Trading Community Analysis of Countries' Roll-On/Roll-Off Shipping Networks Using Fine-Grained Vessel Trajectory Data.

Roll-on/roll-off vessels (RO/RO vessels) are playing an increasingly critical role in international automobile transport, facilitating the efficient movement of vehicles and heavy machinery across continents. Despite this growing significance, there is still limited research specifically focused on the RO/RO shipping network and its impact on global trade. This paper studies the global RO/RO shipping network using AIS data on RO/RO vessels collected from 2020 to 2023.

Target-Based Design, Synthesis, and Biological Evaluation of Novel 1,2,4-Triazolone Derivatives as Potential nAChR Modulators.

Novel agrochemicals have been successfully developed using target-based drug design (TBDD). To discover a novel, efficient, and highly selective nicotinic insecticide candidate, we developed a unified pharmacological model using TBDD by studying the binding modes of 11 nicotinic acetylcholine receptor (nAChR) modulators with acetylcholine binding protein (AChBP) targets for the first time. This model was used to design and develop a series of 1,2,4-triazolone derivatives.

Design, Synthesis, and Biological Activity of Novel Benzo[][1,3]dioxole-6-benzamide Derivatives: Multichitinase Inhibitors as Potential Insect Growth Regulator Candidates.

Insect growth regulators (IGRs) disrupt normal development of physiological processes in insects and are recognized as green insecticides. Insect chitinases play a crucial role in cuticle degradation during molting, and ChtI, ChtII, and Chi-h are the prospective targets for discovering new insecticides as IGRs. In our previous study, we identified the lead compound as a promising multitarget inhibitor.

Rational design and identification of novel thiosemicarbazide derivatives as laccase inhibitors.

Background: Laccase is a key enzyme in the fungal 1,8-dihydroxynaphthalene (DHN) melanin biosynthesis pathway, which is a potential target for the control of pathogenic fungi. In our previous work, compound a2 was found with higher inhibition activity against laccase and antifungal activity than laccase inhibitor PMDD-5Y. The introduction of hydrogen-bonded receptors in the amino part was found to be beneficial in improving laccase inhibitory activity by target-based-biological rational design.

Structure-Based Virtual Screening of Natural Products and Optimization for the Design and Synthesis of Novel Cht1 Inhibitors as Nematicide Candidates.

Nematode chitinases are critical components of the nematode life cycle, and Cht1 is a potential target for developing novel nematicides. Herein, lunidonine, a natural quinoline alkaloid, was first discovered to have inhibitory activity against Cht1, which was acquired from a library of over 16,000 natural products using a structure-based virtual screening methodology. A pocket-based lead optimization strategy was employed based on the predicted binding mode of lunidonine.

Design, Synthesis, and Biological Activity of Novel Laccase Inhibitors as Fungicides against Rice Blast.

Laccase is a potential target for novel agricultural fungicide discovery. was the first agent reported with high activity against laccase to control phytopathogenic fungi. Thirty-two novel agents containing cinnamaldehyde thiosemicarbazide were synthesized with as the lead compound, with most of the target compounds exhibiting excellent activity in vitro.

Design, Synthesis and Bioactivity of Novel Low Bee-Toxicity Compounds Based on Flupyrimin.

Neonicotinoids are important insecticides for controlling aphids in agriculture. Growing research suggested that neonicotinoid insecticides are a key factor causing the decline of global pollinator insects, such as bees. Flupyrimin (FLP) is a novel nicotinic insecticide with unique biological properties and no cross-resistance, and is safe for pollinators.

Synthesis, Antifungal Activity, and 3D-QASR of Novel 1,2,3,4-Tetrahydroquinoline Derivatives Containing a Pyrimidine Ether Scaffold as Chitin Synthase Inhibitors.

The introduction of active groups of natural products into the framework of pesticide molecules is an effective approach for discovering active lead compounds, and thus has been widely used in the development of new agrochemicals. In this work, a novel series of 1,2,3,4-tetrahydroquinoline derivatives containing a pyrimidine ether scaffold were designed and synthesized by the active substructure splicing method. The new compounds showed good antifungal activities against several fungi.

Design, Synthesis, and Biological Activity of Novel Fungicides Containing a 1,2,3,4-Tetrahydroquinoline Scaffold and Acting as Laccase Inhibitors.

Laccase is a novel target for fungicides. We previously developed a new fungicide, 4-chlorocinnamaldehyde thiosemicarbazide (PMDD-5Y), as a laccase inhibitor. The introduction of active groups of natural products into the framework of a pesticide molecular structure is an effective method for discovering active lead compounds, and it has applications in the discovery of new pesticides.

Design, Synthesis, and Fungicidal Activity of Novel Thiosemicarbazide Derivatives Containing Piperidine Fragments.

In order to discover novel eco-friendly lead compounds for plant pathogenic fungi control, a series of benzaldehyde thiosemicarbazide derivatives with a piperidine moiety have been designed and synthesized. Fungicidal activities of all the synthesized compounds were evaluated in vitro. The results indicated that all the title compounds exhibited moderate to good fungicidal activities.