Acta Crystallogr B Struct Sci Cryst Eng Mater
April 2023
Three-dimensional difference pair distribution functions (3D-ΔPDFs) from X-ray and neutron diffraction experiments are reported for yttria-stabilized zirconia (ZrYO). A quantitative analysis of the signatures in the three-dimensional difference pair distribution functions is used to establish that oxygen ions neighbouring a vacancy shift by 0.525 (5) Å along ⟨1, 0, 0⟩ towards the vacancy while metal ions neighbouring a vacancy shift by 0.
View Article and Find Full Text PDFUsing a series of time- and temperature-resolved synchrotron diffraction experiments, the relationship between multiple polymorphs of ZnCl and its respective hydrates is established. The δ-phase is found to be the pure anhydrous phase, while the α, β, and γ phases result from partial hydration. Diffraction, gravimetric, and calorimetric measurements across the entire ZnCl· HO, 0 > > ∞ composition range using ultrapure, doubly sublimed ZnCl establish the ZnCl : HO phase diagram.
View Article and Find Full Text PDFIntroduction: Disease eradication requires a long time and efficient management as compared to disease control program. After successful small pox eradication, polio virus causing poliomyelitis is choice for next eradication. The corner stone of the global polio eradication initiative is the immunization of children with multiple doses of Oral Polio Vaccine (OPV) through both Routine Immunization (RI) and Supplemental Immunization Activities (SIAs).
View Article and Find Full Text PDFRecent calls for improvement in undergraduate education within STEM (science, technology, engineering, and mathematics) disciplines are hampered by the methods used to evaluate teaching effectiveness. Faculty members at research universities are commonly assessed and promoted mainly on the basis of research success. To improve the quality of undergraduate teaching across all disciplines, not only STEM fields, requires creating an environment wherein continuous improvement of teaching is valued, assessed, and rewarded at various stages of a faculty member's career.
View Article and Find Full Text PDFThe recently described ionic liquid structure of the three equivalent hydrate of zinc chloride (ZnCl2·R H2O, R = 3, existing as [Zn(OH2)6][ZnCl4]) explains the solubility of cellulose in this medium. Only hydrate compositions in the narrow range of 3 - x < R < 3 + x with x ≈ 1 dissolve cellulose. Once dissolved, the cellulose remains in solution up to the R = 9 hydrate.
View Article and Find Full Text PDFThe water/ZnCl(2) phase diagram in the vicinity of the 75 mol % water composition is reported, demonstrating the existence of a congruently melting phase. Single crystals of this 3-equiv hydrate were grown, and the crystal structure of [Zn(OH(2))(6)][ZnCl(4)] was determined. Synchrotron X-ray and neutron diffraction and IR and Raman spectroscopy along with reverse Monte Carlo modeling demonstrate that a CsCl-type packing of the molecular ions persists into the liquid state.
View Article and Find Full Text PDFThe thermal- and photoinduced valence tautomerism of a cobalt bis(dioxolene) complex is described. The thermal conversion is precipitous, complete within 10 K, and is accompanied by a 5 K hysteresis loop (107 K < T(1/2) < 112 K). Rapid thermal quenching (300 K --> 10 K in ca.
View Article and Find Full Text PDFA novel phosphate/oxalate inorganic-organic hybrid material has been prepared to elucidate synthesis and bonding characteristics of iron(III) with both phosphate and organic matter (OM). Such mixed anion bonding of inorganic oxyanions and OM to iron(III) and aluminum(III) in environmental systems has been proposed but not proven, mainly because of the complexity of natural geochemical matrices. The compound reported here with the molecular formula of [C(3)H(12)N(2)](2)[Fe(5)(C(2)O(4))(2)(H(x)PO(4))(8)] (I) was hydrothermally synthesized and characterized by single crystal X-ray diffraction and X-ray absorption spectroscopy (XAS).
View Article and Find Full Text PDFSample preparation techniques for carbohydrate analysis using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) are explored, with particular emphasis on analyte/matrix co-crystallization procedures. While carbohydrates are known to prefer 2,5-dihydroxybenzoic acid (2,5-DHB) as the matrix of choice, these analytes are quite specific about matrix crystal structure, which in turn is dependent on the rate of drying of analyte/matrix spots on the MALDI target. With N-acetylglucosamine (GlcNAc) and N-acetylneuraminic acid (sialic acid or NeuAc) as test monosaccharides, significant increases in ion abundances are demonstrated with 2,5-DHB/NeuAc spots (>10-fold improvement) and 2,5-DHB/GlcNAc spots ( approximately 5-fold improvement) with active drying.
View Article and Find Full Text PDFCarbonyl adducts to CuMCl(4) (M = Al and Ga) have been characterized by single-crystal and/or powder X-ray diffraction, IR and diffuse reflectance UV/vis spectroscopy. Up to two equivalents of carbon monoxide ( approximately 200 cm(3)/g relative to stp) are sorbed at room temperature, with equilibrium binding pressures of below 0.5 atm of CO.
View Article and Find Full Text PDFThe pathogenesis of vibration-induced disorders of intervertebral disc at the cellular level is largely unknown. Dynamic loads with frequencies close to that of the in vivo human spine resonant frequency (4-6 Hz) have a destructive effect, which may induce extracellular disc matrix (ECM) degradation. To investigate this issue, three-dimensional (3D) alginate cultures of normal pig intervertebral disc nucleus and inner annulus cells were tested under dynamic hydrostatic loading.
View Article and Find Full Text PDFLiquid crystals consist of anisotropic molecular units, and most are organic molecules. Materials incorporating metals into anisotropic molecules, described as metallomesogens, have been prepared. Anisotropic structures such as one-dimensional chains and two-dimensional layers are frequently observed in solid-state inorganic materials, however, little is understood about structural organization in melts of such materials.
View Article and Find Full Text PDFStructural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence.
View Article and Find Full Text PDFPhosphate sorption on Fe- and Al-oxide minerals helps regulate the solubility and mobility of P in the environment. The objective of this study was to characterize phosphate adsorption and precipitation in single and binary systems of Fe- and Al-oxide minerals. Varying concentrations of phosphate were reacted for 42 h in aqueous suspensions containing goethite, ferrihydrite, boehmite, or noncrystalline (non-xl) Al-hydroxide, and in 1:1 (by mass) mixed-mineral suspensions of goethite/boehmite and ferrihydrite/ non-xl Al-hydroxide at pH 6 and 22 degrees C.
View Article and Find Full Text PDFThermoplastic elastomer gels (TPEGs), molecular networks composed of a microphase-separated multiblock copolymer swollen to a large extent by a low-volatility midblock-selective solvent, are ubiquitous in a wide range of contemporary technologies, including home and office products, athletic equipment, and telecommunications devices. In this work, we investigate the effect of several network-forming nanoscale modifiers-two different silica nanoparticles, three different nanoclays, and a multiwalled carbon nanotube-on the property and morphology development of a TPEG prepared from a microphase-ordered poly(styrene-b-(ethylene-co-butylene)-b-styrene) (SEBS) triblock copolymer imbibed with an EB-compatible aliphatic mineral oil. Dynamic rheological measurements of the resultant nanocomposite TPEGs confirm that addition of these modifiers affects the linear viscoelastic threshold and increases, to different extents, the dynamic elastic modulus, the dynamic yield stress, and the maximum operating temperature of the parent TPEG.
View Article and Find Full Text PDFThe utility of the solvothermal dehydration strategy whereby superheated acetonitrile reacts with water of hydration to form ammonium acetate is demonstrated in the synthesis of [NH(4)]MnCl(2)(OAc), I, and [NH(4)](2)MnCl(4)(H(2)O)(2), II, from MnCl(2).4H(2)O. The structure of I is shown to crystallize in the monoclinic space group C2/c (No.
View Article and Find Full Text PDFThree ethylene adducts to CuAlCl(4) have been characterized by single crystal and/or powder X-ray diffraction, (13)C, (27)Al and (63)Cu MAS NMR and diffuse reflectance UV-vis spectroscopy. (C(2)H(4))(2)CuAlCl(4), a = 7.1274(5) b = 12.
View Article and Find Full Text PDFSeemingly coincidental occurrence of various pathological conditions may derive from common etiologic denominators. While reviewing 240 malpractice claims involving shoulder dystocia related fetal injuries, we found two antenatal complications in the background conspicuously often. Chronic or pregnancy induced hypertension was identifiable in 80 instances (33%).
View Article and Find Full Text PDFAmorphous materials are commonly understood to consist of random organizations of molecular-type structural units. However, it has long been known that structural organizations intermediate between discrete chemical bonds and periodic crystalline lattices are present even in liquids. Numerous models--including random networks and crystalline-type structures with networks composed of clusters and voids--have been proposed to account for this intermediate-range order.
View Article and Find Full Text PDFMagnetic and electrical resistivity properties of RMo(8)O(14) (R = La, Ce, Pr, Nd, Sm) compounds containing different bicapped-octahedral Mo(8) clusters are discussed. Extended Hückel (EH) molecular calculations were carried out in order to study the influence of the position of metal capping atoms on the electronic structure of different Mo(8) isomers. Different optimal metal electron counts are possible for these clusters.
View Article and Find Full Text PDFAviat Space Environ Med
June 2002
Background: Evidence for a causal relationship between decompression sickness (DCS) and leukocyte sequestration was assessed in a rat model based on the effects of interventions which impede cell-to-cell adherence, including hyperbaric oxygen therapy (HBO2).
Hypothesis: We hypothesized that leukocyte adhesion to vessels may play a role in DCS.
Methods: Rats were subjected to decompression stress and their ability to ambulate on a rotating drum was assessed to quantify functional neurological deficits.
The solvothermal reaction of CuCl and ZrCl(4) in benzene yields ((bz)CuCl(3))(2)Zr (1) (bz = eta(2)-benzene), which has been characterized by single-crystal X-ray diffraction with a = 6.1206(4) Å, b = 11.1242(4) Å, c = 13.
View Article and Find Full Text PDFRapid quenching of a melt of CuCl and AlCl(3) results in the formation of the metastable framework structure, beta-CuAlCl(4). The structure, determined by single-crystal X-ray crystallography (space group Pna2(1), a = 12.8388(5) Å, b = 7.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 1998
A two-coordinate cationic link between [CuCl ] tetrahedra by means of two inversion-related dialkylammonium cations yields the hydrogen-bonded A X anti-cristobalite framework [{(H NEt ) } (CuCl )] . This novel cationic framework is constructed around space-filling and templating [AlCl ] anions resulting in large pores (16.6×6.
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