Exploring the full range of N⋯I⋯X halogen-bonding interactions within a single compound using pressure.

The response of the trimethylammonium-iodinechloride and diiodide (TMA-ICl/I) crystal structures have been examined under high pressure using neutron powder diffraction. TMA-ICl exhibits impressive pressure-driven electronic flexibility, where the N⋯I-Cl interactions progressively encompass all the distances represented in analogous structures recorded in the Cambridge Structural Database. Comparison with the TMA-I complex reveals that this flexibility is owed to the electronegativity of the chlorine atom which induces increased distortion of the iodine electron cloud.

Delayed union, non-union and mal-union in 442 dogs.

Objectives: (1) To estimate the prevalence of delayed union, non-union and mal-union in canine fractures; (2) to describe fracture, demographic, and treatment characteristics for these outcomes; (3) to identify risk factors for delayed or non-union.

Study Design: Retrospective study.

Sample Population: Four hundred and forty two dogs (461 fractures).

Pressure-Induced Polymorphism of Caprolactam: A Neutron Diffraction Study.

Caprolactam, a precursor to nylon-6 has been investigated as part of our studies into the polymerization of materials at high pressure. Single-crystal X-ray and neutron powder diffraction data have been used to explore the high-pressure phase behavior of caprolactam; two new high pressure solid forms were observed. The transition between each of the forms requires a substantial rearrangement of the molecules and we observe that the kinetic barrier to the conversion can aid retention of phases beyond their region of stability.

Nanoscale Coatings for Ultralow Dose BMP-2-Driven Regeneration of Critical-Sized Bone Defects.

While new biomaterials for regenerative therapies are being reported in the literature, clinical translation is slow. Some existing regenerative approaches rely on high doses of growth factors, such as bone morphogenetic protein-2 (BMP-2) in bone regeneration, which can cause serious side effects. An ultralow-dose growth factor technology is described yielding high bioactivity based on a simple polymer, poly(ethyl acrylate) (PEA), and mechanisms to drive stem cell differentiation and bone regeneration in a critical-sized murine defect model with translation to a clinical veterinary setting are reported.

Pressure-structure relationships in the 10 K layered carbide halide superconductor Y2C2I2.

The electronic structures of the 10 K layered yttrium carbide halide superconductor Y2C2I2 is characterized by bands of low dispersion and narrow peak-valley features in the electronic density of states at the Fermi level. In order to investigate to what extent the superconducting properties can be modified by external pressure we have studied the pressure dependence of the superconducting critical temperature and the crystal structure of Y2C2I2 to pressures of 7.4 GPa.

Investigation of Methacrylic Acid at High Pressure Using Neutron Diffraction.

This article shows that pressure can be a low-intensity route to the synthesis of polymethacrylic acid. The exploration of perdeuterated methacrylic acid at high pressure using neutron diffraction reveals that methacrylic acid exhibits two polymorphic phase transformations at relatively low pressures. The first is observed at 0.

The effect of temperature and pressure on the crystal structure of piperidine.

Background: The response of molecular crystal structures to changes in externally applied conditions such as temperature and pressure are the result of a complex balance between strong intramolecular bonding, medium strength intermolecular interactions such as hydrogen bonds, and weaker intermolecular van der Waals contacts. At high pressure the additional thermodynamic requirement to fill space efficiently becomes increasingly important.

Results: The crystal structure of piperidine-d11 has been determined at 2 K and at room temperature at pressures between 0.

Investigation of acrylic acid at high pressure using neutron diffraction.

This article details the exploration of perdeuterated acrylic acid at high pressure using neutron diffraction. The structural changes that occur in acrylic acid-d4 are followed via diffraction and rationalized using the Pixel method. Acrylic acid undergoes a reconstructive phase transition to a new phase at ∼ 0.

Pressure-induced intersite Bi-M (M=Ru, Ir) valence transitions in hexagonal perovskites.

Pressure-induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba(3+n)BiM(2+n)O(9+3n) (n=0,1; M=Ir,Ru). These compounds show first-order, circa 1% volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when the 6s shell is emptied on oxidation, compared to the relatively negligible effect of reduction on the radii of Ir or Ru. They are the first such transitions involving 4d and 5d compounds, and they double the total number of cases known.

Maxillomandibular circular external skeletal fixation for repair of bilateral fractures of the caudal aspect of the mandible in a dog.

Objective: To describe the novel use of circular external skeletal fixation (CESF) for repair of bilateral fractures of the caudal aspect of the mandibles.

Study Design: Clinical report.

Animals: A 5-month-old female Newfoundland.

Pressure-cooking of explosives--the crystal structure of epsilon-RDX as determined by X-ray and neutron diffraction.

The high-pressure, high-temperature epsilon-form of the widely used explosive RDX has been structurally characterised using a combination of diffraction techniques, and a sample of this form has been successfully recovered to ambient pressure.

Octahedral tilting in Pb-based relaxor ferroelectrics at high pressure.

We have employed a combination of powder neutron diffraction and single-crystal synchrotron X-ray diffraction to characterize the pressure-induced phase transitions that occur in the perovskite-type relaxor ferroelectric PbSc(0.5)Ta(0.5)O(3) (PST) and Pb(0.

The effect of weight loss on lameness in obese dogs with osteoarthritis.

This paper describes the effect of weight loss on lameness in obese dogs with osteoarthritis (OA). Fourteen obese client-owned dogs with clinical and radiographic signs of OA participated in an open prospective clinical trial. After a screening visit and a visit for collection of baseline data, the dogs were fed a restricted-calorie diet over a study period of 16 weeks that incorporated six follow-up visits.

The crystal structure of beta-RDX-an elusive form of an explosive revealed.

The crystal structure of the highly metastable beta-form of RDX shows that the molecules adopt different conformations compared to the alpha-form and that, contrary to previous reports, the beta-form obtained at ambient pressure is not the same form as that obtained at elevated temperatures and pressures.

Temperature- and pressure-induced proton transfer in the 1:1 adduct formed between squaric acid and 4,4'-bipyridine.

We have applied a combination of spectroscopic and diffraction methods to study the adduct formed between squaric acid and bypridine, which has been postulated to exhibit proton transfer associated with a single-crystal to single-crystal phase transition at ca. 450 K. A combination of X-ray single-crystal and very-high flux powder neutron diffraction data confirmed that a proton does transfer from the acid to the base in the high-temperature form.

In situ characterization of elusive salt hydrates. The crystal structures of the heptahydrate and octahydrate of sodium sulfate.

An important intermediate phase in the crystallization of aqueous solutions of sodium sulfate is the highly metastable sodium sulfate heptahydrate (Na(2)SO(4).7H(2)O). This has been structurally characterized for the first time by in situ single crystal X-ray diffraction.

A new high pressure phase of sodium formate dihydrate; an experimental and computational study.

As part of an on-going programme to study the high pressure structural behaviour of hydrated small molecular systems, sodium formate dihydrate has been studied using high pressure single crystal X-ray and neutron powder diffraction methods. A new phase was initially identified at 17 kbar by X-ray diffraction and high level quantum mechanical calculations completed the structure, allowing definitive hydrogen atom positioning. The resulting structure compared favourably with that found subsequently by high pressure neutron diffraction.

High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa.

The hydrostatic compression of L-serine-d(7) has been studied to 8.1 GPa by neutron powder diffraction. Over the course of this pressure range the compound undergoes two phase transitions, the first between 4.

High-pressure neutron diffraction study of superhydrated natrolite.

Neutron powder diffraction data were collected on a sample of natrolite and a 1:1 (v/v) mixture of perdeuterated methanol and water at a pressure of 1.87(11) GPa. The natrolite sample was superhydrated, with a water content double that observed at ambient pressure.