3D Slicer open-source software plug-in for vector-based angle calculation of canine hind limb alignment in computed tomographic images.

BACKGROUND: Severe and complex angular limb deformities in dogs require accurate morphological assessment using diagnostic imaging to achieve successful orthopedic surgery. Computed tomography (CT) is commonly used to overcome projection errors in two-dimensional angular measurements of dog hindlimb alignment. Three-dimensional volume rendering (VR) techniques permit virtual positioning and variable projection, but the final CT-image that defines the projection plane for angular measurements remains two-dimensional. OBJECTIVE: We wanted to develop a true three-dimensional open-source technique to measure the alignments of the hind limbs of dogs in CT scanners. METHODS: We developed an open-source 3D Slicer plug-in, to perform angular measurements using vector calculations in three-dimensional space. In 113 CT-scans of canine pelvic limbs, femoral torsion, femoral varus, femorotibial rotation, tibial torsion, tibial varus and tibiotalar rotation angles were calculated and compared to an already validated technique using VoXim®. RESULTS: Reference points were identified and measurements were possible in the 113 acquisitions. The greatest difference between the two techniques was 1.4° at only one tibial torsion angle. Mean values for all Bland-Altman plots did not show significant differences and were less than 0.07° for all comparisons. DISCUSSION: Based on these results we considered angular measurements of canine hind limb alignment in CT scans using the 3D Slicer extension program sufficiently accurate for clinical orthopedic and surgical purposes in veterinary medicine. CONCLUSION: With our open-source 3D Slicer extension software, we provide a free accessible tool for veterinary orthopedic surgeons and thus we hope to improve angular measurements in CT-scans of canine hind limb deformities through true three-dimensionality.

Comparison of CT-measured angles of pelvic limbs without patellar luxation of six canine breeds.

Introduction: Dogs with medial patellar luxation can be affected by pelvic limb deformities whose corrective osteotomies and associated biomechanical rebalancing might provide higher success rates than standard surgical procedures limited to the stifle joint. In bilaterally affected canine patients, comparison with the contralateral normal limb is impossible. Reference values are useful for orthopedic decision-making. Inconsistency of published reference values might depend on methodology or canine breed. We hypothesized that canine pelvic limb alignment is breed-specific. Methods: CT scans of 42 pelvic limbs of dog breeds predisposed for medial patellar luxation, with an orthotopic patellar position and stability were studied. Several angleswere measured with an open-source 3D Slicer plugin using vector calculations. The breeds were compared with a general linear model with a Bonferonni adjustment using SPSS. Results: Chihuahuas, Pomeranians, Jack Russel Terriers, Pugs, French Bulldogs, Maltese were examined. In the order of the listed breeds, the angles were as follows: 28.3°±10.7°, 20.1°±2.9°, 35.4°±6.9°, 32.8°±3.0°, 19.0°±7.1°, 26.6°±5.3° for the antetorsion, 5.3°±1.8°, 2.8°±2.8°, 8°±4.4°, 3.8 °±3.1°, 4.7°±3.3°, 2.3°±3.3° for the femoral varus, of -5.5°±6.2°, 1.1°±4.1°, -5.2°±9.5°, 6.1°±8.0°, -0.1°±5.9°, -9.2°±4.7° for the tibial torsion, 2.0°±2.9°, 2.1°±2.7°, 6.4°±6.8°, 0.0°±5.7°, 3.0°±5.8°, 8.8°±8.6° for the tibial valgus, 1.2°±10.4°, 1.8°±3.4°, -1.7°±4.9°, -1.7°±9.4°, 5.1°±8.8°, -0.2°±8.6° for the femorotibial rotation and -3.4°±2.2°, 1.1°±4.1°, -2.8°±3.4°, -5.2°±4.0°, -2.1°±4.4°, -5.4°±3.7° for the tibiotalar rotation. There were significant differences between breeds in femoral torsion, femoral varus, and tibial torsion angles, but no significant differences in tibial valgus, femorotibial, and tibiotalar rotation angles. Discussion: Our hypothesis is therefore partially correct. Our results are limited to small dogs prone to medial patellar luxation and might not be generalized. To establish robust reference values larger case numbers and more breeds should be evaluated. In conclusion, canine pelvic limb alignment reference values for small dogs with a predisposition for medial patellar luxation should be considered breed-specific.

Three-dimensional computed tomographic angular measurements of the canine tibia using a bone-centered coordinate system.

Introduction: Canine tibial alignment is determined by two-dimensional angular measurements, and tibial torsion is challenging. Aim of the study was the development and evaluation of a CT technique to measure canine tibial varus and torsion angles independent from positioning and truly three-dimensional. Materials and methods: A bone-centered 3D cartesian coordinate system was introduced into the CT-scans of canine tibiae and aligned with the anatomical planes of the bone based on osseous reference points. Tibial torsion, and varus (or valgus) angles were calculated based on geometric definition of projection planes with VoXim® medical imaging software using 3D coordinates of the reference points. To test accuracy of the tibial torsion angle measurements, CT scans of a tibial torsion model were performed in 12 different hinge rotation setups ranging from the normal anatomical situation up to +/ 90° and compared to goniometer measurements. Independency of tibial positioning on the CT scanner table was evaluated in 20 normal canine tibiae that were scanned in a position parallel to the z-axis and two additional off-angle double oblique positions having 15° and 45° deviation in direction of the x- and y-axes. Angular measurements in oblique positions were compared with the normal parallel position by subtraction. Precision was tested using clinical CT scans of 34 canine patients with a clinical diagnosis of patellar luxation. Results: Accuracy testing in the tibial torsional deformity model revealed a difference of 0.2° demonstrated by Passing-Bablok analysis and Bland-Altman-Plots. Testing for independency from tibial positioning resulted in mean differences less than 1.3°. Precision testing in clinical patients resulted in coefficients of variation for repeated measurements of 2.35% (intraobserver agreement) and 0.60% (interobserver agreement) for the tibial torsion angle, and 2.70% (intraobserver agreement) and 0.97% (interobserver agreement) for the tibial varus (or valgus) angle. Discussion: The technique is lacking determination of bone deformities in the sagittal plane, and demonstration of accuracy in severe complex bone deformities in multiple planes.In conclusion, we developed a method to measure canine tibial torsional and varus or valgus deformities, that calculates in 3D space, and we demonstrated its accuracy in a torsional deformity model, and its precision in CT data of clinical patients.

Computed tomographic angular measurements using a bone-centered three-dimensional coordinate system are accurate in a femoral torsional deformity model and precise in clinical canine patients.

Introduction: In small animal orthopedics, angular measurements in the canine femur are often applied in clinical patients with bone deformities and especially in complex and severe cases. Computed tomography (CT) has been shown to be more precise and accurate than two-dimensional radiography, and several methods are described. Measurement techniques evaluated in normal bones must prove accuracy in deformed bones in clinical settings. Objectives: The goals of our study were to evaluate the accuracy of canine femoral torsion angle measurements in a femoral torsional deformity model and to test repeatability and reproducibility of canine femoral neck inclination, torsion, and varus angle measurements in CT datasets of dogs applying a CT-based technique using a three-dimensional (3D) bone-centered coordinate system. Materials and methods: For precision testing, femoral torsion, femoral neck inclination, and femoral varus angles were measured in CT data of 68 canine hind limbs by two operators, and their results were compared. For accuracy testing, a femoral torsional deformity model was preset from 0° to +/-90° with a goniometer and scanned. Torsion angles were measured in the CT data and compared to the preset value. Results: In the femoral torsion model, the Bland-Altman plots demonstrated a mean difference of 2.11°, and the Passing-Bablok analysis demonstrated a correlation between goniometer and CT-based measurements. In the clinical CT scans, intra- and interobserver agreement resulted in coefficients of variation for repeated measurements (%) between 1.99 and 8.26 for the femoral torsion, between 0.59 and 4.47 for the femoral neck inclination, and between 1.06 and 5.15 for the femoral varus angles. Discussion: Evaluation of femoral malformations with torsional deformities is the target area of this technique. Further studies are required to assess its value in different types, degrees, and combinations of osseous deformities and to establish normal reference values and guidelines for corrective osteotomies. Conclusion: Based on the results of this study, the accuracy of the torsion angle measurements and the precision of inclination, torsion, and the varus angle measurements were considered acceptable for clinical application.

Solvent Dynamics of Aqueous Halides before and after Photoionization.

Electron transfer reactions can be strongly influenced by solvent dynamics. We study the photoionization of halides in water as a model system for such reactions. There are no internal nuclear degrees of freedom in the solute, allowing the dynamics of the solvent to be uniquely identified. We simulate the equilibrium solvent dynamics for Cl-, Br-, I-, and their respective neutral atoms in water, comparing quantum mechanical/molecular mechanical (QM/MM) and classical molecular dynamics (MD) methods. On the basis of the obtained configurations, we calculate the extended X-ray absorption fine structure (EXAFS) spectra rigorously based on the MD snapshots and compare them in detail with other theoretical and experimental results available in the literature. We find our EXAFS spectra based on QM/MM MD simulations in good agreement with their experimental counterparts for the ions. Classical MD simulations for the ions lead to EXAFS spectra that agree equally well with the experiment when it comes to the oscillatory period of the signal, even though they differ from the QM/MM radial distribution functions extracted from the MD. The amplitude is, however, considerably overestimated. This suggests that to judge the reliability of theoretical simulation methods or to elucidate fine details of the atomistic dynamics of the solvent based on EXAFS spectra, the amplitude as well as the oscillatory period need to be considered. If simulations fail qualitatively, as does the classical MD for the aqueous neutral halogen atoms, the resulting EXAFS will also be strongly affected in both oscillatory period and amplitude. The good reliability of QM/MM-based EXAFS simulations, together with clear qualitative differences in the EXAFS spectra found between halides and their atomic counterparts, suggests that a combined theory and experimental EXAFS approach is suitable for elucidating the nonequilibrium solvent dynamics in the photoionization of halides and possibly also for electron transfer reactions in more complex systems.

Introduction of a bone-centered three-dimensional coordinate system enables computed tomographic canine femoral angle measurements independent of positioning.

Introduction: Measurement of torsional deformities and varus alignment in the canine femur is clinically and surgically important but difficult. Computed tomography (CT) generates true three-dimensional (3D) information and is used to overcome the limitations of radiography. The 3D CT images can be rotated freely, but the final view for angle measurements remains a subjective variable decision, especially in severe and complex angular and torsional deformities. The aim of this study was the development of a technique to measure femoral angles in a truly three-dimensional way, independent of femoral positioning. Methods: To be able to set reference points in any image and at arbitrary positions of the CT series, the 3D coordinates of the reference points were used for mathematical calculation of the angle measurements using the 3D medical imaging Software VoXim®. Anatomical reference points were described in multiplanar reconstructions and volume rendering CT. A 3D bone-centered coordinate system was introduced and aligned with the anatomical planes of the femur. For torsion angle measurements, the transverse projection plane was mathematically defined by orthogonality to the longitudinal diaphyseal axis. For varus angle measurements, the dorsal plane was defined by a femoral retrocondylar axis. Independence positioning was tested by comparison of angle measurement results in repeated scans of 13 femur bones in different parallel and two double oblique (15/45°) positions in the gantry. Femoralvarus (or valgus), neck version (torsion), and inclination angles were measured, each in two variations. Results: Resulting mean differences ranged between -0.9° and 1.3° for all six determined types of angles and in a difference of <1° for 17 out of 18 comparisons by subtraction of the mean angles between different positions, with one outlier of 1.3°. Intra- and inter-observer agreements determined by repeated measurements resulted in coefficients of variation for repeated measurements between 0.2 and 13.5%. Discussion: The introduction of a bone-centered 3D coordinate system and mathematical definition of projection planes enabled 3D CT measurements of canine femoral varus and neck version and inclination angles. Agreement between angular measurements results of bones scanned in different positions on the CT table demonstrated that the technique is independent of femoral positioning.

Influence of Electronic Structure Modeling and Junction Structure on First-Principles Chiral Induced Spin Selectivity.

We have carried out a comprehensive study of the influence of electronic structure modeling and junction structure description on the first-principles calculation of the spin polarization in molecular junctions caused by the chiral induced spin selectivity (CISS) effect. We explore the limits and the sensitivity to modeling decisions of a Landauer/Green's function/two-component density functional theory approach to CISS. We find that although the CISS effect is entirely attributed in the literature to molecular spin filtering, spin-orbit coupling being partially inherited from the metal electrodes plays an important role in our calculations on ideal carbon helices, even though this effect cannot explain the experimental conductance results. Its magnitude depends considerably on the shape, size, and material of the metal clusters modeling the electrodes. Also, a pronounced dependence on the specific description of exchange interaction and spin-orbit coupling is manifest in our approach. This is important because the interplay between exchange effects and spin-orbit coupling may play an important role in the description of the junction magnetic response. Our calculations are relevant for the whole field of spin-polarized electron transport and electron transfer, because there is still an open discussion in the literature about the detailed underlying mechanism and the magnitude of physical parameters that need to be included to achieve a consistent description of the CISS effect: seemingly good quantitative agreement between simulation and the experiment can be caused by error compensation, because spin polarization as contained in a Landauer/Green's function/two-component density functional theory approach depends strongly on computational and structural parameters.

Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission.

The chiral-induced spin selectivity (CISS) effect, which describes the spin-filtering ability of diamagnetic structures like DNA or peptides having chiral symmetry, has emerged in the past years as the central mechanism behind a number of important phenomena, like long-range biological electron transfer, enantiospecific electrocatalysis, and molecular recognition. Also, CISS-induced spin polarization has a considerable promise for new spintronic devices and the design of quantum materials. The CISS effect is attributed to spin-orbit coupling, but a sound theoretical understanding of the surprising magnitude of this effect in molecules without heavy atoms is currently lacking. We are taking an essential step into this direction by analyzing the importance of imaginary terms in the Hamiltonian as a necessary condition for nonvanishing spin polarization in helical structures. On the basis of first-principles calculations and analytical considerations, we perform a symmetry analysis of the key quantities determining transport probabilities of electrons of different spin orientations. These imaginary terms originate from the spin-orbit coupling, and they preserve the Hermitian nature of the Hamiltonian. Hence, they are not related to the breaking of time-reversal symmetry resulting from the fact that molecules are open systems in a junction. Our symmetry analysis helps to identify essential constraints in the theoretical description of the CISS effect. We further draw an analogy with the appearance of imaginary terms in simple models of barrier scattering, which may help understanding the unusually effective long-range electron transfer in biological systems.

Towards colloidal spintronics through Rashba spin-orbit interaction in lead sulphide nanosheets.

Employing the spin degree of freedom of charge carriers offers the possibility to extend the functionality of conventional electronic devices, while colloidal chemistry can be used to synthesize inexpensive and tunable nanomaterials. Here, in order to benefit from both concepts, we investigate Rashba spin-orbit interaction in colloidal lead sulphide nanosheets by electrical measurements on the circular photo-galvanic effect. Lead sulphide nanosheets possess rock salt crystal structure, which is centrosymmetric. The symmetry can be broken by quantum confinement, asymmetric vertical interfaces and a gate electric field leading to Rashba-type band splitting in momentum space at the M points, which results in an unconventional selection mechanism for the excitation of the carriers. The effect, which is supported by simulations of the band structure using density functional theory, can be tuned by the gate electric field and by the thickness of the sheets. Spin-related electrical transport phenomena in colloidal materials open a promising pathway towards future inexpensive spintronic devices.

[Diagnostic approach and management of hypercalcaemia in dogs exemplary of primary hyperparathyroidism]. / Diagnostische Aufarbeitung und Management der Hyperkalzämie des Hundes am Beispiel des primären Hyperparathyreoidismus.

Hypercalcaemia can be caused by many different diseases. This article summarizes the causes, pathophysiologic mechanisms and diagnostic procedures as well as treatment recommendations. The main focus is on hypercalcaemia in primary hyperparathyroidism (PH), complemented by a case report. An elevated total calcium level should generally be investigated and verified by measurement of ionized calcium concentration. The further diagnostic approach depends on the phosphate level. Tumour screening, measurement of parathormone and parathromone-related protein and sonography of parathyroid glands may be necessary. If the calcium-phosphate-product exceeds 60 mg/dl, there is a risk of tissue mineralisation and a rapid treatment of hypercalcaemia is required. For acute therapy, sodium chloride infusion, furosemide and glucocorticoids can be used. Glucocorticoids should only be given after strict indication and after a definite diagnosis. For long-term management, bisphosphates, particularly alendronate, are increasingly used successfully. Causal therapy of PH can be performed by parathyreoidectomy, heat ablation or ethanol ablation. Thereafter, particularly in cases of severe preoperative hypercalcaemia, hypocalcaemia can occur. Treatment is performed using vitamin D3 (calcitriol), which may also be given preoperatively in cases of severe hypercalcaemia. A concomitant oral calcium supplementation using calcium carbonate as medication of choice is contentious. Due to a potential relapse after successful excision of the affected parathyroid gland in PH, the serum calcium level should be monitored periodically.

Large Magnetoresistance in Single-Radical Molecular Junctions.

Organic radicals are promising building blocks for molecular spintronics. Little is known about the role of unpaired electrons for electron transport at the single-molecule level. Here, we examine the impact of magnetic fields on electron transport in single oligo(p-phenyleneethynylene) (OPE)-based radical molecular junctions, which are formed with a mechanically controllable break-junction technique at a low temperature of 4.2 K. Surprisingly huge positive magnetoresistances (MRs) of 16 to 287% are visible for a magnetic field of 4 T, and the values are at least 1 order of magnitude larger than those of the analogous pristine OPE (2-4%). Rigorous analysis of the MR and of current-voltage and inelastic electron-tunneling spectroscopy measurements reveal an effective reduction of the electronic coupling between the current-carrying molecular orbital and the electrodes with increasing magnetic field. We suggest that the large MR for the single-radical molecular junctions might be ascribed to a loss of phase coherence of the charge carriers induced by the magnetic field. Although further investigations are required to reveal the mechanism underlying the strong MR, our findings provide a potential approach for tuning charge transport in metal-molecule junctions with organic radicals.