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There has been a long-term endeavor in the light-scattering research community to develop a Lorenz-Mie theory-type method for simulating light scattering by spheroidal particles with small-to-large sizes. A spheroid is a very important nonspherical shape in modeling the optical properties of many natural particles. For the first time, we develop a computationally feasible separation of variables method (SVM) in spheroidal coordinates to compute optical properties of spheroids with small-to-large sizes compared to the wavelength of the incident light (λ). The method is applicable to spheroids with size parameters (2π/λtimes the major semiaxis) up to at least 600, and is not restricted by particle aspect ratios. Therefore, the work reported here represents a breakthrough in solving the optical properties of a nonspherical particle in an analytical form.

 

Accurate distance determination to astrophysical objects is essential for the understanding of their intrinsic brightness and size. The distance to SN 1987A has been previously measured by the expanding photosphere method and by using the angular size of the circumstellar rings with absolute sizes derived from light curves of narrow UV emission lines, with reported distances ranging from 46.77 to 55 kpc. In this study, we independently determined the distance to SN 1987A using photometry and imaging polarimetry observations of AT 2019xis, a light echo of SN 1987A, by adopting a radiative transfer model of the light echo developed in Ding et al. We obtained distances to SN 1987A in the range from 49.09 ± 2.16 kpc to 59.39 ± 3.27 kpc, depending on the interstellar polarization and extinction corrections, which are consistent with the literature values. This study demonstrates the potential of using light echoes as a tool for distance determination to astrophysical objects in the Milky Way, up to kiloparsec level scales.

 

Autophagy, as an intracellular degradation system, plays a critical role in plant immunity. However, the involvement of autophagy in the plant immune system and its function in plant nematode resistance are largely unknown. Here, we show that root-knot nematode (RKN;Meloidogyne incognita) infection induces autophagy in tomato (Solanum lycopersicum) and differentatgmutants exhibit high sensitivity to RKNs. The jasmonate (JA) signaling negative regulators JASMONATE-ASSOCIATED MYC2-LIKE 1 (JAM1), JAM2 and JAM3 interact with ATG8s via an ATG8-interacting motif (AIM), and JAM1 is degraded by autophagy during RKN infection. JAM1 impairs the formation of a transcriptional activation complex between ETHYLENE RESPONSE FACTOR 1 (ERF1) and MEDIATOR 25 (MED25) and interferes with transcriptional regulation of JA-mediated defense-related genes by ERF1. Furthermore, ERF1 acts in a positive feedback loop and regulates autophagy activity by transcriptionally activatingATGexpression in response to RKN infection. Therefore, autophagy promotes JA-mediated defense against RKNs via forming a positive feedback circuit in the degradation of JAMs and transcriptional activation by ERF1.

 

Pesticides benefit agriculture by increasing crop yield, quality, and security. However, pesticides may inadvertently harm bees, which are valuable as pollinators. Thus, candidate pesticides in development pipelines must be assessed for toxicity to bees. Leveraging a dataset of 382 molecules with toxicity labels from honey bee exposure experiments, we train a support vector machine (SVM) to predict the toxicity of pesticides to honey bees. We compare two representations of the pesticide molecules: (i) a random walk feature vector listing counts of length- L walks on the molecular graph with each vertex- and edge-label sequence and (ii) the Molecular ACCess System (MACCS) structural key fingerprint (FP), a bit vector indicating the presence/absence of a list of pre-defined subgraph patterns in the molecular graph. We explicitly construct the MACCS FPs but rely on the fixed-length- L random walk graph kernel (RWGK) in place of the dot product for the random walk representation. The L-RWGK-SVM achieves an accuracy, precision, recall, and F1 score (mean over 2000 runs) of 0.81, 0.68, 0.71, and 0.69, respectively, on the test data set—with L = 4 being the mode optimal walk length. The MACCS-FP-SVM performs on par/marginally better than the L-RWGK-SVM, lends more interpretability, but varies more in performance. We interpret the MACCS-FP-SVM by illuminating which subgraph patterns in the molecules tend to strongly push them toward the toxic/non-toxic side of the separating hyperplane. 

Both the computational costs and the accuracy of the invariant-imbedding T-matrix method escalate with increasing the truncation number N at which the expansions of the electromagnetic fields in terms of vector spherical harmonics are truncated. Thus, it becomes important in calculation of the single-scattering optical properties to choose N just large enough to satisfy an appropriate convergence criterion; this N we call the optimal truncation number. We present a new convergence criterion that is based on the scattering phase function rather than on the scattering cross section. For a selection of homogeneous particles that have been used in previous single-scattering studies, we consider how the optimal N may be related to the size parameter, the index of refraction, and particle shape. We investigate a functional form for this relation that generalizes previous formulae involving only size parameter, a form that shows some success in summarizing our computational results. Our results indicate clearly the sensitivity of optimal truncation number to the index of refraction, as well as the difficulty of cleanly separating this dependence from the dependence on particle shape. 

The molecular tetravalent oxidation state for praseodymium is observed in solution via oxidation of the anionic trivalent precursor [K][Pr 3+ (NP(1,2-bis- t Bu-diamidoethane)(NEt 2 )) 4 ] (1-Pr(NP*)) with AgI at −35 °C. The Pr 4+ complex is characterized in solution via cyclic voltammetry, UV-vis-NIR electronic absorption spectroscopy, and EPR spectroscopy. Electrochemical analyses of [K][Ln 3+ (NP(1,2-bis- t Bu-diamidoethane)(NEt 2 )) 4 ] (Ln = Nd and Dy) by cyclic voltammetry are reported and, in conjunction with theoretical modeling of electronic structure and oxidation potential, are indicative of principal ligand oxidations in contrast to the metal-centered oxidation observed for 1-Pr(NP*). The identification of a tetravalent praseodymium complex in in situ UV-vis and EPR experiments is further validated by theoretical modeling of the redox chemistry and the UV-vis spectrum. The latter study was performed by extended multistate pair-density functional theory (XMS-PDFT) and implicates a multiconfigurational ground state for the tetravalent praseodymium complex.