Transient behaviour of magnetic micro-bead chains rotating in a fluid by external fields

Magnetic micro-beads can facilitate many functions in lab-on-a-chip systems, such as bio-chemical labeling, selective transport, magnetic sensing and mixing. In order to investigate potential applications of magnetic micro-beads for mixing in micro fluidic systems, we developed a pin-jointed mechanism model that allows analysing the behaviour of rotating superparamagnetic bead chains. Our numerical model revealed the response of the chains on a rotating magnetic field over time. We could demonstrate that the governing parameters are the Mason number and number of beads in the chain. The results are in agreement with the simplified analytical model, assuming a straight chain, but also allow prediction of the transient chain shape. The modelled chains develop an anti-symmetric S-shape that is stable, if the Mason number for a given chain length does not surpass a critical value. Above that value, rupture occurs in the vicinity of the chain centre. However, variations in bead susceptibility can shift the location of rupture. Moreover, we performed experiments with superparamagnetic micro-beads in a small fluid volume exposed to a uniform rotating magnetic field. Our simulation could successfully predict the observed transient chain form and the time for chain rupture. The developed model can be used to design optimised bead based mixers in micro fluidic systems.     

Synthesis,Structure, and Properties of the High‐Pressure Modification of CePdSn – a 5 K Antiferromagnet

The high‐pressure (HP) modification of CePdSn was synthesized under multianvil high‐pressure (10.5 GPa) high‐temperature (1100 °C) conditions from the normal‐pressure (NP) modification. The structures of both modifications were studied by X‐ray powder and single crystal diffraction: TiNiSi type, Pnma, a = 754.1(2), b = 470.6(1), c = 798.4(3) pm, wR2 = 0.0333, 945 F² values, 20 variables for NP‐CePdSn and ZrNiAl type, , a = 760.03(5), c = 416.06(3) pm, wR2 = 0.0443, 248 F² values, 13 variables for HP‐CePdSn. The structural chemistry of both modifications is goverened by platinum centered trigonal prisms. The platinum and tin atoms in NP‐CePdSn and HP‐CePdSn build up a three‐dimensional [PdSn] network in which the cerium atoms fill channels. Susceptibility measurements on HP‐CePdSn reveal an experimental magnetic moment of 2.55(1) μ_B/Ce atom in the paramagnetic region. At 5 K a paramagnetic‐to‐antiferromagnetic transition is evident from magnetization and specific heat measurements.     

New Silver Tellurates – The Crystal Structures of a Third Modification of Ag2Te2O6 and of Ag4TeO5

Single crystals of a third modification of Ag₂Te₂O₆ (denoted as Ag₂Te₂O₆–III) and of Ag₄TeO₅ have been obtained as minor by‐products during hydrothermal phase formation experiments in the system Ag‐Hg‐Te‐O. The crystal structure of Ag₂Te₂O₆–III (P2₁/c, Z = 4, a = 6.4255(10), b = 6.9852(11), c = 13.204(2) Å, β = 90.090(3)°, 1885 independent reflections, R[F² > 2σ(F²)] = 0.0334, wR2(F² all) = 0.0817) comprises tellurium in oxidation states +IV and +VI and is topologically related to the structure of the Ag₂Te₂O₆–I modification, which consists of similar layers and interjacent layers of Ag⁺ cations. Ag₄TeO₅ (C2/c, Z = 8, a = 16.271(2), b = 6.0874(10), c = 11.4373(16) Å, β = 106.730(10)°, 2372 independent reflections, R[F² > 2σ(F²)] = 0.0288, wR2(F² all) = 0.0737) is made up of a layer‐like arrangement of isolated [Te^VI₂O₁₀] double octahedra and of Ag⁺ cations situated both in layers parallel and inside the layers of the anionic moieties.     

The inconsistency in adsorption properties and powder XRD data of MOF-5 is rationalized by framework interpenetration and the presence of organic and inorganic species in the nanocavities

MOF-5 is the archetype metal-organic framework and has been subjected to numerous studies the past few years. The focal point of this report is the pitfalls related to the MOF-5 phase identification based on powder XRD data. A broad set of conditions and procedures have been reported for MOF-5 synthesis. These variations have led to materials with substantially different adsorption properties (specific surface areas in the range 700 to 3400 m(2)/g). The relatively low weight loss observed for some as synthesized samples upon solvent removal is also indicative of a low pore volume. Regrettably, these materials have all been described as MOF-5 without any further comments. Furthermore, the reported powder XRD patterns hint at structural differences: The variations in surface area are accompanied by peak splitting phenomena and rather pronounced changes in the relative peak intensities in the powder XRD patterns. In this work, we use single-crystal XRD to investigate structural differences between low and high surface area MOF-5. The low surface area MOF-5 sample had two different classes of crystals. For the dominant phase, Zn(OH)2 species partly occupied the cavities. The presence of Zn species makes the hosting cavity and possibly also adjacent cavities inaccessible and thus efficiently reduces the pore volume of the material. Furthermore, the minor phase consisted of doubly interpenetrated MOF-5 networks, which lowers the adsorption capacity. The presence of Zn species and lattice interpenetration changes the symmetry from cubic to trigonal and explains the peak splitting observed in the powder XRD patterns. Pore-filling effects from the Zn species (and partly the solvent molecules) are also responsible for the pronounced variations in powder XRD peak intensities. This latter conclusion is particularly useful for predicting the adsorption properties of a MOF-5-type material from powder XRD.     

Two polymorphic forms of 2,5‐bis(4‐methoxy­carbonyl­phenyl)‐1,3,4‐oxa­diazo­le

The title compound [systematic name: di­methyl 4,4′‐(1,3,4‐oxa­diazole‐2,5‐diyl)­di­phenyl­enedi­carboxyl­ate], C₁₈H₁₄N₂O₅, crystallizes under similar conditions in two different ortho­rhombic crystalline forms. In both forms, the mol­ecule consists of two equivalent parts. In form 1, these parts are related by a twofold axis of space group Pbcn, and in form 2, by a mirror plane of space group Cmc2₁. The O atom of the oxa­di­azole ring occupies a special position on the twofold axis and on the mirror plane in forms 1 and 2, respectively.     

Synthetic Activators of Cell Migration Designed by Constructive Machine Learning

Constructive machine learning aims to create examples from its learned domain which are likely to exhibit similar properties. Here, a recurrent neural network was trained with the chemical structures of known cell-migration modulators. This machine learning model was used to generate new molecules that mimic the training compounds. Two top-scoring designs were synthesized, and tested for functional activity in a phenotypic spheroid cell migration assay. These computationally generated small molecules significantly increased the migration of medulloblastoma cells. The results further corroborate the applicability of constructive machine learning to the de novo design of druglike molecules with desired properties.     

Effect of current density on the microstructure and corrosion behaviour of plasma electrolytic oxidation treated AM50 magnesium alloy

Plasma electrolytic oxidation (PEO) of an AM50 magnesium alloy was accomplished in a silicate-based electrolyte using a DC power source. Coatings were produced at three current densities, i.e. 15 mA cm⁻², 75 mA cm⁻², and 150 mA cm⁻² and were characterised for thickness, roughness, microstructural morphology, phase composition, and corrosion resistance. Even though the 15 min treated coatings produced at higher current density levels were thicker, they showed poor corrosion resistance when compared to that of the coatings obtained at 15 mA cm⁻². Short-term treatments (2 min and 5 min) at 150 mA cm⁻² yielded coatings of thickness and corrosion resistance comparable to that of the low current density coatings. The superior corrosion resistance of the low thickness coatings is attributed to the better pore morphology and compactness of the layer.     

New Rare‐Earth Metal Germanides RE2Ge9 (RE = Nd,Sm) by Thermal Decomposition of High‐Pressure Phases REGe5

The rare‐earth metal germanides RE₂Ge₉ (RE = Nd, Sm) have been prepared by thermal decomposition of the metastable high‐pressure phases REGe₅ at ambient pressure. The compounds adopt an orthorhombic unit cell with a = 396.34(4) pm; b = 954.05(8) pm and c = 1238.4(1) pm for Nd₂Ge₉ and a = 395.46(7) pm; b = 946.4(2) pm and c = 1232.1(3) pm for Sm₂Ge₉. Crystal structure refinements reveal space group Pmmn (No. 59) for Nd₂Ge₉. The atomic pattern resembles an ordered defect variety of the pentagermanide motif REGe₅ (RE = La; Nd, Sm, Gd, Tb) comprising corrugated germanium layers. These condense into a three‐dimensional network interconnected by eight‐coordinated germanium atoms. The resulting framework channels along [100] enclose the neodymium atoms. With respect to the atomic arrangement of the pentagermanides, half of the interlayer germanium atoms are eliminated in an ordered way so that occupied and empty germanium columns alternate along [001]. The rare‐earth metal atoms of both types of compounds, REGe₅ and RE₂Ge₉, exhibit the electronic states 4f ³ and 4f ⁵ (oxidation state +3) for neodymium and samarium, respectively, evidencing that the modification of the germanium network leaves the electron configuration of the metal atoms unaffected.