MINN: Learning the Dynamics of Differential-Algebraic Equations and Application to Battery Modeling.

The concept of integrating physics-based and data-driven approaches has become popular for modeling sustainable energy systems. However, the existing literature mainly focuses on the data-driven surrogates generated to replace physics-based models. These models often trade accuracy for speed but lack the generalizability, adaptability, and interpretability inherent in physics-based models, which are often indispensable in modeling real-world dynamic systems for optimization and control purposes.

A peptidoglycan recognition protein acts in whitefly (Bemisia tabaci) immunity and involves in Begomovirus acquisition.

Peptidoglycan recognition proteins (PGRPs) are multifunctional pattern recognition proteins. Here, we report that a PGRP gene, BtPGRP, encodes a PGRP from the whitefly Bemisia tabaci (MEAM1) that binds and kills bacteria in vitro. We analyzed BtPGRP transcriptional profiling, and the distribution of the cognate protein within the midgut.

Isolation and synthesis of falcitidin, a novel myxobacterial-derived acyltetrapeptide with activity against the malaria target falcipain-2.

A 384-well microtitre plate fluorescence cleavage assay was developed to identify inhibitors of the cysteine protease falcipain-2, an important antimalarial drug target. Bioassay-guided isolation of a MeOH extract from a myxobacterium Chitinophaga sp. Y23 isolated from soil collected in Singapore, led to the identification of a new acyltetrapeptide, falcitidin (1), which displayed an IC50 value of 6 μM against falcipain-2.

Two new antifungal alkaloids produced by Streptoverticillium morookaense.

A new carbazole alkaloid, streptoverticillin, and a new 2-azetidinone, streptoverticillinone, along with three known cyclodipeptides were isolated from the mycelial solid culture of Streptoverticillium morookaense. Their structures were elucidated by analysis of 1D and 2D NMR, mass spectra and optical rotation data. Two new compounds exhibited antifungal activity against Peronophythora litchii.

Polyporolide, a new acetogenin from the mycelial culture of a Polyporus fungus.

A new acetogenin, polyporolide (1), was isolated from the mycelial solid cultures of a Polyporus basidiomycete. Its structure was elucidated as 4-hydroxy-5-(1-hydroxyhexyl)-dihydrofuran-2-one by spectroscopic methods. Its toxicity to brine shrimps was assessed.

Two new biologically active illudane sesquiterpenes from the mycelial cultures of Panaeolus retirugis.

Two new illudane sesquiterpenes, paneolic acid and paneolilludinic acid, along with a known antibiotic diterpene, pleuromutilin, were isolated from the mycelial solid cultures of Panaeolus retirugis. Their structures were elucidated on the basis of spectroscopic analysis. Both compounds exhibited antibacterial activity against Staphylococcus aureus, and paneolic acid showed cytotoxicity to HL60 cell with an IC50 of 18.

Sesquiterpenes from the mycelial cultures of Dichomitus squalens.

Three new sesquiterpenes including a rearranged hirsutane, dichomitol (1), an aromadendrane, 2beta,13-dihydroxyledol (2), and a 1,10-seco-2,3-seco-aromadendrane, dichomitone (3), were isolated from mycelial solid cultures of Dichomitus squalens. Their structures were elucidated by spectroscopic methods, and their nematicidal activities against Bursaphelenchus xylophilus were assessed.

Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea.

An extract from the fungus Emericella aurantiobrunnea was found to compete with macrophage inflammatory protein (MIP)-1alpha for binding to human CCR5 in a scintillation proximity assay (SPA). Bioassay-guided fractionation led to the isolation of variecolin (1) and variecolol (2), which had IC50 values of 9 and 32 microM, respectively. An X-ray crystal structure of variecolin (1) was obtained for the first time.

10-Methoxydihydrofuscin, fuscinarin, and fuscin, novel antagonists of the human CCR5 receptor from Oidiodendron griseum.

Two new compounds, 10-methoxydihydrofuscin (1) and fuscinarin (2), and one known compound, fuscin (3), have been isolated from the soil fungus Oidiodendron griseum. These compounds were found to compete effectively with macrophage inflammatory protein (MIP)-1 alpha for binding to human CCR5, an important anti HIV-1 target that interferes with HIV entry into cells. The structures of these compounds were elucidated by spectroscopic methods.

Agonodepsides a and B: two new depsides from a filamentous fungus F7524.

Two new compounds, agonodepsides A (1) and B (2), were isolated from a nonsporulating filamentous fungus, F7524. The compounds were purified via reversed-phase chromatography and their structures determined by spectroscopic methods. Agonodepside A (1) was found to inhibit the mycobacterial InhA enzyme with an IC50 value of 75 microM, while 2 was inactive at 100 microM.