Anion packing density: a universal quantity for both dense and porous crystalline inorganic phases

2002 ◽  
Vol 58 (3) ◽  
pp. 457-462 ◽  
Author(s):  
F. Liebau ◽  
H. Küppers

To compare densities of inorganic high-pressure phases their molal volumes or specific gravities are usually employed, whereas for zeolites and other microporous materials the so-called framework density, FD, is applied. The definition of FD, which refers only to phases with three-dimensional tetrahedron frameworks, is extended to a `generalized framework density' d f, which is independent of the dimensionality of the framework and the coordination number(s) of the framework cations. In this paper the anion packing density, d ap, is introduced as a new quantity which is not only applicable to any inorganic phase but, in contrast to FD and d f, also allows quantitative comparisons to be made for crystalline inorganic phases of any kind. The anion packing density can readily be calculated if the volume and content of the unit cell and the radii of the anions of a phase are known. From d ap values calculated for high-pressure silica polymorphs studied under very high pressure, it is concluded that Shannon–Prewitt effective ionic radii do not sufficiently take into account the compressibility of the anions.

Inorganics ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 48 ◽  
Author(s):  
Matteo Savastano ◽  
Álvaro Martínez-Camarena ◽  
Carla Bazzicalupi ◽  
Estefanía Delgado-Pinar ◽  
José Llinares ◽  
...  

Polyiodide chemistry is among the first historically reported examples of supramolecular forces at work. To date, owing to the increasingly recognized role of halogen bonding and the incorporation of iodine-based components in several devices, it remains an active field of theoretical and applied research. Herein we re-examine azacyclophanes as a class of ligands for the stabilization of iodine-dense three-dimensional networks, showing how we devised novel possible strategies starting from literature material. The new set of azacyclophane ligands affords novel crystal structures possessing intriguing properties, which develop on a double layer. At a macroscopic level, the obtained networks possess a very high iodine packing density (less than 2 times more diluted than crystalline I2): a simple parameter, IN, is also introduced to quickly measure and compare iodine packing density in different crystals. On the microscopic level, the present study provides evidence about the ability of one of the ligands to act as a three-dimensional supramolecular mold for the template synthesis of the rarely observed heptaiodide (I7−) anion. Therefore, we believe our approach and strategy might be relevant for crystal engineering purposes.


Author(s):  
Robert D. Nelson ◽  
Sharon R. Hasslen ◽  
Stanley L. Erlandsen

Receptors are commonly defined in terms of number per cell, affinity for ligand, chemical structure, mode of attachment to the cell surface, and mechanism of signal transduction. We propose to show that knowledge of spatial distribution of receptors on the cell surface can provide additional clues to their function and components of functional control.L-selectin and Mac-1 denote two receptor populations on the neutrophil surface that mediate neutrophil-endothelial cell adherence interactions and provide for targeting of neutrophil recruitment to sites of inflammation. We have studied the spatial distributions of these receptors using LVSEM and backscatter imaging of isolated human neutrophils stained with mouse anti-receptor (primary) antibody and goat anti-mouse (secondary) antibody conjugated to 12 nm colloidal gold. This combination of techniques provides for three-dimensional analysis of the expression of these receptors on different surface membrane domains of the neutrophil: the ruffles and microvilli that project from the cell surface, and the cell body between these projecting structures.


1984 ◽  
Vol 49 (5) ◽  
pp. 1061-1078 ◽  
Author(s):  
Jiří Čeleda ◽  
Stanislav Škramovský

Based on the earlier paper introducing a concept of the apparent parachor of a solute in the solution, we have eliminated in the present work algebraically the effect which is introduced into this quantity by the additivity of the apparent molal volumes. The difference remaining from the apparent parachor after substracting the contribution corresponding to the apparent volume ( for which the present authors suggest the name metachor) was evaluated from the experimental values of the surface tension of aqueous solutions for a set of 1,1-, 1,2- and 2,1-valent electrolytes. This difference showed to be independent of concentration up to the very high values of the order of units mol dm-3 but it was directly proportional to the number of the free charges (with a proportionality factor 5 ± 1 cm3 mol-1 identical for all studied electrolytes). The metachor can be, for this reason, a suitable characteristic for detection of the association of ions and formation of complexes in the solutions of electrolytes, up to high concentrations where other methods are failing.


2019 ◽  
Vol 232 ◽  
pp. 111300
Author(s):  
Xiaogang Song ◽  
Nana Han ◽  
Xinjian Shan ◽  
Chisheng Wang ◽  
Yingfeng Zhang ◽  
...  

2020 ◽  
Vol 501 (1) ◽  
pp. L71-L75
Author(s):  
Cornelius Rampf ◽  
Oliver Hahn

ABSTRACT Perturbation theory is an indispensable tool for studying the cosmic large-scale structure, and establishing its limits is therefore of utmost importance. One crucial limitation of perturbation theory is shell-crossing, which is the instance when cold-dark-matter trajectories intersect for the first time. We investigate Lagrangian perturbation theory (LPT) at very high orders in the vicinity of the first shell-crossing for random initial data in a realistic three-dimensional Universe. For this, we have numerically implemented the all-order recursion relations for the matter trajectories, from which the convergence of the LPT series at shell-crossing is established. Convergence studies performed at large orders reveal the nature of the convergence-limiting singularities. These singularities are not the well-known density singularities at shell-crossing but occur at later times when LPT already ceased to provide physically meaningful results.


2021 ◽  
Vol 13 (8) ◽  
pp. 1537
Author(s):  
Antonio Adán ◽  
Víctor Pérez ◽  
José-Luis Vivancos ◽  
Carolina Aparicio-Fernández ◽  
Samuel A. Prieto

The energy monitoring of heritage buildings has, to date, been governed by methodologies and standards that have been defined in terms of sensors that record scalar magnitudes and that are placed in specific positions in the scene, thus recording only some of the values sampled in that space. In this paper, however, we present an alternative to the aforementioned technologies in the form of new sensors based on 3D computer vision that are able to record dense thermal information in a three-dimensional space. These thermal computer vision-based technologies (3D-TCV) entail a revision and updating of the current building energy monitoring methodologies. This paper provides a detailed definition of the most significant aspects of this new extended methodology and presents a case study showing the potential of 3D-TCV techniques and how they may complement current techniques. The results obtained lead us to believe that 3D computer vision can provide the field of building monitoring with a decisive boost, particularly in the case of heritage buildings.


2021 ◽  
Vol 28 (Supplement_1) ◽  
Author(s):  
F Anselmi ◽  
L Cavigli ◽  
A Pagliaro ◽  
S Valente ◽  
F Valentini ◽  
...  

Abstract Funding Acknowledgements Type of funding sources: None. Background. Although structured exercise training is strongly recommended in cardiac patients, uncertainties exist about the methods for determining exercise intensity (EI) and their correspondence with effective EI obtained by ventilatory thresholds. We aimed to determine the first (VT1) and second ventilatory threshold (VT2) in cardiac patients, sedentary subjects and athletes comparing VT1 and VT2 with EI defined by recommendations. Methods. We prospectively enrolled 350 subjects (mean age: 50.7 ± 12.9 years; 167 cardiac patients, 150 healthy sedentary subjects, 33 competitive endurance athletes). Each subject underwent ECG, echocardiography, and cardiopulmonary exercise testing. The percentages of peak VO2, peak heart rate (HR), and HR reserve were obtained at VT1 and VT2, and compared with EI definition proposed by the recommendations. Results. VO2 at VT1 corresponded to high rather than moderate EI in 67.1% and in 79.6% of cardiac patients, applying the definition of moderate exercise by the previous recommendations and the 2020 guidelines, respectively. Most of cardiac patients had VO2 values at VT2 corresponding to very-high rather than high EI (59.9% and 50.3%, by previous recommendations and 2020 guidelines, respectively). A better correspondence between ventilatory-thresholds and recommended EI domains was observed in healthy subjects and in athletes (90% and 93.9%, respectively). Conclusions. EI definition based on percentages of peak HR and peak VO2 may misclassify the effective EI and the discrepancy between the individually determined and the recommended EI is particularly relevant in cardiac patients. A ventilatory threshold-based rather than a range-based approach is advisable in order to define an appropriate level of EI. Abstract Figure.


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