scholarly journals The Effect of Stretching on the Crystal Structure and Crystal Orientation of PA510/SiO2 Films

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 705
Author(s):  
Lingna Cui ◽  
Yu Dong ◽  
Yuejun Liu ◽  
Shuhong Fan
Keyword(s):  
Crystal Structure ◽  
Crystal Orientation ◽  
Barrier Properties ◽  
Crystal Form ◽  
Crystal Forms ◽  
Sio2 Films ◽  
Transmission Electron ◽  
Orientation Function ◽  
Dispersion State ◽  
Stretching Ratio

In order to explore the relationship between the microstructure and macroscopic properties of PA510/SiO2 films, the effect of the stretching on the crystal structure and crystal orientation of stretched PA510/SiO2 films was studied. It could be seen from the transmission electron microscopy (TEM) graphs that the layered SiO2 molecules were mainly oriented toward the machine direction (MD) and the dispersion could be improved by stretching. Through wide-angle X-ray scattering (WAXS) analysis, PA510/SiO2 stretched films only contained a γ crystal form. During uniaxial stretching, especially for 1 × 3 film, the γ1(100) crystal form was obviously oriented in the equatorial direction, and the orientation of γ2(004) and γ3(006) crystal forms could be observed in the meridian direction. According to the Herman orientation function, the orientation of the b-axis in the MD increased with the increase of the stretching ratio. It was worth noting that the orientation of the crystal region was more obvious. The addition of SiO2 and the orientation of the crystalline and amorphous regions could improve the barrier properties of the films. The changes in the optical properties of stretched films were affected by the dispersion state of SiO2 and the surface roughness.

scholarly journals Effect of pressure on the crystal structure of L-serine-I and the crystal structure of L-serine-II at 5.4 GPa

2005 ◽  
Vol 61 (1) ◽  
pp. 58-68 ◽  
Author(s):  
Stephen A. Moggach ◽  
David R. Allan ◽  
Carole A. Morrison ◽  
Simon Parsons ◽  
Lindsay Sawyer
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Ambient Pressure ◽  
Crystal Form ◽  
Hydroxyl Groups ◽  
Orthorhombic Space Group ◽  
Crystal Forms ◽  
Hydrogen Bonded

The crystal structure of L-serine has been determined at room temperature at pressures between 0.3 and 4.8 GPa. The structure of this phase (hereafter termed L-serine-I), which consists of the molecules in their zwitterionic tautomer, is orthorhombic, space group P212121. The least compressible cell dimension (c), corresponds to chains of head-to-tail NH...carboxylate hydrogen bonds. The most compressible direction is along b, and the pressure-induced distortion in this direction takes the form of closing up voids in the middle of R-type hydrogen-bonded ring motifs. This occurs by a change in the geometry of hydrogen-bonded chains connecting the hydroxyl groups of the —CH2OH side chains. These hydrogen bonds are the longest conventional hydrogen bonds in the system at ambient pressure, having an O...O separation of 2.918 (4) Å and an O...O...O angle of 148.5 (2)°; at 4.8 GPa these parameters are 2.781 (11) and 158.5 (7)°. Elsewhere in the structure one NH...O interaction reaches an N...O separation of 2.691 (13) Å at 4.8 GPa. This is amongst the shortest of this type of interaction to have been observed in an amino acid crystal structure. Above 4.8 GPa the structure undergoes a single-crystal-to-single-crystal phase transition to a hitherto uncharacterized polymorph, which we designate L-serine-II. The OH...OH hydrogen-bonded chains of L-serine-I are replaced in L-serine-II by shorter OH...carboxyl interactions, which have an O...O separation of 2.62 (2) Å. This phase transition occurs via a change from a gauche to an anti conformation of the OH group, and a change in the NCαCO torsion angle from −178.1 (2)° at 4.8 GPa to −156.3 (10)° at 5.4 GPa. Thus, the same topology appears in both crystal forms, which explains why it occurs from one single-crystal form to another. The transition to L-serine-II is also characterized by the closing-up of voids which occur in the centres of other R-type motifs elsewhere in the structure. There is a marked increase in CH...O hydrogen bonding in both phases relative to L-serine-I at ambient pressure.

scholarly journals Crystal Habits and Biological Properties of N-(4-Trifluoromethylphenyl)-4-Hydroxy-2,2-Dioxo-1H-2λ6,1-Benzothiazine-3-Carboxamide

2019 ◽  
Vol 88 (1) ◽  
pp. 1 ◽  
Author(s):  
Igor V. Ukrainets ◽  
Lidiya A. Petrushova ◽  
Andrii I. Fedosov ◽  
Natali I. Voloshchuk ◽  
Pavlo S. Bondarenko ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Form ◽  
Biological Properties ◽  
Experimental Models ◽  
Molecular And Crystal Structure ◽  
Tail Flick ◽  
Noticeable Effect ◽  
Crystal Forms ◽  
Structure Changes ◽  
Tail Tip

In order to study polymorphic modifications of N-(4-trifluoromethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamide, which is of interest as a promising analgesic, its three colorless crystal forms with different habitus have been obtained: sticks of ethyl acetate, plates of meta-xylene and blocks of ortho-xylene. However, the X-ray diffraction analysis has shown that all the forms studied have the identical molecular and crystal structure in spite of such significant differences in appearance. Moreover, pharmacological tests have revealed significant differences in the analgesic activity in these samples (a total of five experimental models were used: “acetic-acid-induced writhing”, “hot plate”, “thermal irritation of the tail tip” (tail-flick), “tail electric stimulation” and “neuropathic pain”), acute toxicity and the ability to cause gastric damage. As a result, only the plate crystal form of N-(4-trifluoromethylphenyl)-4-hydroxy-2,2-dioxo-1H-2λ6,1-benzothiazine-3-carboxamide is recommended for further studies. Thus, it has been proven that the habitus of crystals is an important characteristic of the drug substance and is able to have a noticeable effect on its biological properties. Changes in habitus should be considered as a guide to the mandatory verification of at least the basic pharmacological parameters of the new form regardless of whether the molecular and crystal structure changes.

Molecular replacement

2002 ◽  
Author(s):  
David Blow
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Electron Density ◽  
Heavy Atom ◽  
Sperm Whale ◽  
Crystal Form ◽  
Protein Crystal ◽  
Crystal Forms ◽  
Unit Cells ◽  
The Difference

The methods described in the Chapters 7 and 8 are the only ones practicable when the structure under study is completely unknown. But as soon as a few structures were known, they suggested that related problems might be tackled in a more direct way. For example, if I know the molecular structure of horse oxyhaemoglobin, surely it can help me in the study of horse deoxyhaemoglobin crystals. Also it should help me to tackle the crystal structure of human oxyhaemoglobin. And, by the way, shouldn’t the first protein crystal structure at atomic resolution, that of sperm-whale myoglobin, help me with all of these? Well-developed techniques are now available to apply these ideas. They will be presented first for the simplest case. Suppose I know accurately the structure of a protein crystal form, A, and I can use this crystal structure to define a molecule M. This requires decisions about the boundaries that identify a molecule in A. Now I have crystallized the protein in a different crystal form, X, the diffraction intensities of which I have measured. How can the crystal structure of X be determined? From what I know of protein structure, it is fair to assume that the two molecular structures are very similar. M can be used as a model for the structure which may be in X. There is a very simple case where the crystal symmetry is unchanged and the unit cells are virtually the same. Such cases may be studied by electron-density difference maps, similar to those described for the assignment of heavy atom positions in Chapter 7. This is quite common, for example, in the case of single-site amino-acid substitutions in a protein, and the difference map may show the electron-density differences at the substituted amino acid, while the absence of significant density in the rest of the map could confirm that negligible changes had occurred in the rest of the structure. In the more important case, the crystal forms A and X crystallize differently, and the space-group symmetry is probably different. It is important to begin by determining the symmetry and cell dimensions of the X crystals.

Spherulitic crystal growth in the prodissoconch larval of Crassostrea virginica

1983 ◽  
Vol 41 ◽  
pp. 518-519
Author(s):  
George G. Cocks ◽  
Louis Leibovitz ◽  
DoSuk D. Lee
Keyword(s):  
Crystal Structure ◽  
Crassostrea Virginica ◽  
Crystal Orientation ◽  
Developmental Changes ◽  
Gastrula Stage ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Stages Of Growth ◽  
Early Stages ◽  
Initial Deposition

Our understanding of the structure and the formation of inorganic minerals in the bivalve shells has been considerably advanced by the use of electron microscope. However, very little is known about the ultrastructure of valves in the larval stage of the oysters. The present study examines the developmental changes which occur between the time of conception to the early stages of Dissoconch in the Crassostrea virginica(Gmelin), focusing on the initial deposition of inorganic crystals by the oysters.The spawning was induced by elevating the temperature of the seawater where the adult oysters were conditioned. The eggs and sperm were collected separately, then immediately mixed for the fertilizations to occur. Fertilized animals were kept in the incubator where various stages of development were stopped and observed. The detailed analysis of the early stages of growth showed that CaCO3 crystals(aragonite), with orthorhombic crystal structure, are deposited as early as gastrula stage(Figuresla-b). The next stage in development, the prodissoconch, revealed that the crystal orientation is in the form of spherulites.

Transmission Electron Microscopy studies of the vacancy ordering in YSI2-X thin films

1991 ◽  
Vol 49 ◽  
pp. 562-563
Author(s):  
F.-R. Chen ◽  
T. L. Lee ◽  
L. J. Chen
Keyword(s):  
Crystal Structure ◽  
Electron Microscopy ◽  
Thin Films ◽  
Diffraction Pattern ◽  
Annealing Temperature ◽  
Lattice Mismatch ◽  
Si Substrate ◽  
Metal Thin Films ◽  
Transmission Electron ◽  
Vacancy Ordering

YSi2-x thin films were grown by depositing the yttrium metal thin films on (111)Si substrate followed by a rapid thermal annealing (RTA) at 450 to 1100°C. The x value of the YSi2-x films ranges from 0 to 0.3. The (0001) plane of the YSi2-x films have an ideal zero lattice mismatch relative to (111)Si surface lattice. The YSi2 has the hexagonal AlB2 crystal structure. The orientation relationship with Si was determined from the diffraction pattern shown in figure 1(a) to be and . The diffraction pattern in figure 1(a) was taken from a specimen annealed at 500°C for 15 second. As the annealing temperature was increased to 600°C, superlattice diffraction spots appear at position as seen in figure 1(b) which may be due to vacancy ordering in the YSi2-x films. The ordered vacancies in YSi2-x form a mesh in Si plane suggested by a LEED experiment.

Growth of near noble metal Pd and Pt thin film silicides morphology and structure

1984 ◽  
Vol 42 ◽  
pp. 498-499
Author(s):  
E. I. Alessandrini ◽  
M. O. Aboelfotoh
Keyword(s):  
Noble Metals ◽  
Annealing Temperature ◽  
Chemical Compounds ◽  
Barrier Properties ◽  
Solid State Reactions ◽  
Transmission Electron ◽  
Stable Chemical ◽  
Metal Thickness ◽  
Amorphous Si ◽  
Si Films

Considerable interest has been generated in solid state reactions between thin films of near noble metals and silicon. These metals deposited on Si form numerous stable chemical compounds at low temperatures and have found applications as Schottky barrier contacts to silicon in VLSI devices. Since the very first phase that nucleates in contact with Si determines the barrier properties, the purpose of our study was to investigate the silicide formation of the near noble metals, Pd and Pt, at very thin thickness of the metal films on amorphous silicon.Films of Pd and Pt in the thickness range of 0.5nm to 20nm were made by room temperature evaporation on 40nm thick amorphous Si films, which were first deposited on 30nm thick amorphous Si3N4 membranes in a window configuration. The deposition rate was 0.1 to 0.5nm/sec and the pressure during deposition was 3 x 10 -7 Torr. The samples were annealed at temperatures in the range from 200° to 650°C in a furnace with helium purified by hot (950°C) Ti particles. Transmission electron microscopy and diffraction techniques were used to evaluate changes in structure and morphology of the phases formed as a function of metal thickness and annealing temperature.

The Effects of Nitrogen on Electrical and Structural Properties in TaSixNy/SiO2/p-Si MOS Capacitors

2002 ◽  
Vol 716 ◽  
Author(s):  
You-Seok Suh ◽  
Greg Heuss ◽  
Jae-Hoon Lee ◽  
Veena Misra
Keyword(s):  
Structural Properties ◽  
Electron Spectroscopy ◽  
Oxygen Diffusion ◽  
Gate Dielectric ◽  
Barrier Properties ◽  
Reaction Rates ◽  
Cross Sectional ◽  
Mos Capacitors ◽  
Transmission Electron ◽  
Thermal Stability Of

AbstractIn this work, we report the effects of nitrogen on electrical and structural properties in TaSixNy /SiO2/p-Si MOS capacitors. TaSixNy films with various compositions were deposited by reactive sputtering of TaSi2 or by co-sputtering of Ta and Si targets in argon and nitrogen ambient. TaSixNy films were characterized by Rutherford backscattering spectroscopy and Auger electron spectroscopy. It was found that the workfunction of TaSixNy (Si>Ta) with varying N contents ranges from 4.2 to 4.3 eV. Cross-sectional transmission electron microscopy shows no indication of interfacial reaction or crystallization in TaSixNy on SiO2, resulting in no significant increase of leakage current in the capacitor during annealing. It is believed that nitrogen retards reaction rates and improves the chemical-thermal stability of the gate-dielectric interface and oxygen diffusion barrier properties.

Crystal Forms of Semisynthetic Ergot Alkaloid Terguride

2002 ◽  
Vol 67 (4) ◽  
pp. 479-489 ◽  
Author(s):  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Ivana Císařová ◽  
Ladislav Cvak ◽  
Alexandr Jegorov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ergot Alkaloid ◽  
Simplified Model ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
X Ray Diffraction ◽  
Torsion Angles ◽  
Crystal Forms ◽  
X Ray ◽  
Independent Molecules

Two new structures of semisynthetic ergot alkaloid terguride created by unusual number of symmetry-independent molecules were determined by X-ray diffraction methods at 150 K. Form A (monoclinic, P212121, Z = 12) contains three symmetry-independent terguride molecules and two molecules of water in the asymmetric part of the unit cell. The form CA (monoclinic, P21, Z = 8) is an anhydrate remarkable by the presence of four symmetry-independent molecules in the crystal structure. Conformations of twelve symmetry-independent molecules that were found in four already described terguride structures are compared with torsion angles obtained by ab initio quantum-mechanical calculations for the simplified model of N-cyclohexyl-N'-diethylurea.

Microstructure Characterization of Ag Nanoparticles Prepared by Hydrothermal Method

2012 ◽  
Vol 476-478 ◽  
pp. 1138-1141
Author(s):  
Zhi Qiang Wei ◽  
Qiang Wei ◽  
Li Gang Liu ◽  
Hua Yang ◽  
Xiao Juan Wu
Keyword(s):  
Crystal Structure ◽  
Particle Size ◽  
Hydrothermal Method ◽  
Ag Nanoparticles ◽  
Average Particle Size ◽  
Average Particle ◽  
Face Centered Cubic ◽  
Selected Area Electron Diffraction ◽  
Transmission Electron ◽  
Face Centered

Ag nanoparticles were successfully synthesized by hydrothermal method under the polyol system combined with traces of sodium chloride, Silver nitrate(AgNO3) and polyvinylpyrrolidone (PVP) acted as the silver source and dispersant respectively. The samples by this process were characterized via X-ray powder diffraction (XRD), Brunauer–Emmett–Teller (BET) adsorption equation, transmission electron microscopy (TEM) and the corresponding selected area electron diffraction (SAED) to determine the chemical composition, particle size, crystal structure and morphology. The experiment results indicate that the crystal structure of the samples is face centered cubic (FCC) structure as same as the bulk materials, The specific surface area is 24 m2/g, the particle size distribution ranging from10 to 50 nm, with an average particle size about 26 nm obtained by TEM and confirmed by XRD and BET results.

scholarly journals Born out of Fire and Ice: Polymorph Studies of the Antiviral Famciclovir

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 129
Author(s):  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Variable Temperature ◽  
Chemical Properties ◽  
Crystal Form ◽  
X Ray Diffraction ◽  
Crystal Forms ◽  
X Ray ◽  
Physical Chemical ◽  
Diffraction Patterns ◽  
Crystalline Forms

There is much interest and focus on solid forms of famciclovir. However, in spite of the abundance of reported differences in oral bioavailability, compressibility, and other physical–chemical properties of the various crystal forms of this drug, very little precise structural analysis is available in the literature to date. The form used in the commercial formulation is the anhydrous form I. Patents and patent applications report three different anhydrous crystalline forms on the basis of unindexed powder diffraction patterns. Single-crystal and variable-temperature X-ray diffraction experiments using the commercially available anhydrous form of famciclovir were carried out and led not only to the crystal structure determination of the anhydrous form I, but also to discovery of a new crystal form of anhydrous famciclovir from powder data.

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