Crystal Patterns Research Articles

Double perovskite Cs2AgBiBr6 radiation sensor: synthesis and characterization of single crystals

Single crystals of lead-free halide double perovskite Cs2AgBiBr6 sensor material manifest a remarkable potential for application in radiation detection and imaging. In this study, the purity and crystallinity of solution-grown Cs2AgBiBr6 single crystals with cubic Fmoverline{3}m symmetry have been corroborated by powder XRD measurements, while the single crystal XRD patterns reveal the dominant {111} lattice planes parallel to the sample surfaces. A wider range of lower resistivity values (106–109 Ωcm) was obtained from the I-V measurements compared to the 1.55 × 109–6.65 × 1010 Ωcm values from the van der Pauw method, which is typically higher for the Ag than for the carbon paint electrodes. Charge-carrier mobility values estimated from the SCLC method for the carbon paint-Cs2AgBiBr6 (1.90–4.82 cm2V−1 s−1) and the Ag-Cs2AgBiBr6 (0.58–4.54 cm2V−1 s−1) including the density of trap states (109–1010 cm−3) are comparable. Similar values of 1.89 cm2V−1 s−1 and 2.36 cm2V−1 s−1 are derived from the Hall effect measurements for a sample with carbon and Ag electrodes, respectively. The key electrical parameters including the X-ray photoresponse measurements indicate that the Cs2AgBiBr6 samples synthesized in this study satisfy requirements for radiation sensors.Graphical abstract

Reconfigurable Mechanochromic Patterns into Chameleon-Inspired Photonic Papers.

Photonic crystal (PC) patterns have shown wide applications in optical devices, information encryption, anticounterfeiting, etc. Unfortunately, it is still a great challenge to reconfigure the PC patterns once fabricated. Herein, a new strategy is presented to reconfigure self-recordable PC patterns by printing local patterns into the chameleon-inspired PC papers using the phase change material (PCM) as ink and then erasing the patterns in ethanol. Multicolor and high-resolution (25 and 75 μm for dot and lines, respectively) patterns can be efficiently and repeatedly reconfigured. In addition, the photonic patterns based on the PC paper and PCM combinations are gifted with mechanochromic characteristics and can show programmable and reversible color change under pressure. The high melting point of the ink, nonclosely packed structures of the PC paper, and the similar solubility parameter of PC paper, PCM, and ethanol are the keys for all these characteristics. This work offers a simple, flexible, efficient way to reconfigure PC patterns with mechanochromic properties and could open up exciting applications for novel hand-operation-based anticounterfeiting and optical devices.

Photoelectrochemical glycerol oxidation on Mo-BiVO4 photoanodes shows high photocharging current density and enhanced H2 evolution.

Mo-doped BiVO4's lower efficiency can be attributed in part to exciton recombination losses. Recombination losses during photoelectrochemical water oxidation can be eliminated by using glycerol as a hole acceptor. This results in an enhanced photocurrent density. In this research, we present the synthesis of a Mo-doped BiVO4 photoelectrode with a greater photocurrent density than a traditional pristine photoanode system. Increased photon exposure duration in the presence of glycerol leads to 8 mA cm-2 increase in photocurrent density due to the creation of a capacitance layer and a decrease in charge transfer resistance on the photoelectrode in a neutral-phosphate buffer solution thus confirming the photo charging effect. Glycerol photooxidation improves the photoelectrode's rate of hydrogen evolution. Research into the effects of electrolyte and electrode potential on photoelectrodes has revealed that when the applied potential increases, the light absorbance behaviour changes following its absorption distribution over the applied potential. Under a transmission electron microscope (TEM), a unique dynamical crystal fringe pattern is found in the nanoparticles scratched from the photoelectrode.

Synthesis and diffraction, computational exposure, hardness and interaction studies of EN2MNYM3NA crystalline material for mechanized, electronic and bio utilities

(E)-N-[(2-methoxynaphthalen-1-yl) methylidene]-3-nitroaniline - EN2MNYM3NA crystal is grown by slow evaporation solution growth method. The studies such as single crystal XRD, PXRD, unit cell, 3Dimensional pattern, Fourier impact and Laplace level interactive as well as Hirshfeld interactions data with the finger print profile, the weak force blow and profile are completed. The lattice constants with a, b, c values as 12.8482 Å, 15.4087 Å, 7.6234 Å and beta as 98.04O and volume as 1509.23 Å3 with material’s chemical formula as C18H14N2O3 The weak interactions of 50% and 75% are well enunciated with value of n as 2.93 for hardness coefficient; the anti-diabetic value for macro scaled EN2MNYM3NA as 39.92 (IC50) and the resolution and the elevated Isovalue value is 0.5; Globularity value as 0.721; Asphericity as 0.198; The scalings for the versatile energy and electron densities are well measured and reported properly.

ОСОБЕННОСТИ МИКРОМЕТРАЖА ГИЛЬЗ ЦИЛИНДРОВ ДВИГАТЕЛЕЙ ЯМЗ

The most important part that limits the engine life is the cylinder liner. Before fault finding in the cylinder liners, it is necessary to carry out the micrometry of their surface to identify the areas of greatest and least wear. For carrying out the micrometry and testing it on new and worn cylinder liners, 40 cylinder liners of YaMZ engines were used. The working surface of the cylinder liners was controlled by the inner diameter, which was measured in eight sections and two planes. The micrometry was carried out with an indicating hole gauge with a digital head of increased accuracy with a sensitivity of 0.001 mm; ten new cylinder liners met the technical requirements. The micrometry of thirty cylinder liners showed that the greatest wear was 253 μm in the connecting rod oscillation plane and 189 μm in the perpendicular plane. It was found that liner micrometry should be particularly thoroughly carried out at the top of the cylinder liners. The greatest wear occurs at the top piston ring stop at the start of the expansion stroke, with more intensive wear in the connecting rod oscillation plane due to the normal force. The uppermost part of the cylinder liners is the wear-free liner flange, the diameter of which indicates the original dimensions of the liner bore. However, it must also be measured due to the effects of high temperatures, changes in the crystal pattern of the material, oxidation and the presence of combustion products in the form of carbon deposits. The lower part of the cylinder liner is subject to wear due to the friction of the piston skirt against its surface. However, due to the lower temperature, the better lubrication, the much larger contact surface and the correspondingly lower pressure, increased wear here can only occur if there are misalignments in the crank mechanism: the misaligned crankshaft axle or the bent connecting rod.

Cracking enabled unclonability in colloidal crystal patterns authenticated with computer vision.

Colloidal crystals with iridescent structural coloration have appealing applications in the fields of sensors, displays, anti-counterfeiting, etc. A serious issue accompanying the facile chemical self-assembly approach to colloidal crystals is the formation of uncontrolled and irregular cracks. In contrast to the previous efforts to avoid cracking, the unfavorable and random micro-cracks in colloidal crystals were utilized here as unclonable codes for tamper-proof anti-counterfeiting. The special structural and optical characteristics of the colloidal crystal patterns assembled with monodisperse poly(styrene-methyl methacrylate-acrylic acid) core-shell nanospheres enabled multi-anti-counterfeiting modes, including angle-dependent structural colors and polarization anisotropy, besides the physically unclonable functions (PUFs) of random micro-cracks. Moreover, by using the random cracks in the colloidal crystals as templates to guide fluorescent silica nanoparticle deposition, an fluorescent anti-counterfeiting mode with PUFs was introduced. To validate the PUFs of the fluorescent micro-cracks in the colloidal crystals, a novel edge-sensitive template matching approach based on a computer vision algorithm with an accuracy of ∼100% was developed, enabling ultimate security immune to forgery. The computer-vision verifiable physically unclonable colloidal crystals with multi-anti-counterfeiting modes are superior to conventional photonic crystal anti-counterfeiting materials that rely on angle-dependent or tunable structural colors, and the conventional PUF labels in the aspect of decorative functions, which will open a new avenue for advanced security materials with multi-functionality.

Non Equilibrium Dynamics and Crystallization Pattern Formation in Mollusk Shells

Non Equilibrium Dynamics and Crystallization Pattern Formation in Mollusk Shells

Efficacy of Crystallization Test in Screening of Potentially Malignant Oral Disorders

Context: Pfeiffer in 1938 observed the crystallization pattern of cupric chloride on admixture with blood of cancer patient. Most of the oral squamous cell carcinoma develops from potentially malignant disorders (PMDs). Aim: The aim of this study is to validate the efficacy of crystallization test in screening of oral PMDs. Setting and Design: The study was carried out in the Department of Oral Medicine and radiology and oral Pathology and Microbiology. Methods and Material: The study included 20 oral PMDs and 20 normal healthy participants. One drop of blood was collected and dilution of 6% hemolyzed blood was done; 0.1 to 0.2 cc of this blood sample is added to 10 cc of 20% cupric chloride solution and further is subjected to crystallization test. Statistical Analysis Used: The Chi-square test was applied and “P” value was found to be significant. This indicates that crystallization test was statistically significant for the detection of oral PMDs. Results: In this study, sensitivity 85% and specificity 90% of crystallization test in screening PMDs was observed. Among 20 PMDs, 17 were positive and 3 were negative and among 20 normal cases, 18 were negative, and 2 were positive for the crystallization test. Positive predictive value and negative predictive value was found to be 89.47% and 85.47% respectively. Conclusion: This test is simple, less invasive, economical and can be used at the community level in mass screening of high-risk individuals more prone to develop potentially malignant oral lesions.

Twisted charge-density-wave patterns in bilayer 2D crystals and modulated electronic states

The twistronics of the atomic-thick two-dimensional (2D) van der Waals materials has opened a new venue to investigate the interlayer coupling. Till now, most studies focus on the twist of atomic lattices and the resulted moiré superstructures, while the reports about the twist of charge density waves (CDWs), the superstructures of which are from individual layers are limited. Here, using molecular beam epitaxy, we construct bilayer (BL) 1T-NbSe2 vertical structures. With high resolution scanning tunneling microscopy observations, we identify two cases of CDW twisted stacking with atomic precision. The typical twist angles are 0° and 60° between the 1st and the 2nd layer, although the top Se atomic lattices of these two layers are parallel. Compared to the single layer case, the dI/dV at BL shows an insulator-to-metal transition, with the Hubbard bands shrinking towards the Fermi level (E F). More intriguingly, interlayer coupling states rise near E F, which are related to the CDW twist angles. These findings give fresh insight into the engineering of 2D materials by CDW twisting and are potentially applicable for future nanoelectronic devices.

Droplet evaporation patterns of wheat seed leakages differ following treatments with arsenic at ultra-high dilution level

Introduction
 
 “Agro-homeopathy” plays an important role in sustainable agriculture providing cost-saving and residue-free plant treatments for the improvement of yield and the management of diseases and pests [1]. However, one of the main difficulties in “agro-homeopathy” is the exact choice of the right remedy and dilution, which requires the performance of many time-consuming trials.
 
 The droplet evaporation method could constitute a screening method for evaluating the efficacy of extremely low doses and high dilutions on plants. Droplet patterns prepared out of wheat seed leakages show differences in their complexity in relation to the seed vigour [2]. Here we show that this structure-forming capacity of seed leakages prepared in water or in ultra-high diluted (UHD) solutions may give a reliable picture of the treatment’s stimulating or inhibiting influence on plant vitality.
 
 Materials and Methods
 
 Part of the seeds was stressed with 0.1% As2O3 (As) aqueous solution [3]. The droplet patterns were prepared out of four samples: non-stressed (ns) seeds in water, ns-seeds in As 45x, stressed (s) seeds in water, s-seeds in As 45x. The experiment was performed in a 3 day repetition, 3 replicates per day, and 5 droplets per each replicate. The resulting patterns were evaluated by means of the ImageJ software [4] for their local connected fractal dimension (LCFD) values. The plant vigour of the four samples was evaluated by means of in vitro wheat growth [5, 6].
 
 Results
 
 The mean LCFD of patterns deriving from s-seeds was significantly lower (1.4) vs. ns-seeds (1.7). Moreover, for both ns- and s-seeds, the LCFD was significantly higher with treatment As 45x vs. water (1.8 vs. 1.7 for ns-seeds, and 1.5 vs. 1.2 for s-seeds). The results of the growth test showed a significant vigour decrease caused by As stress (shoot length 19.7mm) vs. ns-seeds (22.4mm); a significant stimulating effect following As 45x treatment was observed for both s-seeds (25.1mm) and ns-seeds (31.4).
 
 Discussion
 
 The droplet patterns seem to be a sensitive tool for visualizing the effectiveness of UHD on seeds. The experiment showed that the pattern complexity increased with the application of the treatment for both ns- and s-seeds. The growth test provided a further verification of these results.
 
 Conclusions
 
 Further confirmations are required, but even as it is now the droplet evaporation method may be considered a promising tool for “agro-homeopathic” screening tests.
 
 
 
 Authors declare that there is no conflict of interest and that this study received no funding.
 
 
 
 References
 
 Betti L, Trebbi G, Majewsky V, Scherr C, Shah-Rossi D, Jaeger T, Baumgartner S. Use of homeopathic preparations in phytopathological models and in field trials: a critical review. Homeopathy 2009; 98: 244-266.
 Kokornaczyk MO, Dinelli G, Marotti I, Benedettelli S, Nani D, Betti L. Self-organized crystallization patterns from evaporating droplets of Common wheat grain leakages as a potential tool for quality analysis. TheScientificWorldJ. 2011; 11: 1712-1725.
 Brizzi M, Elia V, Trebbi G, Nani D, Peruzzi M, Betti L. The efficacy of ultra molecular aqueous dilutions on a wheat germination model as a function of heat and aging-time. e-CAM 2011; Article ID 696298: 11p. doi: 10.1093/ecam/nep217.
 Collins TJ. ImmageJ for microscopy. BioTechniques. 2007; 43: 25-30.
 Betti L, Brizzi M, Nani D, Peruzzi M. Effect of high dilutions of Arsenicum album on wheat seedlings from seed poisoned with the same substance. Br. Homeopath. J. 1997; 86: 86-89.
 Brizzi M, Lazzarato L, Nani D, Borghini F, Peruzzi M, Betti L. A biostatistical insight into the As2O3 high dilution effects on the rate and variability of wheat seedling growth. Forsch. Komplementmed. 2005; 12: 277-283.

Cryogenic characterization of the grating vector apodizing phase plate coronagraph for the enhanced resolution imager and spectrograph at the Very Large Telescope

We present results on the laboratory characterization of the grating vector apodizing phase plate (gvAPP) coronagraph that will be included in the upcoming instrument enhanced resolution imager and spectrograph (ERIS) at the VLT. ERIS will include a 1 to 5 μm adaptive-optics-fed imager, NIX, that will greatly improve the capability of the VLT to perform high-contrast imaging of exoplanets especially in the 3 to 5 μm wavelength range. The gvAPP, one of the coronagraphs in the NIX suite, is a pupil plane coronagraph that uses a thin film of patterned liquid crystals to create two images of a star with a D-shaped dark hole on either side. The gvAPP is manufactured using an innovative direct-write system that produces precise patterns of liquid crystals. We utilized the upgraded infrared cryogenic test bench run by the Exoplanets and Habitability Group at ETH Zurich to measure the morphology of the gvAPP PSF and to test the accuracy of the liquid crystal manufacturing technique in the lab for the first time at contrast levels of ∼10 − 5. We find that the gvAPP can reach raw contrasts below ∼10 − 5 between ∼10 and 13 λ / D. This contrast upper limit translates to a writing accuracy of the orientation of the liquid crystal’s fast axis of better than 0.3 deg for the spatial frequencies corresponding to those separations. This is a sufficient accuracy such that the gvAPP will not be the limiting factor in achieving the required contrasts to image exoplanets.

Geochemical evolution of the Rabaul volcanic complex, Papua New Guinea - Insights from HFSE, Sr-Nd-Hf, and Fe isotopes

The Rabaul volcanic complex, Papua New Guinea, is among the few calderas worldwide with ongoing volcanic activity. Its volcanic lithologies vary from mafic lavas from outer caldera cones to differentiated lavas within. In this study, representative lavas have been analysed for their major and trace element concentrations and radiogenic Sr-Nd-Hf isotope compositions to study the geochemical evolution of the magmatic system. Stable Fe isotopes and concentrations of high field strength elements (HFSE) complement the analyses as novel tools to assess the effect of high-temperature fractional crystallisation during ongoing differentiation. Major element systematics reveal a typical fractional crystallisation sequence of olivine, pyroxene, and plagioclase as the critical process controlling the magmatic evolution. A distinct increase of Zr/Hf from the basaltic (older) outer caldera lavas (~39) to the dacitic (younger) inner caldera lavas (~41–44) can be explained by fractionation of clinopyroxene and amphibole. Ratios of Nb/Ta tend to decrease with an increasing degree of differentiation, consistent with fractional crystallisation of amphibole but not clinopyroxene. Additional fractionation of Ti-magnetite and rather oxidising conditions are further supported by the Fe isotope compositions in the inner caldera lavas (δ57Fe from +0.03 to +0.22‰, ±0.04‰, 2 SD). The high Nb/Ta in more primitive outer caldera samples are coupled with increasing rare earth elements (REE) abundances, and slab melt-like subduction components can explain high Sr/Y and GdN/YbN in the magma sources. Complementary enrichments in fluid-mobile trace elements indicate that slab dehydration controlled the sub-arc enrichment of the inner caldera volcanism. Coupled Hf-Nd isotope compositions reveal the presence of the Indian-Australian mantle domain beneath Rabaul and a temporal trend towards sediment melt components overprinting inner caldera lavas. In conclusion, geochemical features show a temporal evolution controlled by (i) variable influence of partial slab melts vs slab fluids and (ii) a change in fractional crystallisation patterns from solely olivine and pyroxene-controlled to increasingly titano-magnetite and amphibole-controlled fractionation.

Towards the Stable Evolution of Dendrites in the Case of Intense Convection in the Melt

The solid-phase pattern in the form of a dendrite is one of the frequently met structures produced from undercooled liquids. In the last decades, an analytical approach describing the steady-state crystal growth in the presence of conductive heat and mass transport has been constructed. However, experimental works show that crystal patterns frequently grow in the presence of convection. In this paper, a theoretical description based on convective heat and solute concentration transport near the solid/liquid phase interface is developed. The stable regime of crystallization in the presence of vigorous convection near the steady-state crystal vertex is studied. The stability analysis, determining the stable growth mode, and the undercooling balance law have been applied to deduce the stable values for the growth rate and tip diameter. Our analytical predictions (with convective transport) well describe experimental data for a small melt undercooling. Moreover, we compare both convective and conductive mechanisms in the vicinity of the crystal vertex. Our theory shows that convective fluxes substantially change the steady-state growth of crystals.

Fever after Preterm Prelabor Rupture of Membranes.

Fever after Preterm Prelabor Rupture of Membranes.

Preparation and Characterization of a Hybrid Complex of Cyclodextrin-Based Metal-Organic Frameworks-1 and Ascorbic Acid Derivatives.

Cyclodextrin-based metal–organic frameworks-1 (CD-MOF-1) prepared using potassium hydroxide, ethanol, and γ-cyclodextrin (γ-CD) has been reported as a new type of MOF for the development of pharmaceutical formulations. The present study aimed to investigate the physicochemical properties of ascorbic acid derivatives (L-ascorbyl 6-palmitate (ASCP); L-ascorbyl 2,6-palmitate (ASCDP)) complexed with CD-MOF-1 by a solvent evaporation method. Powder X-ray diffraction revealed that the crystal diffraction pattern of CD-MOF-1 changed from α-type to β-type when prepared by a solvent evaporation method. For ASCP/CD-MOF-1 = 1/2 and ASCDP/CD-MOF-1 = 1/4 evaporated samples, the crystal diffraction peaks derived from ASCP and ASCDP disappeared, indicating a β-like behavior. Differential scanning calorimetry results revealed that the endothermic peaks of evaporated samples (ASCP/CD-MOF-1 = 1/2 and ASCDP/CD-MOF-1 = 1/4) were not detected due to melting. Furthermore, intermolecular interactions were observed in the hydrogen bonds between the CH groups of the side chains of ASCP and ASCDP and the OH group of CD-MOF-1 in (ASCP/CD-MOF-1 = 1/2) and EVP (ASCDP/CD-MOF-1 = 1/4), based on the near-infrared absorption spectroscopy analysis. CD-MOF-1 did not form inclusion complexes with the lactone rings of ASCP and ASCDP, but with the lipophilic side chains. These results suggested that CD-MOF-1 may be useful in preparing novel drug carriers for ASCP and ASCDP.

Crystal growth control of Ni-based alloys by modulation of the melt pool morphology in DED

In additive manufacturing especially in directed energy deposition, it is hard to control crystal growth pattern due to the high temperature gradient in AM. Essentially, the crystal grows epitaxially from the substrate and columnar crystals with strong texture are exhibited in AM components. Here, small spot diameter was used for DED-L of Ni-based alloys and various crystal growth patterns were obtained by changing power density. Samples processed under low power density were shown to exhibit wide and shallow spindle-like melt pool, along with apparently hierarchical planar-columnar-equiaxed microstructure. While samples prepared under relatively high power density were shown to exhibit narrower and deeper melt pool with two sharp turning points, exhibiting inclined columnar grains and several discontinuous central axial columnar crystals. When highest power density and small spot diameter were applied, crystal growth with weak texture was achieved. Under this deep and narrow melt pool, the crystal growth can be separated into four regions: nearly-equiaxed grains with random grain orientations; horizontally symmetrically grown crystal grains; axial columnar in the center; columnar grains grew approximately vertical to the boundary of melt pool. Correlations were investigated between melt pool shape, solidification parameters and microstructure. The transformation of melt pool morphology was mainly attributed to the change of power density. Solidification parameters were shown to be different under different melt pool morphology. Diverse crystal growth patterns were achieved under different melt pool morphology controlled by power density, showing the feasibility of site-specific of microstructure control in DED-L according to the required mechanical properties.

A stable ultrastructural pattern despite variable cell size in <i>Lithothamnion corallioides</i>

Abstract. Recent advances on the mechanism and pattern of calcification in coralline algae led to contradictory conclusions. The evidence of a biologically controlled calcification process, resulting in distinctive patterns at the scale of family, was observed. However, the coralline calcification process has been also interpreted as biologically induced because of the dependency of its elemental composition on environmental variables. To clarify the matter, five collections of Lithothamnion corallioides from the Atlantic Ocean and the Mediterranean Sea, across a wide depth range (12–66 m), have been analyzed for morphology, anatomy and cell wall crystal patterns in both perithallial and epithallial cells to detect possible ultrastructural changes. L. corallioides shows the alternation of tiers of short-squared and long-ovoid/rectangular cells along the perithallus, forming a typical banding. The perithallial cell length decreases according to water depth and growth rate, whereas the diameter remains constant. Our observations confirm that both epithallial and perithallial cells show primary (PW) and secondary (SW) calcite walls. Rectangular tiles, with the long axis parallel to the cell membrane forming a multi-layered structure, characterize the PW. Flattened squared bricks characterize the SW, with roundish outlines enveloping the cell and showing a zigzag and cross orientation. Long and short cells have different thicknesses of PW and SW, increasing in short cells. Epithallial cells are one to three flared cells with the same shape of the PW and SW crystals. Despite the diverse seafloor environments and the variable L. corallioides growth rate, the cell walls maintain a consistent ultrastructural pattern with unaffected crystal shape and arrangement. A comparison with two congeneric species, L. minervae and L. valens, showed similar ultrastructural patterns in the SW but evident differences in the PW crystal shape. Our observations point to a biologically control rather than an induction of the calcification process in coralline algae and suggest a possible new morphological diagnostic tool for species identification, with relevant importance for paleontological applications. Finally, secondary calcite, in the form of dogtooth crystals that fill the cell lumen, has been observed. It represents a form of early alteration in living collections which can have implications in the reliability of climate and paleoclimate studies based on geochemical techniques.

Redefinition to bilayer osmotic pump tablets as subterranean river system within mini-earth via three-dimensional structure mechanism

Defining and visualizing the three-dimensional (3D) structures of pharmaceuticals provides a new and important tool to elucidate the phenomenal behavior and underlying mechanisms of drug delivery systems. The mechanism of drug release from complex structured dosage forms, such as bilayer osmotic pump tablets, has not been investigated widely for most solid 3D structures. In this study, bilayer osmotic pump tablets undergoing dissolution, as well as after dissolution in a desiccated solid state were examined, and visualized by synchrotron radiation micro-computed tomography (SR-μCT). In situ formed 3D structures at different in vitro drug release states were characterized comprehensively. A distinct movement pattern of NaCl crystals from the push layer to the drug layer was observed, beneath the semi-permeable coating in the desiccated tablet samples. The 3D structures at different dissolution time revealed that the pushing upsurge in the bilayer osmotic pump tablet was directed via peripheral “roadways”. Typically, different regions of the osmotic front, infiltration region, and dormant region were classified in the push layer during the dissolution of drug from tablet samples. According to the observed 3D microstructures, a “subterranean river model” for the drug release mechanism has been defined to explain the drug release mechanism.

Orientation, pattern center refinement and deformation state extraction through global optimization algorithms

Global optimization algorithms have been adopted to the simultaneously refinement of orientation and pattern center for electron backscatter diffraction patterns as well as deformation state extraction. The hyperparameter space and mutation schemes of differential evolution (DE) algorithm has been thoroughly investigated and showed to be a more efficient algorithm than the particle swarm optimization (PSO) algorithm. The optimal hyperparameters for DE generally depend on conditions such as the number of variables to be optimized and the size of bounded search space but reasonably close initial values for crossover probability is 0.9, mutation factor is 0.5, population size is ten times the number of variables, and number of iterations is at least 100. Validation on a set of simulated undeformed single crystal nickel patterns reveals a mean accuracy of ≈0.03° and ≈0.01% detector width across a large field of view. In addition, validation using noisy simulated deformed patterns with known deformation state and pattern center shows that the mean accuracy of shear strain and rotation components is ≈0.001 and for the normal strain ≈0.002.

Structure and cleavage pattern of a hyaluronate 3-glycanohydrolase in the glycoside hydrolase 79 family

Hyaluronidases have attracted a great deal of interest in the field of medicine due to their fundamental roles in the breakdown of hyaluronan. However, little is known about the catalytic mechanism of the hyaluronate 3-glycanohydrolases. Here, we report the crystal structure and cleavage pattern of a leech hyaluronidase (LHyal), which hydrolyzes the β-1,3-glycosidic bonds of hyaluronan. LHyal exhibits the typical structural features of glycoside hydrolase 79 family but contains a variable ‘exo-pocket’ loop where basic residues R102 and K103 are the structural determinants of hyaluronan binding. Through analysis of the hydrolysis of even- and odd-numbered hyaluronan oligosaccharides, we demonstrate that hexasaccharide is the shortest natural substrate, which can be cleaved from both the reducing and non-reducing ends to release disaccharides, and pentasaccharides are the smallest fragments for recognition and hydrolysis. These observations provide new insights into the degradation of hyaluronan and the evolutionary relationships of the GH79 family enzymes.