New Light on an Old Story: Breaking Kasha’s Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design

In this work, the phosphorescence mechanism of (E)-3-(((4-nitrophenyl)imino)methyl)-2H-thiochroman-4-olate-BF2 compound (S-BF2) is investigated theoretically. The phosphorescence of S-BF2 has been reassigned to the second triplet state (T2) by the density matrix renormalization group (DMRG) method combined with the multi-configurational pair density functional theory (MCPDFT) to approach the limit of theoretical accuracy. The calculated radiative and non-radiative rate constants support the breakdown of Kasha’s rule further. Our conclusion contradicts previous reports that phosphorescence comes from the first triplet state (T1). Based on the revised phosphorescence mechanism, we have purposefully designed some novel compounds in theory to enhance the phosphorescence efficiency from T2 by replacing substitute groups in S-BF2. Overall, both S-BF2 and newly designed high-efficiency molecules exhibit anti-Kasha T2 phosphorescence instead of the conventional T1 emission. This work provides a useful guidance for future design of high-efficiency green-emitting phosphors.

Analysis of orthogonal signal of dual-mass micro-machined gyroscope

The dual-mass Silicon micro-machined gyroscope was processed by micro-fabrication technology. It could lead to quadrature coupling error and influence the output of the silicon micro-gyroscope. We select two commonly used gyroscope structures and analyze their quadrature coupling coefficient. Firstly, the complete dynamic model is proposed for the DMSG and the theoretical models of sensitivity and orthogonal signals are given by the dynamic model. Second, the influence of support structure on sensitivity and orthogonal signals are analyzed. The sensitivity and orthogonal signal of the two types of DMSG are derived and compared. The results show that the theoretical accuracy of the sensitivity and orthogonal signals can be improved about 50% and 30% after considering the support structure. The type-B gyroscope are insensitive to the Coriolis force (≈13% reduction) when compared to Type-A gyroscope. On the other hand the type-B gyroscope are insensitive to coupling stiffness (≈85% reduction) when compared to Type-A gyroscope. At last, the reliability of the theory is verified by simulations and experiments.

A neuronal prospect theory model in the brain reward circuitry

Prospect theory, arguably the most prominent theory of choice, is an obvious candidate for neural valuation models. How the activity of individual neurons, a possible computational unit, reflects prospect theory remains unknown. Here, we show with theoretical accuracy equivalent to that of human neuroimaging studies that single-neuron activity in four core reward-related cortical and subcortical regions represents the subjective valuation of risky gambles in monkeys. The activity of individual neurons in monkeys passively viewing a lottery reflects the desirability of probabilistic rewards, parameterized as a multiplicative combination of a utility and probability weighting functions in the prospect theory framework. The diverse patterns of valuation signals were not localized but distributed throughout most parts of the reward circuitry. A network model aggregating these signals reliably reconstructed risk preferences and subjective probability perceptions revealed by the animals' choices. Thus, distributed neural coding explains the computation of subjective valuations under risk.

43 Single and Multiple-breed Genomic Predictions for Conformation Traits of Canadian Dairy Goats

The use of multiple-breed models can increase the accuracy of estimated breeding values (EBV) when few phenotypes are available for a trait. However, pooling breeds is not always beneficial for genomic evaluations due to the low consistency of gametic phase between individual breeds. The objective of this study was to compare the expected gain in accuracy of single-step genomic breeding values (GEBV) for conformation traits of Canadian Alpine and Saanen goats predicted using single and multiple-breed models. The traits considered were body capacity, dairy character, feet and legs, fore udder, general appearance, rear udder, suspensory ligament, and teats, all recorded by trained classifiers, using a 1 to 9 scale. The full datasets included a total of 7,500 phenotypes for each trait (5,158 Alpine and 2,342 Saanen) and 1,707 50K genotypes (833 Alpine, 874 Saanen). Standard errors of prediction (SEP) were obtained for EBV and GEBV predicted using single-trait animal models on full or validation datasets. Breed difference was accounted for as a fixed effect in the multiple-breed models. Average theoretical accuracies were calculated from the SEP. For Saanen, with fewer records, expected accuracies of EBV and GEBV for the validation animals (selection candidates) were consistently higher for the multiple-breed models. Trait specific gains in theoretical accuracy of GEBV relative to EBV for the selection candidates ranged from 30 to 48% for Alpine and 41 to 61% for Saanen. Averaged across all traits, GEBV predicted from the full dataset were 32 to 38% more accurate than EBV for genotyped animals and the largest gains were found for does without conformation records (49 to 55%) and bucks without daughter records (56 to 82%). Overall, the implementation of genomic selection would substantially increase selection accuracy for young breeding candidates and, consequently, the rate of genetic improvement for conformation traits in Canadian dairy goats.

Finite element methods for the Darcy-Forchheimer problem coupled with the convection-diffusion-reaction problem

In this article, we consider the convection-diffusion-reaction problem coupled the Darcy-Forchheimer problem by a non-linear external force depending on the concentration. We establish existence of a solution by using a Galerkin method and we prove uniqueness. We introduce and analyse a numerical scheme based on the finite element method. An optimal a priori error estimate is then derived for each numerical scheme. Numerical investigation are performed to confirm the theoretical accuracy of the discretization.

Retrieval of aerosol properties using relative radiance measurements from an all-sky camera

This paper explores the potential of all-sky cameras to retrieve aerosol properties with GRASP code (Generalized Retrieval of Atmosphere and Surface Properties). To this end, normalized sky radiances (NSR) extracted from an all-sky camera at three effective wavelengths (467, 536 and 605 nm) are used in this study. NSR observations are a set of relative (uncalibrated) sky radiances in arbitrary units. NSR observations have been simulated for different aerosol loads and types with the forward radiative transfer module of GRASP, indicating that NSR observations contain information about the aerosol type as well as about the aerosol optical depth (AOD), at least for low and moderate aerosol loads. An additional sensitivity study with synthetic data has been carried out to quantify the theoretical accuracy and precision on the aerosol properties (AOD, size distribution parameters, etc.) retrieved by GRASP using NSR observations as input. As result, the theoretical accuracy on AOD is within ±0.02 for AOD values lower or equal than 0.4; while the theoretical precision goes from 0.01 to 0.05 when AOD at 467 nm varies from 0.1 to 0.5. NSR measurements recorded at Valladolid (Spain) with an all-sky camera for more than two years have been inverted with GRASP. The retrieved aerosol properties are compared with independent values provided by co-located AERONET (AErosol RObotic NETwork) measurements. AOD from both data sets correlate with determination coefficient (r2) values about 0.87. Finally, the novel multi-pixel approach of GRASP is applied to daily camera radiances together, by constraining the temporal variation in certain aerosol properties. This temporal linkage (multi-pixel approach) provides promising results, reducing the highly temporal variation in some aerosol properties retrieved with the standard (one by one or single-pixel) approach. This work implies an advance in the use of all-sky cameras for the retrieval of aerosol properties.

Stress wave propagation in different number of fissured rock mass based on nonlinear analysis

The fissures are ubiquitous in deep rock masses, and they are prone to instability and failure under dynamic loads. In order to study the propagation attenuation of dynamic stress waves in rock mass with different number of fractures under confining pressure, nonlinear theoretical analysis, indoor model test and numerical simulation are used respectively. The theoretical derivation is based on displacement discontinuity method and nonlinear fissure mechanics model named BB model. Using ABAQUS software to establish a numerical model to verify theoretical accuracy, and indoor model tests were carried out too. The research shows that the stress attenuation coefficient decreases with the increase of the number of fissures. The numerical simulation results and experimental results are basically consistent with the theoretical values, which verifies the rationality of the propagation equation.

A Cloud Top-Height Retrieval Algorithm Using Simultaneous Observations from the Himawari-8 and FY-2E Satellites

In this paper, we introduce a cloud top-height (CTH) retrieval algorithm using simultaneous observations from the Himawari-8 and FengYun (FY)-2E geostationary (GEO) satellites (hereafter, dual-GEO CTH algorithm). The dual-GEO CTH algorithm estimates CTH based on the parallax, which is the difference in the apparent position of clouds observed from two GEO satellites simultaneously. The dual-GEO CTH algorithm consists of four major procedures: (1) image remapping, (2) image matching, (3) CTH calculation, and (4) quality control. The retrieved CTHs were compared with other satellite CTHs from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) and the Cloud-Profiling Radar (CPR), on three occasions. Considering the geometric configuration and footprint sizes of the two GEO satellites, the theoretical accuracy of the dual-GEO CTH algorithm is estimated as ±0.93 km. The comparisons show that the retrieval accuracy generally tends to fall within the theoretical accuracy range. As the dual-GEO CTH algorithm is based on parallax, it could be easily applied for the estimation of the height of any elevated feature in various fields.

HKA Angle—A Reliable Planning Parameter for High Tibial Osteotomy: A Theoretical Analysis Using Standing Whole-Leg Radiographs

High tibial osteotomy (HTO) is a recognized treatment for early-stage medial compartment knee osteoarthritis. Preoperative planning with standing whole-leg radiographs (WLRs) is essential for ensuring optimal postoperative alignment. The primary purpose of this study is to investigate the theoretical accuracy of the wedge opening required for two different preoperative planning parameters in open-wedge HTO. The second purpose is to theoretically determine which parameter is superior. Preoperative planning for HTO was performed with standing WLRs for 39 knees with isolated medial osteoarthritis. The Miniaci preoperative planning method was applied to correct the hip-knee-ankle (HKA) angle to 3to 6 degrees of valgus and the weight-bearing line (WBL) percentage within 60 to 70% of the width of the tibial plateau. To ensure that the HKA angle was between 3 and 6 degrees of valgus, the required accuracy window for the Miniaci angle was 3.25 ± 0.03 degrees (range, 3.20–3.30°). To ensure that the WBL percentage was between 60 and 70%, the accuracy window required for the Miniaci angle was 2.35 ± 0.13 degrees (range, 2.10–2.65°). This study suggests that to correct the HKA angle and the WBL percentage within the target range on two-dimensional WLRs, the Miniaci angle must be controlled to an accuracy of ± 1.63 and ± 1.18 degrees, respectively. Theoretically, the HKA angle is highly suitable as a preoperative planning parameter for HTO with a large permissible error and a small variability in the degree of change in the Miniaci angle (ΔMiniaci).

On a class of splines free of Gibbs phenomenon

When interpolating data with certain regularity, spline functions are useful. They are defined as piecewise polynomials that satisfy certain regularity conditions at the joints. In the literature about splines it is possible to find several references that study the apparition of Gibbs phenomenon close to jump discontinuities in the results obtained by spline interpolation. This work is devoted to the construction and analysis of a new nonlinear technique that allows to improve the accuracy of splines near jump discontinuities eliminating the Gibbs phenomenon. The adaption is easily attained through a nonlinear modification of the right hand side of the system of equations of the spline, that contains divided differences. The modification is based on the use of a new limiter specifically designed to attain adaption close to jumps in the function. The new limiter can be seen as a nonlinear weighted mean that has better adaption properties than the linear weighted mean. We will prove that the nonlinear modification introduced in the spline keeps the maximum theoretical accuracy in all the domain except at the intervals that contain a jump discontinuity, where Gibbs oscillations are eliminated. Diffusion is introduced, but this is fine if the discontinuity appears due to a discretization of a high gradient with not enough accuracy. The new technique is introduced for cubic splines, but the theory presented allows to generalize the results very easily to splines of any order. The experiments presented satisfy the theoretical aspects analyzed in the paper.