany)

2016-07-01

CeRuPO is a one of the few heavy fermion systems, which order ferromagnetically at low temperatures (T{sub C} = 15 K), because of dominant RKKY-interaction. CeFePO on the other hand shows no long-range magnetic order even at low temperatures because of dominant Kondo effect (T{sub K} = 10 K). By substituting CeFePO with ruthenium we can reach a quantum critical point, at which the RKKY-interaction and the Kondo effect are equally strong. To study the quantum critical point, and to enlighten the question if the order stays ferromagnetically down to lowest temperatures, high quality crystals are needed. Here, the growth and characterization of the single crystals will be discussed. We obtained mm-sized single crystals of the unsubstituted CeRuPO and CeFePO by a modified Bridgeman method using tin as a flux. The quality of the crystals was verified by Powder-X-Ray-Diffraction, energy dispersive X-ray spectroscopy and Laue backscattering.

Anomalous magnetotransport properties of high-quality single crystals of Weyl semimetal WTe2: Sign change of Hall resistivity

Science.gov (United States)

Jha, Rajveer; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Ribeiro, Raquel A.; Aoki, Yuji

2018-05-01

We report on a systematic study of Hall effect using high quality single crystals of type-II Weyl semimetal WTe2 with the applied magnetic field B//c. The residual resistivity ratio of 1330 and the large magnetoresistance of 1.5 × 106 % in 9 T at 2 K, being in the highest class in the literature, attest to their high quality. Based on a simple two-carrier model, the densities (ne and nh) and mobilities (μe and μh) for electron and hole carriers have been uniquely determined combining both Hall- and electrical-resistivity data. The difference between ne and nh is 1% at 2 K, indicating that the system is in an compensated condition. The negative Hall resistivity growing rapidly below 20 K is due to a rapidly increasing μh/μe approaching one. Below 3 K in a low field region, we found the Hall resistivity becomes positive, reflecting that μh/μe finally exceeds one in this region. These anomalous behaviors of the carrier densities and mobilities might be associated with the existence of a Lifshitz transition and/or the spin texture on the Fermi surface.

Growth and characterization of Sm3+ doped cerium oxalate single crystals

Directory of Open Access Journals (Sweden)

Minu Mary C

2016-07-01

Full Text Available Single crystals of Sm3+ doped cerium oxalate decahydrate were synthesized using single diffusion gel technique and the conditions influencing the size, morphology, nucleation density and quality of the crystals were optimized. Highly transparent single crystals of average size 3 mm × 2 mm × 1 mm with well-defined hexagonal morphology were grown during a time period of two weeks. X-ray powder diffraction analysis revealed that the grown crystals crystallize in the monoclinic system with space group P21/c as identical with the pure cerium oxalate. The various functional groups of the oxalate ligand and the water of crystallization were identified by Fourier transform infrared spectroscopy. The photoluminescence spectrum of the Sm3+ doped cerium oxalate indicated that the Sm3+ ions are optically active in the cerium oxalate matrix. The crystal has a strong and efficient orange red emission with a wavelength peak at 595 nm and hence can be effectively used for optical amplification. Microhardness measurements of the crystal revealed that they belong to the soft material category.

The performance studies of DKDP crystals grown by a rapid horizontal growth method

Science.gov (United States)

Xie, Xiaoyi; Qi, Hongji; Wang, Bin; Wang, Hu; Chen, Duanyang; Shao, Jianda

2018-04-01

A deuterated potassium dihydrogen phosphate (DKDP) crystal with about 70% deuterium level was grown by a rapid horizontal growth method with independent design equipment, which includes a continuous filtration system. The cooling program during crystal growth was designed according to a self-developed software to catch the size of growing crystal in real time. The crystal structure, optical performance and laser induced damage threshold (LIDT) of this DKDP crystal were investigated in this paper. The deuterium concentration of the crystal was confirmed by the neutron diffraction technique, which was effective and available in determining a complete range of deuteration level. The dielectric property was measured to evaluate the perfection of the lattice. The transmittance and LIDT were carried out further to evaluate the optical and functional properties of this DKDP crystal grown in the rapid horizontal growth technique. All of the detailed characterization for DKDP figured out that the 70% deuterated KDP crystal grown in this way had relatively good qualities.

Crystal growth of new charge-transfer salts based on π-conjugated donor molecules

Energy Technology Data Exchange (ETDEWEB)

Morherr, Antonia, E-mail: morherr@stud.uni-frankfurt.de [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Witt, Sebastian [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Chernenkaya, Alisa [Graduate School Materials Science in Mainz, 55128 Mainz (Germany); Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Bäcker, Jan-Peter [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Schönhense, Gerd [Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Bolte, Michael [Institut für anorganische Chemie, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany); Krellner, Cornelius [Physikalisches Institut, Goethe-Universität Frankfurt am Main, 60438 Frankfurt am Main (Germany)

2016-09-01

New charge transfer crystals of π-conjugated, aromatic molecules (phenanthrene and picene) as donors were obtained by physical vapor transport. The melting behavior, optimization of crystal growth and the crystal structure are reported for charge transfer salts with (fluorinated) tetracyanoquinodimethane (TCNQ-F{sub x}, x=0, 2, 4), which was used as acceptor material. The crystal structures were determined by single-crystal X-ray diffraction. Growth conditions for different vapor pressures in closed ampules were applied and the effect of these starting conditions for crystal size and quality is reported. The process of charge transfer was investigated by geometrical analysis of the crystal structure and by infrared spectroscopy on single crystals. With these three different acceptor strengths and the two sets of donor materials, it is possible to investigate the distribution of the charge transfer systematically. This helps to understand the charge transfer process in this class of materials with π-conjugated donor molecules.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt.

Science.gov (United States)

Soares, Alexei S; Mullen, Jeffrey D; Parekh, Ruchi M; McCarthy, Grace S; Roessler, Christian G; Jackimowicz, Rick; Skinner, John M; Orville, Allen M; Allaire, Marc; Sweet, Robert M

2014-11-01

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

Luminescence and scintillation properties of YAG:Ce single crystal and optical ceramics

CERN Document Server

Mihóková, E; Mareš, J A; Beitlerová, A; Vedda, A; Nejezchleb, K; Blažek, K; D’Ambrosio, C

2007-01-01

We use various techniques to study optical and scintillation properties of Ce-doped yttrium aluminum garnet, Y3Al5O12 (YAG:Ce), in the form of a high-quality industrial single crystal. This was compared to optical ceramics prepared from YAG:Ce nanopowders. We present experimental data in the areas of optical absorption, radioluminescence, scintillation decay, photoelectron yield, thermally stimulated luminescence and radiation-induced absorption. The results point to an interesting feature—the absence of antisite (YAl, i.e. Y at the Al site) defects in optical ceramics. The scintillation decay of the ceramics is faster than that of the single crystal, but its photoelectron yield (measured with 1 μs integration time) is about 30–40% lower. Apart from the photoelectron yield value the YAG:Ce optical ceramic is fully comparable to a high quality industrial YAG:Ce single crystal and can become a competitive scintillator material.

A potentiometric titration method for the crystallization of drug-like organic molecules.

Science.gov (United States)

Du-Cuny, Lei; Huwyler, Jörg; Fischer, Holger; Kansy, Manfred

2007-09-05

It is generally accepted, that crystalline solids representing a low energy polymorph should be selected for development of oral dosage forms. As a consequence, efficient and robust procedures are needed at an early stage during drug discovery to prepare crystals from drug-like organic molecules. In contrast to the use of supersaturated solutions, we present a potentiometric crystallization procedure where saturated solutions are prepared in a controlled manner by pH-titration. Crystallization is carried out under defined conditions using the sample concentration and experimental pK(a) values as input parameters. Crystals of high quality were obtained for 11 drugs selected to demonstrate the efficiency and applicability of the new method. Technical improvements are suggested to overcome practical limitations and to enhance the possibility of obtaining crystals from molecules in their uncharged form.

PS-HEMA latex fractionation by sedimentation and colloidal crystallization

Directory of Open Access Journals (Sweden)

Cardoso André H.

1999-01-01

Full Text Available A poly(styrene-co-hydroxyethylmethacrylate latex underwent sedimentation under gravity followed by an spontaneous and extensive colloidal crystallization. It was then fractionated in three visually distinguishable layers. Latex aliquots layers were sampled at different heigths and the particles were characterized by PCS, microelectrophoresis, infrared spectra and analytical electron microscopy. The major fraction was opalescent and contained the colloidal crystals settled in the bottom of the liquid. Two other latex fractions were obtained, which differed in their chemical compositions, particle sizes and topochemical features from the self-arraying particles. Macrocrystallization of the fractionated latex yielded high quality crystals with a low frequency of defects, which confirms that particle chemical homogeneity is an important factor for particle self-arraying.

Repeated growth and bubbling transfer of graphene with millimetre-size single-crystal grains using platinum.

Science.gov (United States)

Gao, Libo; Ren, Wencai; Xu, Huilong; Jin, Li; Wang, Zhenxing; Ma, Teng; Ma, Lai-Peng; Zhang, Zhiyong; Fu, Qiang; Peng, Lian-Mao; Bao, Xinhe; Cheng, Hui-Ming

2012-02-28

Large single-crystal graphene is highly desired and important for the applications of graphene in electronics, as grain boundaries between graphene grains markedly degrade its quality and properties. Here we report the growth of millimetre-sized hexagonal single-crystal graphene and graphene films joined from such grains on Pt by ambient-pressure chemical vapour deposition. We report a bubbling method to transfer these single graphene grains and graphene films to arbitrary substrate, which is nondestructive not only to graphene, but also to the Pt substrates. The Pt substrates can be repeatedly used for graphene growth. The graphene shows high crystal quality with the reported lowest wrinkle height of 0.8 nm and a carrier mobility of greater than 7,100 cm(2) V(-1) s(-1) under ambient conditions. The repeatable growth of graphene with large single-crystal grains on Pt and its nondestructive transfer may enable various applications.

Crystals of Serum Albumin for Use in Genetic Engineering and Rational Drug Design

Science.gov (United States)

Carter, Daniel C. (Inventor)

1996-01-01

Serum albumin crystal forms have been produced which exhibit superior x-ray diffraction quality. The crystals are produced from both recombinant and wild-type human serum albumin, canine, and baboon serum albumin and allow the performance of drug-binding studies as well as genetic engineering studies. The crystals are grown from solutions of polyethylene glycol or ammonium sulphate within prescribed limits during growth times from one to several weeks and include the following space groups: P2(sub 1), C2, P1.

Growth, structural, optical and surface analysis of piperazinium tartrate: A NLO single crystal

Science.gov (United States)

Gupta, Apurva; Raseel Rahman M., K.; Nair, Lekha

2018-05-01

Single crystal of piperazinium tartrate (PPZT) was grown by the slow evaporation solution growth technique at room temperature. Crystallinity of grown crystal was examined by powder X-ray diffraction. High transparency and wide band gap were observed in the UV-Visible spectroscopic studies. Intense and broad emissions were observed in the blue region, as that is indicated by photoluminescence spectroscopy. The quality of the grown PPZT single crystals were analyzed by the etching studies using the water as the etchant.

Single-Crystal Diamond Nanobeam Waveguide Optomechanics

Science.gov (United States)

Khanaliloo, Behzad; Jayakumar, Harishankar; Hryciw, Aaron C.; Lake, David P.; Kaviani, Hamidreza; Barclay, Paul E.

2015-10-01

Single-crystal diamond optomechanical devices have the potential to enable fundamental studies and technologies coupling mechanical vibrations to both light and electronic quantum systems. Here, we demonstrate a single-crystal diamond optomechanical system and show that it allows excitation of diamond mechanical resonances into self-oscillations with amplitude >200 nm . The resulting internal stress field is predicted to allow driving of electron spin transitions of diamond nitrogen-vacancy centers. The mechanical resonances have a quality factor >7 ×105 and can be tuned via nonlinear frequency renormalization, while the optomechanical interface has a 150 nm bandwidth and 9.5 fm /√{Hz } sensitivity. In combination, these features make this system a promising platform for interfacing light, nanomechanics, and electron spins.

Crystal growth, spectroscopic characterization, and continuous wave laser operation of Nd3+-doped LiLuF4 crystal

Science.gov (United States)

Zhao, C. C.; Hang, Y.; Zhang, L. H.; He, X. M.; Yin, J. G.; Li, R.; Yu, T.; Chen, W. B.

2011-04-01

Nd3+-doped LiLuF4 single crystal with high optical quality was grown by Czochralski technique. The segregation coefficient of Nd3+ in LiLuF4 crystal was determined by the inductively coupled plasma atomic emission spectrometry method. Polarized absorption and fluorescence spectra were investigated. The peak absorption cross section at 792 nm and peak emission cross section at 1053 nm are 6.94×10-20 and 7.60×10-20 cm2, respectively. With a laser-diode as the pump source, a maximum 6.22 W continuous-wave laser output at 1053 nm has been obtained with a slope efficiency of 37.2% with respect to the pump power.

The anchorless adhesin Eap (extracellular adherence protein) from Staphylococcus aureus selectively recognizes extracellular matrix aggregates but binds promiscuously to monomeric matrix macromolecules.

Science.gov (United States)

Hansen, Uwe; Hussain, Muzaffar; Villone, Daniela; Herrmann, Mathias; Robenek, Horst; Peters, Georg; Sinha, Bhanu; Bruckner, Peter

2006-05-01

Besides a number of cell wall-anchored adhesins, the majority of Staphylococcus aureus strains produce anchorless, cell wall-associated proteins, such as Eap (extracellular adherence protein). Eap contains four to six tandem repeat (EAP)-domains. Eap mediates diverse biological functions, including adherence and immunomodulation, thus contributing to S. aureus pathogenesis. Eap binding to host macromolecules is unusually promiscuous and includes matrix or matricellular proteins as well as plasma proteins. The structural basis of this promiscuity is poorly understood. Here, we show that in spite of the preferential location of the binding epitopes within triple helical regions in some collagens there is a striking specificity of Eap binding to different collagen types. Collagen I, but not collagen II, is a binding substrate in monomolecular form. However, collagen I is virtually unrecognized by Eap when incorporated into banded fibrils. By contrast, microfibrils containing collagen VI as well as basement membrane-associated networks containing collagen IV, or aggregates containing fibronectin bound Eap as effectively as the monomeric proteins. Therefore, Eap-binding to extracellular matrix ligands is promiscuous at the molecular level but not indiscriminate with respect to supramolecular structures containing the same macromolecules. In addition, Eap bound to banded fibrils after their partial disintegration by matrix-degrading proteinases, including matrix metalloproteinase 1. Therefore, adherence to matrix suprastructures by S. aureus can be supported by inflammatory reactions.

From the Cover: Microfabricated needles for transdermal delivery of macromolecules and nanoparticles: Fabrication methods and transport studies

Science.gov (United States)

McAllister, Devin V.; Wang, Ping M.; Davis, Shawn P.; Park, Jung-Hwan; Canatella, Paul J.; Allen, Mark G.; Prausnitz, Mark R.

2003-11-01

Arrays of micrometer-scale needles could be used to deliver drugs, proteins, and particles across skin in a minimally invasive manner. We therefore developed microfabrication techniques for silicon, metal, and biodegradable polymer microneedle arrays having solid and hollow bores with tapered and beveled tips and feature sizes from 1 to 1,000 μm. When solid microneedles were used, skin permeability was increased in vitro by orders of magnitude for macromolecules and particles up to 50 nm in radius. Intracellular delivery of molecules into viable cells was also achieved with high efficiency. Hollow microneedles permitted flow of microliter quantities into skin in vivo, including microinjection of insulin to reduce blood glucose levels in diabetic rats. transdermal drug delivery | skin | microelectromechanical systems | solid microneedle | hollow needle injection

Nanobody mediated crystallization of an archeal mechanosensitive channel.

Directory of Open Access Journals (Sweden)

Christian Löw

Full Text Available Mechanosensitive channels (MS are integral membrane proteins and allow bacteria to survive sudden changes in external osmolarity due to transient opening of their pores. The efflux of cytoplasmic osmolytes reduces the membrane tension and prevents membrane rupture. Therefore these channels serve as emergency valves when experiencing significant environmental stress. The preparation of high quality crystals of integral membrane proteins is a major bottleneck for structure determination by X-ray crystallography. Crystallization chaperones based on various protein scaffolds have emerged as promising tool to increase the crystallization probability of a selected target protein. So far archeal mechanosensitive channels of small conductance have resisted crystallization in our hands. To structurally analyse these channels, we selected nanobodies against an archeal MS channel after immunization of a llama with recombinant expressed, detergent solubilized and purified protein. Here we present the characterization of 23 different binders regarding their interaction with the channel protein using analytical gel filtration, western blotting and surface plasmon resonance. Selected nanobodies bound the target with affinities in the pico- to nanomolar range and some binders had a profound effect on the crystallization of the MS channel. Together with previous data we show that nanobodies are a versatile and valuable tool in structural biology by widening the crystallization space for highly challenging proteins, protein complexes and integral membrane proteins.

Creatine, Glutamine plus Glutamate, and Macromolecules Are Decreased in the Central White Matter of Premature Neonates around Term.

Directory of Open Access Journals (Sweden)

Meriam Koob

Full Text Available Preterm birth represents a high risk of neurodevelopmental disabilities when associated with white-matter damage. Recent studies have reported cognitive deficits in children born preterm without brain injury on MRI at term-equivalent age. Understanding the microstructural and metabolic underpinnings of these deficits is essential for their early detection. Here, we used diffusion-weighted imaging and single-voxel 1H magnetic resonance spectroscopy (MRS to compare brain maturation at term-equivalent age in premature neonates with no evidence of white matter injury on conventional MRI except diffuse excessive high-signal intensity, and normal term neonates. Thirty-two infants, 16 term neonates (mean post-conceptional age at scan: 39.8±1 weeks and 16 premature neonates (mean gestational age at birth: 29.1±2 weeks, mean post-conceptional age at scan: 39.2±1 weeks were investigated. The MRI/MRS protocol performed at 1.5T involved diffusion-weighted MRI and localized 1H-MRS with the Point RESolved Spectroscopy (PRESS sequence. Preterm neonates showed significantly higher ADC values in the temporal white matter (P<0.05, the occipital white matter (P<0.005 and the thalamus (P<0.05. The proton spectrum of the centrum semiovale was characterized by significantly lower taurine/H2O and macromolecules/H2O ratios (P<0.05 at a TE of 30 ms, and reduced (creatine+phosphocreatine/H2O and (glutamine+glutamate/H2O ratios (P<0.05 at a TE of 135 ms in the preterm neonates than in full-term neonates. Our findings indicate that premature neonates with normal conventional MRI present a delay in brain maturation affecting the white matter and the thalamus. Their brain metabolic profile is characterized by lower levels of creatine, glutamine plus glutamate, and macromolecules in the centrum semiovale, a finding suggesting altered energy metabolism and protein synthesis.

Preparation, definition and stabilisation of an inorganic sol by an organic macromolecule: case of an aluminium hydroxide colloid

International Nuclear Information System (INIS)

Hurbin-Faucon, A.

1966-01-01

An attempt has been made in this work to define an aluminium colloid which is resistant as a high ionic force and to analyse, in the case of this system, the possibilities. and the limits of certain techniques used in the physical chemistry of colloids. The aluminium colloid is obtained by peptization of an aluminium hydroxide precipitate. The physical characterisation of the micelle is effected using the light scattering method which makes it possible to define the colloid from the point of view of size and shape. An interesting characteristic, arising from the low refractive index of the colloid studied, has led us to use not only the general MIE methods but also the methods normally used in macro-molecular chemistry; these latter involve fewer hypotheses and thus make it possible to carry out a more complete analysis of the sol. Since the aluminium hydroxide colloid is sensitive to a high ionic force, we have begun to study the possibility of making it more stable by means of a macromolecule: gelatin. After characterizing this macromolecule by means of potentiometric and light scattering measurements, we have shown the existence of a chemical interaction which occurs when aluminium hydroxide is brought into contact with gelatin; this interaction leads to the production of an inorganic-organic entity which is stable when the ionic force increases. We have established some of the characteristics of the complex thus formed, in particular the pH range of the solution necessary for its formation, its stability. in the presence of electrolytes and some hypotheses concerning its size and shape, Finally we have tried to define the influence of. the molecular weight and the respective dimensions of each constituent on the formation of the complex and thus on the stabilization. (author) [fr

Investigation of organic desulfurization additives affecting the calcium sulfate crystals formation

Directory of Open Access Journals (Sweden)

Lv Lina

2017-01-01

Full Text Available In the study, the optimal experimental conditions for gypsum crystals formation were 323 K, 300 rpm stirring speed. The major impurities of Mg2+, Al3+ and Fe3+ were found to inhibit calcium sulfate crystals formation. Fe3+ caused the strongest inhibition, followed by Mg2+ and Al3+. The influence of desulfurization additives on the gypsum crystals formation was explored with the properties of moisture content, particle size distribution and crystal morphology. The organic desulfurization additives of adipic acid, citric acid, sodium citrate and benzoic acid were investigated. Citric acid and sodium citrate were found to improve the quality of gypsum. Moisture contents were reduced by more than 50%, gypsum particle sizes were respectively enlarged by 9.1 and 22.8%, induction time extended from 4.3 (blank to 5.3 and 7.8 min, and crystal morphology trended to be thicker.

The contribution of polystyrene nanospheres towards the crystallization of proteins.

Directory of Open Access Journals (Sweden)

Johanna M Kallio

Full Text Available BACKGROUND: Protein crystallization is a slow process of trial and error and limits the amount of solved protein structures. Search of a universal heterogeneous nucleant is an effort to facilitate crystallizability of proteins. METHODOLOGY: The effect of polystyrene nanospheres on protein crystallization were tested with three commercial proteins: lysozyme, xylanase, xylose isomerase, and with five research target proteins: hydrophobins HFBI and HFBII, laccase, sarcosine dimethylglycine N-methyltransferase (SDMT, and anti-testosterone Fab fragment 5F2. The use of nanospheres both in screening and as an additive for known crystallization conditions was studied. In screening, the addition of an aqueous solution of nanosphere to the crystallization drop had a significant positive effect on crystallization success in comparison to the control screen. As an additive in hydrophobin crystallization, the nanospheres altered the crystal packing, most likely due to the amphiphilic nature of hydrophobins. In the case of laccase, nanospheres could be used as an alternative for streak-seeding, which insofar had remained the only technique to produce high-diffracting crystals. With methyltransferase SDMT the nanospheres, used also as an additive, produced fewer, larger crystals in less time. Nanospheres, combined with the streak-seeding method, produced single 5F2 Fab crystals in shorter equilibration times. CONCLUSIONS: All in all, the use of nanospheres in protein crystallization proved to be beneficial, both when screening new crystallization conditions to promote nucleation and when used as an additive to produce better quality crystals, faster. The polystyrene nanospheres are easy to use, commercially available and close to being inert, as even with amphiphilic proteins only the crystal packing is altered and the nanospheres do not interfere with the structure and function of the protein.

Photonic Crystal Nanocavity Devices for Nonlinear Signal Processing

DEFF Research Database (Denmark)

Yu, Yi

, membranization of InP/InGaAs structure and wet etching. Experimental investigation of the switching dynamics of InP photonic crystal nanocavity structures are carried out using short-pulse homodyne pump-probe techniques, both in the linear and nonlinear region where the cavity is perturbed by a relatively small......This thesis deals with the investigation of InP material based photonic crystal cavity membrane structures, both experimentally and theoretically. The work emphasizes on the understanding of the physics underlying the structures’ nonlinear properties and their applications for all-optical signal...... processing. Based on the previous fabrication recipe developed in our III-V platform, several processing techniques are developed and optimized for the fabrication of InP photonic crystal membrane structures. Several key issues are identified to ensure a good device quality such as air hole size control...

Crystal growth of Li10B3O5

International Nuclear Information System (INIS)

Sugiyama, Akira; Gallagher, Hugh G.; Han, Thomas P.J.

1999-09-01

The growth of boron 10 isotope enriched L 10 BO (Li 10 B 3 O 5 ) optical crystal has been developed from Top-Seeded-Solution-Growth using a resistance furnace. In the preparation for growth materials, we have made further improvement on a charge loading technique to a crucible and succeeded in forming suitable high temperature flux for producing crystals. Adequate temperature gradient of 1K/cm inside the crucible was achieved from searching for a combination of setting temperatures in the vertical three-zone furnace and installing a ceramic ring under the crucible. We have also optimized seed holder configuration and established growth conditions by several attempts. As a result, two good quality L 10 BO crystals were produced with sizes of 14 x 25 x 22 mm and 13 x 10 x 12 mm from oriented seed crystals. Although these sizes were limited by the size of the crucible used, appropriate oriented samples were extracted for detailed studies in optical measurements. (author)

A study on lead myristate (LM) soap film crystal by positron annihilation life spectroscopy

International Nuclear Information System (INIS)

Shi Zikang; Yu xianchun

1992-01-01

The quality of the LM soap film crystal is determined by means of the positron annihilation life spectroscopy. It is found that the technology to be used to make soap film will influence the film quality and the film quality can be improved by a reasonable heat treatment

High-throughput crystal-optimization strategies in the South Paris Yeast Structural Genomics Project: one size fits all?

Science.gov (United States)

Leulliot, Nicolas; Trésaugues, Lionel; Bremang, Michael; Sorel, Isabelle; Ulryck, Nathalie; Graille, Marc; Aboulfath, Ilham; Poupon, Anne; Liger, Dominique; Quevillon-Cheruel, Sophie; Janin, Joël; van Tilbeurgh, Herman

2005-06-01

Crystallization has long been regarded as one of the major bottlenecks in high-throughput structural determination by X-ray crystallography. Structural genomics projects have addressed this issue by using robots to set up automated crystal screens using nanodrop technology. This has moved the bottleneck from obtaining the first crystal hit to obtaining diffraction-quality crystals, as crystal optimization is a notoriously slow process that is difficult to automatize. This article describes the high-throughput optimization strategies used in the Yeast Structural Genomics project, with selected successful examples.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

Energy Technology Data Exchange (ETDEWEB)

Soares, Alexei S., E-mail: soares@bnl.gov [Brookhaven National Laboratory, Upton, NY 11973 (United States); Mullen, Jeffrey D. [Brookhaven National Laboratory, Upton, NY 11973 (United States); University of Oregon, Eugene, OR 97403-1274 (United States); Parekh, Ruchi M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Suffolk County Community College, Selden, NY 11784 (United States); McCarthy, Grace S.; Roessler, Christian G.; Jackimowicz, Rick; Skinner, John M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Orville, Allen M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Brookhaven National Laboratory, Upton, NY 11973 (United States); Allaire, Marc [Brookhaven National Laboratory, Upton, NY 11973 (United States); Sweet, Robert M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Brookhaven National Laboratory, Upton, NY 11973 (United States)

2014-10-09

Strategies are described for optimizing the signal-to-noise of diffraction data, and for combining data from multiple crystals. One challenge that must be overcome is the non-random orientation of crystals with respect to one another and with respect to the surface that supports them. X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

International Nuclear Information System (INIS)

Soares, Alexei S.; Mullen, Jeffrey D.; Parekh, Ruchi M.; McCarthy, Grace S.; Roessler, Christian G.; Jackimowicz, Rick; Skinner, John M.; Orville, Allen M.; Allaire, Marc; Sweet, Robert M.

2014-01-01

Strategies are described for optimizing the signal-to-noise of diffraction data, and for combining data from multiple crystals. One challenge that must be overcome is the non-random orientation of crystals with respect to one another and with respect to the surface that supports them. X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies

Study of Te Inclusions in CdMnTe Crystals for Nuclear Detector Applications

International Nuclear Information System (INIS)

Babalola, O.S.; Bolotnikov, A.; Groza, M.; Hossain, A.; Egarievwe, S.; James, R.; Burger, A.

2009-01-01

The concentration, size and spatial distribution of Te inclusions in the bulk of CdMnTe crystals mined from two batches of ingots were studied. An isolated planar layer decorated with Te inclusions was identified in CdMnTe crystals from the second ingot. The internal electric field of a CMT crystal was probed by infrared (IR) imaging employing Pockels electro-optic effect. The effect of an isolated plane of Te inclusions on the internal electric-field distribution within the CdMnTe crystal was studied. Space charge accumulation around the plane of Te inclusions was observed, which was found to be higher when the detector was reverse-biased. The effects of the plane of Te inclusions on the electric-field distribution within the CdMnTe crystal, and the quality of CdMnTe crystals for nuclear detector applications are discussed.

The effect factors of potassium dihydrogen phosphate crystallization in aqueous solution

Science.gov (United States)

Zhou, Cun; Sun, Fei; Liu, Xuzhao

2017-01-01

The effects of cooling rate and pH on the potassium dihydrogen phosphate crystallization process were studied by means of batch crystallization process. The experiment shows that with the increase of cooling rate, the metastable zone width increase and the induction period decrease. When the pH is 3.0, the metastable zone width and induction period are both the minimum, while the crystallization rate is the highest. The crystallization products were characterized by scanning election microscope. Potassium Dihydrogen Phosphate (KDP) is a kind of excellent nonlinear optical materials, and belongs to tetragonal system, and ideal shape is aggregate of tetragonal prism and tetragonal dipyramid, the (100) cone is alternating accumulation by double positive ions and double negative ions [1-4]. The crystals of aqueous solution method to grow have large electro-optical nonlinear coefficient and high loser-damaged threshold, and it is the only nonlinear optical crystal could be used in inertial confinement fusion (ICF), KDP crystals are the ideal system to study the native defects of complex oxide insulating material [5-7]. With the development of photovoltaic technology, KDP crystals growth and performance have become a research focus worldwide [8, 9]. The merits of the crystallization process directly affect the quality of KDP products, so the study of the effect of crystallization conditions has an important significance on industrial production. This paper studied the change rule of metastable zone width, induction period, crystallization rate and particle size distribution in crystal process, and discussed the technical condition of KDP crystallization.

Continuous wave ultraviolet radiation induced frustration of etching in lithium niobate single crystals

Energy Technology Data Exchange (ETDEWEB)

Mailis, S.; Riziotis, C.; Smith, P.G.R.; Scott, J.G.; Eason, R.W

2003-02-15

Illumination of the -z face of congruent lithium niobate single crystals with continuous wave (c.w.) ultraviolet (UV) laser radiation modifies the response of the surface to subsequent acid etching. A frequency doubled Ar{sup +} laser ({lambda}=244 nm) was used to illuminate the -z crystal face making it resistive to HF etching and thus transforming the illuminated tracks into ridge structures. This process enables the fabrication of relief patterns in a photolithographic manner. Spatially resolved Raman spectroscopy indicates preservation of the good crystal quality after irradiation.

High quality single crystal Ge nano-membranes for opto-electronic integrated circuitry

Energy Technology Data Exchange (ETDEWEB)

Shah, V. A., E-mail: vishal.shah@warwick.ac.uk; Gammon, P. M. [Department of Engineering, The University of Warwick, Coventry CV4 7AL (United Kingdom); Department of Physics, The University of Warwick, Coventry CV4 7AL (United Kingdom); Rhead, S. D.; Halpin, J. E.; Trushkevych, O.; Wilson, N. R.; Myronov, M.; Edwards, R. S.; Patchett, D. H.; Allred, P. S.; Prest, M. J.; Whall, T. E.; Parker, E. H. C.; Leadley, D. R. [Department of Physics, The University of Warwick, Coventry CV4 7AL (United Kingdom); Chávez-Ángel, E. [ICN2-Institut Catala de Nanociencia i Nanotecnologia, Campus UAB, 08193 Bellaterra (Barcelona) (Spain); Department of Physics, UAB, 08193 Bellaterra (Barcelona) (Spain); Shchepetov, A.; Prunnila, M. [VTT Technical Research Centre of Finland, P.O. Box 1000, FI-02044 VTT, Espoo (Finland); Kachkanov, V.; Dolbnya, I. P. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Reparaz, J. S. [ICN2-Institut Catala de Nanociencia i Nanotecnologia, Campus UAB, 08193 Bellaterra (Barcelona) (Spain); and others

2014-04-14

A thin, flat, and single crystal germanium membrane would be an ideal platform on which to mount sensors or integrate photonic and electronic devices, using standard silicon processing technology. We present a fabrication technique compatible with integrated-circuit wafer scale processing to produce membranes of thickness between 60 nm and 800 nm, with large areas of up to 3.5 mm{sup 2}. We show how the optical properties change with thickness, including appearance of Fabry-Pérot type interference in thin membranes. The membranes have low Q-factors, which allow the platforms to counteract distortion during agitation and movement. Finally, we report on the physical characteristics showing sub-nm roughness and a homogenous strain profile throughout the freestanding layer, making the single crystal Ge membrane an excellent platform for further epitaxial growth or deposition of materials.

High quality single crystal Ge nano-membranes for opto-electronic integrated circuitry

International Nuclear Information System (INIS)

Shah, V. A.; Gammon, P. M.; Rhead, S. D.; Halpin, J. E.; Trushkevych, O.; Wilson, N. R.; Myronov, M.; Edwards, R. S.; Patchett, D. H.; Allred, P. S.; Prest, M. J.; Whall, T. E.; Parker, E. H. C.; Leadley, D. R.; Chávez-Ángel, E.; Shchepetov, A.; Prunnila, M.; Kachkanov, V.; Dolbnya, I. P.; Reparaz, J. S.

2014-01-01

A thin, flat, and single crystal germanium membrane would be an ideal platform on which to mount sensors or integrate photonic and electronic devices, using standard silicon processing technology. We present a fabrication technique compatible with integrated-circuit wafer scale processing to produce membranes of thickness between 60 nm and 800 nm, with large areas of up to 3.5 mm 2 . We show how the optical properties change with thickness, including appearance of Fabry-Pérot type interference in thin membranes. The membranes have low Q-factors, which allow the platforms to counteract distortion during agitation and movement. Finally, we report on the physical characteristics showing sub-nm roughness and a homogenous strain profile throughout the freestanding layer, making the single crystal Ge membrane an excellent platform for further epitaxial growth or deposition of materials

Synthesis and growth of single crystals of PrCl3

International Nuclear Information System (INIS)

Pei, Jen Shieh.

1984-01-01

An efficient method for growth of high optical quality single crystals of PrCl 3 . The method consists in careful drying of the hydrated chloride, PrCl 3 . 7H 2 O, with a protective atmosphere of anhydrous HCl and Ar. A subsequent growth was done by the zone melting technique. The hydrated chloride had prepared from dissolution of the oxide Pr 6 O 11 in hydrochloric acid. The grown crystals had characterized fluorescence and x-ray diffraction measurements. (Author) [pt

The accuracy of the crystal chemical parameters at high-pressure conditions from single-crystal X-ray diffraction in diamond-anvil cell

DEFF Research Database (Denmark)

Periotto, Benedetta

-ray instruments. At the same time, the high-pressure experiments have benefited by the strong improvements on the high-pressure devices, in particular the diamond-anvil cell (DAC). The aim of this research project is to assess the quality of the data obtained by means of the single-crystal X-ray diffraction...... technique through the study of different mineral phases. The procedure for setting up an experiment under high-pressure conditions, using a single crystal as sample held within a DAC, are presented here with all the details of the in situ measurements at high-pressure conditions. The research project...... started with a comparison between two different DACs, in order to define the capabilities of one of the most common types of pressure device, the ETH-type DAC. Application examples of data quality analysis have been conducted on pyroxenes (NaInSi2O6, orthoenstatite MgSiO3 and LiCrSi2O6), which...

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped Lu2SiO5 crystal

International Nuclear Information System (INIS)

Li, D Z; Xu, X D; Zhou, D H; Xia, C T; Wu, F; Xu, J; Cong, Z H; Zhang, J; Tang, D Y

2011-01-01

High quality Nd 3+ -doped Lu 2 SiO 5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω 2,4,6 were obtained to be 2.59, 4.90, and 5.96×10 -20 cm 2 , respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10 -20 cm 2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material

Crystal growth, optical properties, and continuous-wave laser operation of Nd3+-doped Lu2SiO5 crystal

Science.gov (United States)

Li, D. Z.; Xu, X. D.; Zhou, D. H.; Xia, C. T.; Wu, F.; Xu, J.; Cong, Z. H.; Zhang, J.; Tang, D. Y.

2011-01-01

High quality Nd3+-doped Lu2SiO5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω2,4,6 were obtained to be 2.59, 4.90, and 5.96×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10-20 cm2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material.

Salvage and storage of infectious disease protein targets in the SSGCID high-throughput crystallization pathway using microfluidics

International Nuclear Information System (INIS)

Christensen, Jeff; Gerdts, Cory J.; Clifton, Mathew C.; Stewart, Lance

2011-01-01

SSGCID protein crystals were salvaged and stored using the MPCS Plug Maker and CrystalCards when high-throughput traditional sitting-drop vapor diffusion initially failed. The MPCS Plug Maker is a microcapillary-based protein-crystallization system for generating diffraction-ready crystals from nanovolumes of protein. Crystallization screening using the Plug Maker was used as a salvage pathway for proteins that failed to crystallize during the initial observation period using the traditional sitting-drop vapor-diffusion method. Furthermore, the CrystalCards used to store the crystallization experiments set up by the Plug Maker are shown be a viable container for long-term storage of protein crystals without a discernable loss of diffraction quality with time. Use of the Plug Maker with SSGCID proteins is demonstrated to be an effective crystal-salvage and storage method

Highly resistive C-doped hydride vapor phase epitaxy-GaN grown on ammonothermally crystallized GaN seeds

Science.gov (United States)

Iwinska, Malgorzata; Piotrzkowski, Ryszard; Litwin-Staszewska, Elzbieta; Sochacki, Tomasz; Amilusik, Mikolaj; Fijalkowski, Michal; Lucznik, Boleslaw; Bockowski, Michal

2017-01-01

GaN crystals were grown by hydride vapor phase epitaxy (HVPE) and doped with C. The seeds were high-structural-quality ammonothermally crystallized GaN. The grown crystals were highly resistive at 296 K and of high structural quality. High-temperature Hall effect measurements revealed p-type conductivity and a deep acceptor level in the material with an activation energy of 1 eV. This is in good agreement with density functional theory calculations based on hybrid functionals as presented by the Van de Walle group. They obtained an ionization energy of 0.9 eV when C was substituted for N in GaN and acted as a deep acceptor.

A Generic Framework for Systematic Design of Process Monitoring and Control System for Crystallization Processes

DEFF Research Database (Denmark)

Abdul Samad, Noor Asma Fazli Bin; Meisler, Kresten Troelstrup; Sin, Gürkan

2012-01-01

Crystallization processes have a wide range of application as a solid-liquid separation technique in the chemical, the pharmaceutical and the food industries, due to the fact that high quality crystalline products can be produced. The main specifications of the crystal product are usually given i...

A dark hollow beam from a selectively liquid-filled photonic crystal fibre

International Nuclear Information System (INIS)

Mei-Yan, Zhang; Shu-Guang, Li; Yan-Yan, Yao; Bo, Fu; Lei, Zhang

2010-01-01

This paper reports that, based on the electromagnetic scattering theory of the multipole method, a high-quality hollow beam is produced through a selectively liquid-filled photonic crystal fibre. Instead of a doughnut shape, a typical hollow beam is produced by other methods; the mode-field images of the hollow-beam photonic crystal fibre satisfy sixth-order rotation symmetry, according to the symmetry of the photonic crystal fibre (PCF) structure. A dark spot size of the liquid-filled photonic crystal fibre-generated hollow beam can be tuned by inserting liquid into the cladding region and varying the photonic crystal fibre structure parameters. The liquid-filled PCF makes a convenient and flexible tool for the guiding and trapping of atoms and the creation of all-fibre optical tweezers. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

CCDC 963853: Experimental Crystal Structure Determination : catena-(bis(mu2-2-Methylimidazolato)-zinc propane)

KAUST Repository

Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed

2014-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 963852: Experimental Crystal Structure Determination : catena-(bis(mu2-2-Methylimidazolato)-zinc propane)

KAUST Repository

Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed

2014-01-01

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

CCDC 963855: Experimental Crystal Structure Determination : catena-(bis(mu2-2-Methylimidazolato)-zinc methane)

KAUST Repository