RESUMEN
Soil colour is one of the most important factors in agriculture for monitoring soil health and determining its properties. For this purpose, Munsell soil colour charts are widely used by archaeologists, scientists, and farmers. The process of determining soil colour from the chart is subjective and error-prone. In this study, we used popular smartphones to capture soil colours from images in the Munsell Soil Colour Book (MSCB) to determine the colour digitally. These captured soil colours are then compared with the true colour determined using a commonly used sensor (Nix Pro-2). We have observed that there are colour reading discrepancies between smartphone and Nix Pro-provided readings. To address this issue, we investigated different colour models and finally introduced a colour-intensity relationship between the images captured by Nix Pro and smartphones by exploring different distance functions. Thus, the aim of this study is to determine the Munsell soil colour accurately from the MSCB by adjusting the pixel intensity of the smartphone-captured images. Without any adjustment when the accuracy of individual Munsell soil colour determination is only 9% for the top 5 predictions, the accuracy of the proposed method is 74%, which is significant.
RESUMEN
Plants are an important source of drug development and numerous plant derived molecules have been used in clinical practice for the ailment of various diseases. The Toll-like receptor-4 (TLR-4) signaling pathway plays a crucial role in inflammation including rheumatoid arthritis. The TLR-4 binds with pro-inflammatory ligands such as lipopolysaccharide (LPS) to induce the downstream signaling mechanism such as nuclear factor κappa B (NF-κB) and mitogen activated protein kinases (MAPKs). This signaling activation leads to the onset of various diseases including inflammation. In the present study, 22 natural compounds were studied against TLR-4/AP-1 signaling, which is implicated in the inflammatory process using a computational approach. These compounds belong to various classes such as methylxanthine, sesquiterpene lactone, alkaloid, flavone glycosides, lignan, phenolic acid, etc. The compounds exhibited different binding affinities with the TLR-4, JNK, NF-κB, and AP-1 protein due to the formation of multiple hydrophilic and hydrophobic interactions. With TLR-4, rutin had the highest binding energy (-10.4 kcal/mol), poncirin had the highest binding energy (-9.4 kcal/mol) with NF-κB and JNK (-9.5 kcal/mol), respectively, and icariin had the highest binding affinity (-9.1 kcal/mol) with the AP-1 protein. The root means square deviation (RMSD), root mean square fraction (RMSF), and radius of gyration (RoG) for 150 ns were calculated using molecular dynamic simulation (MD simulation) based on rutin's greatest binding energy with TLR-4. The RMSD, RMSF, and RoG were all within acceptable limits in the MD simulation, and the complex remained stable for 150 ns. Furthermore, these compounds were assessed for the potential toxic effect on various organs such as the liver, heart, genotoxicity, and oral maximum toxic dose. Moreover, the blood-brain barrier permeability and intestinal absorption were also predicted using SwissADME software (Lausanne, Switzerland). These compounds exhibited promising physico-chemical as well as drug-likeness properties. Consequently, these selected compounds portray promising anti-inflammatory and drug-likeness properties.