Calibrating lighting simulation with panoramic high dynamic range imaging

Fast and accurate field measurement with high resolution considering the light reaching human eyes can help calibrate and validate lighting simulation. This study established a workflow of lighting simulation calibration aided by the recently developed panoramic high dynamic range imaging (HDRI) with a 360° field of view (FOV) and conducted a case study. The panoramic maps of illuminance and coefficient of variation of luminance (CVL) can be retrieved by the HDR images to compare the directional light reaching preset viewpoints within occupants’ visual range. The case study showed a high correlation (rCVL ≥ 0.900, rE ≥ 0.990) of the spatial luminous distribution between the simulation and built reality. Close to 90% of the simulated illuminance data had an error rate within 20%(|e|≤20%), revealed by the 360° residual maps of illuminance. The proposed lighting calibration approach with panoramic HDR Imaging was validated to improve lighting simulation accuracy.</p

Design, Synthesis, and Insecticidal Activity of Novel Isoxazoline Compounds That Contain <i>Meta</i>-diamides against Fall Armyworm (Spodoptera frugiperda)

Fall armyworm (Spodoptera frugiperda) is a major migratory pest around the entire world that causes severe damage to agriculture. We designed and synthesized a series of novel isoxazoline derivatives based on the previously discovered active compound H13 to find new and effective candidates against S. frugiperda. Most of them showed excellent insecticidal activity. In addition, a three-dimensional quantitative structure–activity relationship model was established, and compound F32 was designed and synthesized based on the results. The bioassay result showed that compound F32 exhibited excellent activity against S. frugiperda (LC50 = 3.46 mg/L), which was substantially better than that of the positive control fipronil (LC50 = 78.8 mg/L). Furthermore, an insect γ-aminobutyric acid (GABA) enzyme-linked immunosorbent assay indicated that F32 can upregulate the content of GABA in insects in a manner similar to that of fipronil. Molecular docking showed that the hydrophobic effect and hydrogen-bond interactions are vital factors between the binding of F32 and receptors. All of these results suggest that compound F32 could be employed as a novel isoxazoline lead compound to control S. frugiperda

Coupling NiSe₂ Nanoparticles with N‑Doped Porous Carbon Enables Efficient and Durable Electrocatalytic Hydrogen Evolution Reaction at pH Values Ranging from 0 to 14

Integrating metal-based species with a carbon matrix is a promising approach for fabricating inexpensive, durable, and efficient electrocatalysts. Herein, NiSe2-decorated and N-doped carbon polyhedra (NC) are prepared as electrocatalysts for hydrogen evolution reaction (HER) by a template-assisted approach. The optimal NC-NiSe2 delivers extraordinary catalytic activities toward HER in a wide pH range, with overpotentials of 127 mV in 0.5 M H2SO4, 226 mV in 1 M PBS, and 205 mV in 1 M KOH to drive a current density of 10 mA cm–2. In addition, this catalyst undergoes fast reaction kinetics via a Volmer–Heyrovsky mechanism and exhibits excelent long-term catalytic durability for 48 h in the full pH media. During electrocatalysis, when electrons pass through the NC matrix to the surface of NiSe2 particles, water molecules at the active sites of NiSe2 are reduced, and then hydrogen is released. The excellent catalytic activity and durability mainly benefit from the hierarchically porous architecture as well as the synergistic interaction of NiSe2 nanoparticles and NC matrix, which not only significantly boost the electronic conductivity and generate plentiful active sites but also guarantee the chemical and structural stabilities of NiSe2 catalytic species. This work unravels deep insights into the exploration of carbon-supported metal chalcogenides as highly efficient HER electrocatalysts at full-pH values

Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids

Homoeriodictyol and hesperetin are naturally occurring O-methylated flavonoids with many health-promoting properties. They are produced in plants in low abundance and as complex mixtures of similar compounds that are difficult to separate. Synthetic biology offers the opportunity to produce various flavonoids in a targeted, bottom-up approach in engineered microbes with high product titers. However, the production of O-methylated flavonoids is currently still highly inefficient. In this study, we investigated and engineered a combination of enzymes that had previously been shown to support homoeriodictyol and hesperetin production in Escherichia coli from fed O-methylated hydroxycinnamic acids. We determined the crystal structures of the enzyme catalyzing the first committed step of the pathway, chalcone synthase from Hordeum vulgare, in three ligand-bound states. Based on these structures and a multiple sequence alignment with other chalcone synthases, we constructed mutant variants and assessed their performance in E. coli toward producing methylated flavonoids. With our best mutant variant, HvCHS (Q232P, D234 V), we were able to produce homoeriodictyol and hesperetin at 2 times and 10 times higher titers than reported previously. Our findings will facilitate further engineering of this enzyme toward higher production of methylated flavonoids

First Discovery of Imidazo[1,2‑<i>a</i>]pyridine Mesoionic Compounds Incorporating a Sulfonamide Moiety as Antiviral Agents

The applications of mesoionic compounds and their analogues as agents against plant viruses remain unexplored. This was the first evaluation of the antiviral activities of mesoionic compounds on this issue. Our study involved the design and synthesis of a series of novel imidazo­[1,2-a]­pyridine mesoionic compounds containing a sulfonamide moiety and the assessment of their antiviral activities against potato virus Y (PVY). Compound A33 was assessed on the basis of three-dimensional quantitative structure–activity relationship (3D-QSAR) model analysis and displayed good curative, protective, and inactivating activity effects against PVY at 500 mg/L, up to 51.0, 62.0, and 82.1%, respectively, which were higher than those of commercial ningnanmycin (NNM, at 47.2, 50.1, and 81.4%). Significantly, defensive enzyme activities and proteomics results showed that compound A33 could enhance the defense response by activating the activity of defense enzymes, inducing the glycolysis/gluconeogenesis pathway of tobacco to resist PVY infection. Therefore, our study indicates that compound A33 could be applied as a potential viral inhibitor

Polypyrrole Template-Assisted Synthesis of Tubular Fe-NC Nanostructure-Based Electrocatalysts for Efficient Oxygen Reduction Reaction in Rechargeable Zinc–Air Battery

One-dimensional metal/N-doped carbons have exhibited promise for use as efficient catalysts of the oxygen reduction reaction (ORR). In this work, Fe,N-doped carbon nanotubes (Fe-NC@NCNT) are developed by pyrolyzing the precursor/template of a polypyrrole (PPy) nanotube-anchored Fe/Zn-based zeolite imidazole framework. Thanks to the hierarchical tubular nanostructure, high electronic conductivity, and abundant Fe-based species (Fe-Nx sites and Fe/Fe3C nanoparticles), the designed electrocatalyst exhibits a catalytic property comparable to that of commercial Pt/C. Specifically, the Fe-NC@NCNT catalyst undergoes a four-electron ORR pathway with an onset potential of 0.96 V and a half-wave potential of 0.88 V versus reversible hydrogen electrode, a small Tafel slope of 60.0 mV dec–1, remarkable long-term cycle durability, as well as strong alcohol tolerance in an alkaline electrolyte. When applied to the air-electrode catalyst of rechargeable zinc–air batteries, the Fe-NC@NCNT-catalyzed liquid-state battery delivers an open-circuit voltage of 1.44 V and a maximum power density of 115 mW cm–2 with a specific capacity of 814 mAh g–1, outperforming those of the battery assembled with commercial Pt/C + RuO2. In addition, the as-assembled solid-state battery displays a desirable rechargeability and electrochemical flexibility. The present study establishes a facile dual-template approach to fabricate highly efficient and inexpensive ORR electrocatalysts toward the application of metal–air batteries

Discovery of Mesoionic Derivatives Containing a Dithioacetal Skeleton as Novel Potential Antibacterial Agents and Mechanism Research

In this study, the design and synthesis of novel pyrido­[1,2-a]­pyrimidinone mesoionic derivatives incorporating dithioacetal structures were carried out. The three-dimensional quantitative structure–activity relationship (3D-QSAR) model was built according to the EC50 values and directed the synthesis of compound A32. The biological activity test against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas oryzae pv. oryzicola (Xoc) indicated that compound A32 showed good antibacterial activity with EC50 values of 10.9 and 17.5 mg/L, which were lower than the EC50 values of bismerthiazol (29.3 and 39.8 mg/L) and thiodiazole copper (64.8 and 78.1 mg/L). Furthermore, the in vivo antibacterial activity against bacterial leaf blight (BLB) and bacterial leaf streak (BLS) revealed that the protective activity of compound A32 was 43.9 and 41.7%, respectively, which was better than the protective activity of thiodiazole copper (40.6 and 35.0%). In addition, the protective activity against bacterial leaf blight of compound A32 was associated with the increasing rice defensive enzyme activity and the upregulation of proteins involved in oxidative phosphorylation. Moreover, compound A32 could upregulate the expression of complex I (nicotinamide adenine dinucleotide hydrogen (NADH) dehydrogenase) in the oxidative phosphorylation pathway, which was verified by complex I activity evaluation

Discovery of Mesoionic Derivatives Containing a Dithioacetal Skeleton as Novel Potential Antibacterial Agents and Mechanism Research

In this study, the design and synthesis of novel pyrido­[1,2-a]­pyrimidinone mesoionic derivatives incorporating dithioacetal structures were carried out. The three-dimensional quantitative structure–activity relationship (3D-QSAR) model was built according to the EC50 values and directed the synthesis of compound A32. The biological activity test against Xanthomonas oryzae pv. oryzae (Xoo) and Xanthomonas oryzae pv. oryzicola (Xoc) indicated that compound A32 showed good antibacterial activity with EC50 values of 10.9 and 17.5 mg/L, which were lower than the EC50 values of bismerthiazol (29.3 and 39.8 mg/L) and thiodiazole copper (64.8 and 78.1 mg/L). Furthermore, the in vivo antibacterial activity against bacterial leaf blight (BLB) and bacterial leaf streak (BLS) revealed that the protective activity of compound A32 was 43.9 and 41.7%, respectively, which was better than the protective activity of thiodiazole copper (40.6 and 35.0%). In addition, the protective activity against bacterial leaf blight of compound A32 was associated with the increasing rice defensive enzyme activity and the upregulation of proteins involved in oxidative phosphorylation. Moreover, compound A32 could upregulate the expression of complex I (nicotinamide adenine dinucleotide hydrogen (NADH) dehydrogenase) in the oxidative phosphorylation pathway, which was verified by complex I activity evaluation

Discovery of Novel Isoxazoline Derivatives Containing Diaryl Ether against Fall Armyworms

With the continuous evolution of insect resistance, it is a tremendous challenge to control the fall armyworm (Spodoptera frugiperda) with traditional insecticides. To solve this pending issue, a series of novel isoxazoline derivatives containing diaryl ether structures were designed and synthesized, and most of the target compounds exhibited excellent insecticidal activity. Based on the three-dimensional quantitative structure–activity relationship (3D-QSAR) model analysis, we further optimized the molecular structure with compound L35 obtained and tested for its activity. Compound L35 (LC50 = 1.69 mg/L) exhibited excellent insecticidal activity against S. frugiperda, which was better than those of commercial fipronil (LC50 = 70.78 mg/L) and indoxacarb (LC50 = 5.37 mg/L). The enzyme-linked immunosorbent assay showed that L35 could upregulate the levels of GABA in insects. In addition, molecular docking and transcriptomic results also indicated that compound L35 may affect the nervous system of S. frugiperda by acting on GABA receptors. Notably, through high-performance liquid chromatography (HPLC), we were able to obtain the two enantiomers of compound L35, and the insecticidal activity test revealed that S-(+)-L35 was 44 times more active than R-(−)-L35 against S. frugiperda. This study established the chemistry basis and mechanistic foundations for the future development of pesticide candidates against fall armyworms.</i

Discovery of Novel Isoxazoline Derivatives Containing Diaryl Ether against Fall Armyworms

With the continuous evolution of insect resistance, it is a tremendous challenge to control the fall armyworm (Spodoptera frugiperda) with traditional insecticides. To solve this pending issue, a series of novel isoxazoline derivatives containing diaryl ether structures were designed and synthesized, and most of the target compounds exhibited excellent insecticidal activity. Based on the three-dimensional quantitative structure–activity relationship (3D-QSAR) model analysis, we further optimized the molecular structure with compound L35 obtained and tested for its activity. Compound L35 (LC50 = 1.69 mg/L) exhibited excellent insecticidal activity against S. frugiperda, which was better than those of commercial fipronil (LC50 = 70.78 mg/L) and indoxacarb (LC50 = 5.37 mg/L). The enzyme-linked immunosorbent assay showed that L35 could upregulate the levels of GABA in insects. In addition, molecular docking and transcriptomic results also indicated that compound L35 may affect the nervous system of S. frugiperda by acting on GABA receptors. Notably, through high-performance liquid chromatography (HPLC), we were able to obtain the two enantiomers of compound L35, and the insecticidal activity test revealed that S-(+)-L35 was 44 times more active than R-(−)-L35 against S. frugiperda. This study established the chemistry basis and mechanistic foundations for the future development of pesticide candidates against fall armyworms.</i