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1.
Sci Rep ; 14(1): 9482, 2024 Apr 25.
Artículo en Inglés | MEDLINE | ID: mdl-38664516

RESUMEN

This research proposes a framework for categorizing the radial tire mode shapes using machine learning (ML) based classification and feature recognition algorithms, advancing the development of a digital twin for tire performance analysis. Tire mode shape categorization is required to identify modal features in a specific frequency range to maximize driving performance and secure safety. However, the mode categorization work requires a lot of manual effort to interpret modes. Therefore, this study suggests an ML-based classification tool to replace the conventional categorization process with two primary objectives: (1) create a database by categorizing the tire mode shapes based on the identified features and (2) develop an ML-based surrogate model to classify the tire mode shapes without manual effort. The feature map of the tire mode shape is built with the Zernike annular moment descriptor (ZAMD). The mode shapes are categorized using the correlation value derived by the modal assurance criteria (MAC) with all ZAMD values for each tire mode shape and subsequently creating the appropriate labels. The decision tree, random forests, and XGBoost, the representative supervised-learning algorithms for classification, are implemented for surrogate model development. The best-performed classifier can categorize the mode shapes without any manual effort with a high accuracy of 99.5%.

2.
Environ Pollut ; 336: 122502, 2023 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-37666462

RESUMEN

Microplastics were found to be the major pollutant across the globe. Plastic microbeads, like 0.5 mm, are very small and mainly used for exfoliation. The marine species cannot distinguish between their usual food and these microbeads. Microbeads have the potential to transfer up the food chain, which may lead to consumption by humans in the end. Activated carbon from inexpensive sources has greatly interested separation systems, especially in water treatment. In that view, carbon nanoparticles were produced, combined with polyvinylidene fluoride (PVDF) polymer, and used as a membrane to trap the microplastic particles. UV-Vis, FTIR, TEM, and powder X-ray diffraction (XRD) analysis confirmed the produced carbon nanoparticles. FT-RAMAN Spectroscopy studies, microbial viable cell count, and turbidity analysis followed the membrane preparation and post-treatment. The carbon nanoparticle fabricated nanofilm effectively eliminates the microbial count and microplastics and reduces the turbidity (0.13 NTU). This study confirms that the membrane effectively filters microplastics and other contaminants. Nowadays, nanofiltration technologies have been considered beneficial for eliminating microplastics to an efficiency of 95%. Further research is needed to determine a feasible low-cost, ecologically suitable, and effective solution to remove the microplastics in water.

3.
Biochemistry ; 50(24): 5544-54, 2011 Jun 21.
Artículo en Inglés | MEDLINE | ID: mdl-21574570

RESUMEN

Mammalian type B (mitochondrial) b(5) cytochromes exhibit greater amino acid sequence diversity than their type A (microsomal) counterparts, as exemplified by the type B proteins from human (hCYB5B) and rat (rCYB5B). The comparison of X-ray crystal structures of hCYB5B and rCYB5B reported herein reveals a striking difference in packing involving the five-strand ß-sheet, which can be attributed to fully buried residue 21 in strand ß4. The greater bulk of Leu21 in hCYB5B in comparison to that of Thr21 in rCYB5B results in a substantial displacement of the first two residues in ß5, and consequent loss of two of the three hydrogen bonds between ß5 and ß4. Hydrogen bonding between the residues is instead mediated by two well-ordered, fully buried water molecules. In a 10 ns molecular dynamics simulation, one of the buried water molecules in the hCYB5B structure exchanged readily with solvent via intermediates having three water molecules sandwiched between ß4 and ß5. When the buried water molecules were removed prior to a second 10 ns simulation, ß4 and ß5 formed persistent hydrogen bonds identical to those in rCYB5B, but the Leu21 side chain was forced to adopt a rarely observed conformation. Despite the apparently greater ease of access of water to the interior of hCYB5B than of rCYB5B suggested by these observations, the two proteins exhibit virtually identical stability, dynamic, and redox properties. The results provide new insight into the factors stabilizing the cytochrome b(5) fold.


Asunto(s)
Proteínas Portadoras/química , Proteínas Portadoras/genética , Citocromos b5/química , Citocromos b5/genética , Hemoproteínas/química , Hemoproteínas/genética , Secuencia de Aminoácidos , Sustitución de Aminoácidos , Animales , Cristalografía por Rayos X , Estabilidad de Enzimas , Proteínas de Unión al Hemo , Humanos , Enlace de Hidrógeno , Interacciones Hidrofóbicas e Hidrofílicas , Modelos Moleculares , Simulación de Dinámica Molecular , Datos de Secuencia Molecular , Mutagénesis Sitio-Dirigida , Mutación , Oxidación-Reducción , Dominios y Motivos de Interacción de Proteínas , Estructura Secundaria de Proteína , Ratas , Proteínas Recombinantes/química , Proteínas Recombinantes/genética , Homología de Secuencia de Aminoácido , Especificidad de la Especie , Agua/química
4.
J Biol Chem ; 285(39): 30181-91, 2010 Sep 24.
Artículo en Inglés | MEDLINE | ID: mdl-20630863

RESUMEN

NADH cytochrome b(5) oxidoreductase (Ncb5or) is found in animals and contains three domains similar to cytochrome b(5) (b(5)), CHORD-SGT1 (CS), and cytochrome b(5) reductase (b(5)R). Ncb5or has an important function, as suggested by the diabetes and lipoatrophy phenotypes in Ncb5or null mice. To elucidate the structural and functional properties of human Ncb5or, we generated its individual b(5) and b(5)R domains (Ncb5or-b(5) and Ncb5or-b(5)R, respectively) and compared them with human microsomal b(5) (Cyb5A) and b(5)R (Cyb5R3). A 1.25 Å x-ray crystal structure of Ncb5or-b(5) reveals nearly orthogonal planes of the imidazolyl rings of heme-ligating residues His(89) and His(112), consistent with a highly anisotropic low spin EPR spectrum. Ncb5or is the first member of the cytochrome b(5) family shown to have such a heme environment. Like other b(5) family members, Ncb5or-b(5) has two helix-loop-helix motifs surrounding heme. However, Ncb5or-b(5) differs from Cyb5A with respect to location of the second heme ligand (His(112)) and of polypeptide conformation in its vicinity. Electron transfer from Ncb5or-b(5)R to Ncb5or-b(5) is much less efficient than from Cyb5R3 to Cyb5A, possibly as a consequence of weaker electrostatic interactions. The CS linkage probably obviates the need for strong interactions between b(5) and b(5)R domains in Ncb5or. Studies with a construct combining the Ncb5or CS and b(5)R domains suggest that the CS domain facilitates docking of the b(5) and b(5)R domains. Trp(114) is an invariant surface residue in all known Ncb5or orthologs but appears not to contribute to electron transfer from the b(5)R domain to the b(5) domain.


Asunto(s)
Citocromo-B(5) Reductasa/química , Citocromos b5/química , Hemo/química , Modelos Moleculares , Animales , Cristalografía por Rayos X , Citocromo-B(5) Reductasa/genética , Citocromos b5/genética , Hemo/genética , Humanos , Ratones , Homología Estructural de Proteína
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