Percolation-Induced Ferrimagnetism from Vacancy Order in [Gua]MnFe(HCOO) Hybrid Perovskites.

We report the magnetic behavior of the hybrid perovskites [Gua]MnFe□(HCOO) (0 ≤ ≤ 0.88), showing that vacancy ordering drives bulk ferrimagnetism for > 0.6.

The pressure response of Jahn-Teller-distorted Prussian blue analogues.

Jahn-Teller (JT) distorted Cu-containing compounds often display interesting structural and functional behaviour upon compression. We use high-pressure X-ray and neutron diffraction to investigate four JT-distorted Prussian blue analogues: Cu[Co(CN)], CuPt(CN), and ACuCo(CN) (A = Rb, Cs), where the first two were studied in both their hydrated and dehydrated forms. All compounds are less compressible than the JT-inactive Mn-based counterparts, indicating a coupling between the electronic and mechanical properties.

How Reproducible is the Synthesis of Zr-Porphyrin Metal-Organic Frameworks? An Interlaboratory Study.

Metal-organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same building blocks, which complicates the phase selectivity. Likewise, the high sensitivity to slight changes in synthesis conditions may cause reproducibility issues.

Shear wave elastography and shear wave dispersion correlated to biopsy at the scheduled follow-up of pediatric liver grafts.

Background: It is unknown how shear wave dispersion (SWD) is displayed in pediatric liver transplant recipients and not fully elucidated how ultrasound shear wave elastography (2D-SWE) display within this cohort, which is important to determine to improve noninvasive surveillance of these patients. The study aimed to compare SWE and SWD values with histopathology in pediatric liver recipients.

Methods: Forty-eight pediatric liver recipients were examined with SWE in conjunction with an elective liver biopsy (clinically without complication).

Transabdominal ultrasound of rectal diameter in healthy infants: a prospective cohort study during the first year of life.

Aim: Transabdominal rectal ultrasound (TRU) is used to measure transverse rectal diameter (TRD) in order to diagnose functional constipation (FC) and megarectum, and to evaluate treatment. The proposed cut-off value is 3.0 cm.

Variability in X-ray induced effects in [Rh(COD)Cl] with changing experimental parameters.

X-ray characterisation methods have undoubtedly enabled cutting-edge advances in all aspects of materials research. Despite the enormous breadth of information that can be extracted from these techniques, the challenge of radiation-induced sample change and damage remains prevalent. This is largely due to the emergence of modern, high-intensity X-ray source technologies and the growing potential to carry out more complex, longer duration or studies.

Radiation effects, zero thermal expansion, and pressure-induced phase transition in CsMnCo(CN).

The Prussian blue analogue CsMnCo(CN) is studied using powder X-ray and neutron diffraction under variable temperature, pressure, and X-ray exposure. It retains cubic 4̄3 symmetry in the range 85-500 K with minimal thermal expansion, whereas a phase transition to 4̄2 occurs at ∼2 GPa, driven by octahedral tilting. A small lattice contraction occurs upon increased X-ray dose.

Shear Wave Elastography in the Differentiation of Nonfibrotic Versus Fibrotic Liver Disease in Children: A Prospective Study With Histological Correlation.

Unlabelled: To evaluate the diagnostic accuracy of ultrasound shear wave elastography (SWE) prospectively and to determine cutoff value for nonfibrotic liver tissue in children with suspected or established liver disease.

Methods: In 90 consecutive pediatric patients, standardized 2D-SWE was performed during general anesthesia and free breathing. Liver stiffness was estimated with SWE followed by a percutaneous biopsy from the corresponding area.

Tilt and shift polymorphism in molecular perovskites.

Molecular perovskites, ABX coordination polymers with a perovskite structure, are a chemically diverse material platform for studying fundamental and applied materials properties such as barocalorics and improper ferroelectrics. Compared to inorganic perovskites, the use of molecular ions on the A- and X-site of molecular perovskites leads to new geometric and structural degrees of freedom. In this work we introduce the concept of tilt and shift polymorphism, categorising irreversible perovskite-to-perovskite phase transitions in molecular perovskites.

Negative X-ray expansion in cadmium cyanide.

Cadmium cyanide, Cd(CN), is a flexible coordination polymer best studied for its strong and isotropic negative thermal expansion (NTE) effect. Here we show that this NTE is actually X-ray-exposure dependent: Cd(CN) contracts not only on heating but also on irradiation by X-rays. This behaviour contrasts that observed in other beam-sensitive materials, for which X-ray exposure drives lattice expansion.

Single-step synthesis and interface tuning of core-shell metal-organic framework nanoparticles.

Control over the spatial distribution of components in metal-organic frameworks has potential to unlock improved performance and new behaviour in separations, sensing and catalysis. We report an unprecedented single-step synthesis of multi-component metal-organic framework (MOF) nanoparticles based on the canonical ZIF-8 (Zn) system and its Cd analogue, which form with a core-shell structure whose internal interface can be systematically tuned. We use scanning transmission electron microscopy, X-ray energy dispersive spectroscopy and a new composition gradient model to fit high-resolution X-ray diffraction data to show how core-shell composition and interface characteristics are intricately controlled by synthesis temperature and reaction composition.

Probing the Influence of Defects, Hydration, and Composition on Prussian Blue Analogues with Pressure.

The vast compositional space of Prussian blue analogues (PBAs), formula AM[M'(CN)]·HO, allows for a diverse range of functionality. Yet, the interplay between composition and physical properties-e.g.

Hybrid Perovskites, Metal-Organic Frameworks, and Beyond: Unconventional Degrees of Freedom in Molecular Frameworks.

ConspectusThe structural degrees of freedom of a solid material are the various distortions most straightforwardly activated by external stimuli such as temperature, pressure, or adsorption. One of the most successful design strategies in materials chemistry involves controlling these individual distortions to produce useful collective functional responses. In a ferroelectric such as lead titanate, for example, the key degree of freedom involves asymmetric displacements of Pb and Ti cations; it is by coupling these together that the system as a whole interacts with external electric fields.

A new polar perovskite coordination network with azaspiroundecane as A-site cation.

ABX3 perovskite coordination networks are a rapidly growing sub-class of crystalline coordination networks. At present, synthetic efforts in the field are dominated by the use of commercially available building blocks, leaving the potential for tuning properties via targeted compositional changes largely untouched. Here we apply a rational crystal engineering approach, using 6-azaspiro[5.

Spin crossover in the Prussian blue analogue FePt(CN) induced by pressure or X-ray irradiation.

The spin state of the Prussian blue analogue FePt(CN) is investigated in response to temperature, pressure, and X-ray irradiation. While cooling to 10 K maintains the high-spin state of Fe, compression at ambient temperature induces a first-order spin-crossover (SCO) transition with a small hysteresis loop (p↑ = 0.8 GPa, p↓ = 0.

Objective measurement of attention deficit hyperactivity disorder symptoms outside the clinic using the QbCheck: Reliability and validity.

Objective measurements of ADHD symptom levels can be a highly valuable complement to ratings. However, sometimes it is not feasible to bring patients into the clinic/lab for assessment. The aim of the present study was therefore to evaluate the psychometric properties of the QbCheck, an online computerized test that measures errors and reaction time as well as activity during testing using the computer's built-in web camera.

Hidden diversity of vacancy networks in Prussian blue analogues.

Prussian blue analogues (PBAs) are a diverse family of microporous inorganic solids, known for their gas storage ability, metal-ion immobilization, proton conduction, and stimuli-dependent magnetic, electronic and optical properties. This family of materials includes the double-metal cyanide catalysts and the hexacyanoferrate/hexacyanomanganate battery materials. Central to the various physical properties of PBAs is their ability to reversibly transport mass, a process enabled by structural vacancies.

Ordered B-Site Vacancies in an ABX Formate Perovskite.

We report the synthesis and structural characterization of the ABX perovskite frameworks [C(NH)]Mn(Fe,□)(HCOO) (□ = B-site vacancy). For large , the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications.

Structure and thermal expansion of the distorted Prussian blue analogue RbCuCo(CN).

The structure and thermal expansion of the Prussian blue analogue RbCuCo(CN)6 has been determined via neutron and X-ray powder diffraction. The system crystallises in Cccm and harbours three coexisting distortions relative to the parent Fm3[combining macron]m structure, which leads to anisotropic thermal expansion with a near-zero component in one direction. The difficulties associated with determining octahedral tilt systems in Prussian blue analogues and related double molecular perovskites are discussed.

Ferroic multipolar order and disorder in cyanoelpasolite molecular perovskites.

We use a combination of variable-temperature high-resolution synchrotron X-ray powder diffraction measurements and Monte Carlo simulations to characterize the evolution of two different types of ferroic multipolar order in a series of cyanoelpasolite molecular perovskites. We show that ferroquadrupolar order in [CNH]Rb[Co(CN)] is a first-order process that is well described by a four-state Potts model on the simple cubic lattice. Likewise, ferrooctupolar order in [NMe]B[Co(CN)] (B = K, Rb, Cs) also emerges via a first-order transition that now corresponds to a six-state Potts model.

High-pressure behaviour of Prussian blue analogues: interplay of hydration, Jahn-Teller distortions and vacancies.

We report a high-pressure crystallographic study of four hydrated Prussian blue analogues: M[Pt(CN)] and M[Co(CN)] (M = Mn, Cu) in the range 0-3 GPa. Mn[Co(CN)] was studied by single-crystal X-ray diffraction, whereas the other systems were only available in polycrystalline form. The Mn-containing compounds undergo pressure-induced phase transitions from Fm3[combining macron]m to R3[combining macron] at ∼1.

Recipes for improper ferroelectricity in molecular perovskites.

The central goal of crystal engineering is to control material function via rational design of structure. A particularly successful realisation of this paradigm is hybrid improper ferroelectricity in layered perovskite materials, where layering and cooperative octahedral tilts combine to break inversion symmetry. However, in the parent family of inorganic ABX perovskites, symmetry prevents hybrid coupling to polar distortions.