Where are the new herbicides? Qu, Ren‐Yu; He, Bo; Yang, Jing‐Fang ...
Pest management science,
June 2021, 2021-Jun, 2021-06-00, 20210601, Volume:
77, Issue:
6
Journal Article
4‐Hydroxyphenylpyruvate dioxygenase (HPPD) plays a crucial role in the synthesis of nutrients needed to maintain optimal plant growth. Its level is closely linked to the extent of abiotic stress ...experienced by plants. Moreover, it is also the target of commercial herbicides. Therefore, labeling of HPPD in plants not only enables visualization of its tissue distribution and cellular uptake, it also facilitates assessment of abiotic stress of plants and provides information needed for the development of effective environmentally friendly herbicides. In this study, we created a method for fluorescence labeling of HPPD that avoids interference with the normal growth of plants. In this strategy, a perylene‐linked dibenzyl‐cyclooctyne undergoes strain‐promoted azide‐alkyne cycloaddition with an azide‐containing HPPD ligand. The activation‐based labeling process results in a significant emission enhancement caused by the change in the fluorescent forms from an excimer to a monomer. Notably, this activated bioorthogonal strategy is applicable to visualizing HPPD in Arabidopsis thaliana, and assessing its response to multiple abiotic stresses. Also, it can be employed to monitor in vivo levels and locations of HPPD in crops. Consequently, the labeling strategy will be a significant tool in investigations of HPPD‐related abiotic stress mechanisms, discovering novel herbicides, and uncovering unknown biological functions.
A protocol for activated bioorthogonal fluorescence labeling and imaging of 4‐hydroxyphenylpyruvate dioxygenase in plants is developed.
Full text
Available for:
BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Display omitted
•Online resources facilitate in silico drug-likeness study.•Databases gathering high quality and up to date data are essential for drug-likeness evaluation.•Web servers for ...drug-likeness prediction offers a useful guideline for further optimization.•Nature products are valuable for selecting drug-like molecules with novel scaffolds.•Deep learning would be useful for building of drug-likeness model.
Undesirable pharmacokinetic (PK) properties or unacceptable toxicity are the main causes of the failure of drug candidates at the clinical trial stage. Since the concept of drug-likeness was first proposed, it has become an important consideration in the selection of compounds with desirable bioavailability during the early phases of drug discovery. Over the past decade, online resources have effectively facilitated drug-likeness studies in an economical and time-efficient manner. Here, we provide a comprehensive summary and comparison of current accessible online resources, in terms of their key features, application fields, and performance for in silico drug-likeness studies. We hope that the assembled toolbox will provide useful guidance to facilitate future in silico drug-likeness research.
Full text
Available for:
GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
A series of diphenyl ether-containing pyrazole-carboxamide derivatives was designed and synthesized as new succinate ubiquinone oxidoreductase (SQR) inhibitors. This highly potent molecular scaffold ...was developed from a moderately activie hit 3, obtained from our previous pharmacophore-linked fragment virtual screening (PFVS) method. The results of greenhouse tests indicated that some analogues showed good SQR inhibitory activity, with promising fungicidal activity against Rhizoctonia solani and Sphaerotheca fuliginea at a dosage of 200 mg/L. Most surprisingly, compound 62 showed the highest SQR inhibitory activity with a K i value of 0.081 μM, about 4-fold more potent than penthiopyrad (K i = 0.307 μM). In addition, compounds 43 and 62 displayed excellent fungicidal activity even at a dosage as low as 6.25 mg/L, which was superior to thifluzamide. Moreover, compound 62 exhibited excellent protection effect against R. solani and provided about 81.2% protective control efficancy after 21 days with two sprayings. The present work indicated that these two compounds could be used as potential agricultural fungicides targeting SQR.
Full text
Available for:
IJS, KILJ, NUK, PNG, UL, UM, UPUK
Introduction: Spirooxindole, a unique and versatile scaffold, has been widely studied in some fields such as pharmaceutical chemistry and synthetic chemistry. Especially in the application of ...medicine, quite a few compounds featuring spirooxindole motif have displayed excellent and broad pharmacological activities. Many identified candidate molecules have been used in clinical trials, showing promising prospects.
Areas covered: This article offers an overview of different applications and developments of spirooxindoles (including the related natural products and their derivatives) in the process of drug innovation, including such as in anticancer, antimicrobial, anti-inflammatory, analgesic, antioxidant, antimalarial, and antiviral activities. Furthermore, the crucial structure-activity relationships, molecular mechanisms, pharmacokinetic properties, and main synthetic methods of spirooxindoles-based derivatives are also reviewed.
Expert opinion: Recent progress in the biological activity profiles of spirooxindole derivatives have demonstrated their significant position in present-day drug discovery. Furthermore, we believe that the multidirectional development of novel drugs containing this core scaffold will continue to be the research hotspot in medicinal chemistry in the future.
The development of probes for specific thiophenol detection is of great importance, due to the toxicity of thiophenols and their derivatives in the environment. In the present study, a novel ...fluorescent probe was rationally designed for detecting thiophenols via an intramolecular charge transfer mechanism. The developed probe selectively and sensitively distinguished thiophenols from aliphatic thiols. It displayed a large Stokes shift (145 nm) and >280-fold fluorescence enhancement. Moreover, the new probe not only displayed excellent cell permeability for the successful detection of thiophenol in HEK293 cells but also quantitatively measured thiophenols in water samples with good recovery (more than 90%), indicating that it has promising prospects for application for thiophenol sensing in environmental and biological sciences.
Full text
Available for:
IJS, KILJ, NUK, PNG, UL, UM
The electrocatalytic oxygen evolution reaction (OER) is not strictly a surface reaction, because it takes place in a thin hydrous electrical double layer (EDL). In this work, we perform an in-depth ...study of Nafion ionomer functions in both catalyst inks and catalyst layers (CL) for high-efficiency OER in alkaline media. Based on cyclic voltammetry results, an analysis method is developed to characterize pseudocapacitance and EDL charging capacitance independently. This enables accurate quantification of interfacial charge transport behavior and active sites for OER. Zeta potential measurements confirm that Nafion ionomer serves as a stabilizing and binding agent in catalyst–solvent inks. The data obtained from the half-cell tests in 1 M KOH reveal that increasing ionomer content in CL reduces OER performance due to higher mass transport resistance and less active sites. The sample with I/C = 1/24 (weight ratio of Nafion ionomer to IrO x catalyst) exhibits an approximately 1.7-times higher OER activity than that of I/C = 2/1. Furthermore, the ionomer blocking effect is found to be a common phenomenon, which was observed in a wide range of catalyst loadings and three different catalyst materials. Nevertheless, as demonstrated by Nafion-free samples, the addition of Nafion is indispensable for efficient catalyst utilization. Our study shows that the optimized ionomer content in the CL is 10–30 wt % of catalyst loading. Within this range, Nafion, catalyst particles, and electrolyte solution form efficient interaction, resulting in good connectivity of the charge conduction paths without inhibiting the gas diffusion.
Full text
Available for:
IJS, KILJ, NUK, PNG, UL, UM
Cyanines in the near‐infrared region are a typical example of a classic fluorescent dye that has garnered significant attention and widespread use in the life sciences and biotechnology. Their ...character to form assemblies or aggregates has inspired the development of various functional cyanine dye aggregates in phototherapy. This article provides a brief summary of the strategies used to prepare these cyanine dye aggregates. The reports in this concept suggest that the self‐assembly of cyanine dyes can enhance their photostability, opening up new possibilities for their application in phototherapy. This concept may encourage researchers to explore the development of functional fluorescent dye aggregates further.
Herein we highlight the design strategies for functional NIR cyanine aggregates. The remarkable properties such as enhanced photostability and promoted photothermal efficacy of these aggregates are revealed, and their applications in phototherapy are summarized.
Full text
Available for:
FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
9.
Protect Third Pole's fragile ecosystem Liu, Jie; Milne, Richard I; Cadotte, Marc W ...
Science (American Association for the Advancement of Science),
12/2018, Volume:
362, Issue:
6421
Journal Article
Imbalanced domain prediction analysis is currently one of the hot research topics. Many real‐world data mining analyses involve using imbalanced data to obtain predictive models. In the context of ...imbalance, research on classification problems has been extensive, but research on regression problems is negligible. Rare values rarely occur in imbalanced regression problems, but the focus is on accurately predicting the continuous target variables of rare instances. One of the challenges in imbalanced regression is finding a suitable strategy to rebalance the original dataset in order to improve the predictive performance of the model in rare instances. In this study, two algorithms are proposed: sigma nearest over‐sampling based on convex combination for regression (SNOCCR) and affine combination‐based over‐sampling (ACOS). ACOS rebalances the original dataset by generating new instances through the affine combinations of the original examples. The region where the new instances are generated can be adjusted based on the distribution of the data, ensuring that the generated cases better mimic the distribution of the original examples. The comparison among ACOS, SNOCCR, and other preprocessing methods was conducted on 15 datasets to validate the predictive performance of models trained on rebalanced datasets for rare instances. The experimental results indicate that ACOS outperforms other existing methods.
In this study, two over‐sampling algorithms are proposed: sigma nearest over‐sampling based on convex combination for regression (SNOCCR) and affine combination‐based over‐sampling (ACOS) in order to improve the predictive performance of the model in imbalanced regression. The experimental results indicate that ACOS outperforms other existing methods.
Full text
Available for:
BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
PDF
