Dataset Information

Computational Investigations on Soundproof Applications of Foam-Formed Cellulose Materials.

ABSTRACT: Recent studies have highlighted an innovative way to produce highly porous materials based on cellulose fibers. These studies have focused on the foam-forming process, where the cellulose fibers and other components are mixed with foam. In the authors' previous research, the foam-formed cellulose materials (FCM) were obtained by mixing a surfactant with cellulose fibers, taken from virgin pulp and recovered papers. In the present paper, the authors performed additional experimental and computational analyses in order to evaluate the sound insulation capabilities of these FCM beyond the initial impedance of tube investigations. The poroacoustics computational methodology parameters-i.e., airflow resistivity, porosity, tortuosity, viscous, and thermal characteristic lengths-were herein evaluated. This analysis was performed using both a theoretical/empirical approach from the specialized literature and an experimental investigation developed by the authors. The computational investigations were conducted in two stages: First, we evaluated the approximation of the experimentally gained normal incidence parameters, in terms of absorption and reflection, respectively, relative to the estimated ones. The second stage of analysis consists of a parametrical estimation of sound insulation characteristics concerning the incidence angle of sound hitting the porous layer. The results presented in this paper are in agreement with the computational experimental results, providing extended soundproof characteristics to the incidence angle of the acoustic field. Further, this study supplies additional information useful for future analyses regarding the influences of random geometry air inclusions into the FCM layer.

SUBMITTER: Debeleac C

PROVIDER: S-EPMC6680988 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Computational Investigations on Soundproof Applications of Foam-Formed Cellulose Materials.

Debeleac Carmen C Nechita Petronela P Nastac Silviu S

Polymers 20190723 7

Recent studies have highlighted an innovative way to produce highly porous materials based on cellulose fibers. These studies have focused on the foam-forming process, where the cellulose fibers and other components are mixed with foam. In the authors' previous research, the foam-formed cellulose materials (FCM) were obtained by mixing a surfactant with cellulose fibers, taken from virgin pulp and recovered papers. In the present paper, the authors performed additional experimental and computati ...[more]

PMID: 31340427

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Project description:The increasing use of information technology in the discovery of new molecular entities encourages the use of modern molecular-modeling tools to help teach important concepts of drug design to chemistry and pharmacy undergraduate students. In particular, statistical models such as quantitative structure-activity relationships (QSAR)-often as its 3D QSAR variant-are commonly used in the development and optimization of a leading compound. We describe how these drug discovery methods can be taught and learned by means of free and open-source web applications, specifically the online platform www.3d-qsar.com. This new suite of web applications has been integrated into a drug design teaching course, one that provides both theoretical and practical perspectives. We include the teaching protocol by which pharmaceutical biotechnology master students at Pharmacy Faculty of Sapienza Rome University are introduced to drug design. Starting with a choice among recent articles describing the potencies of a series of molecules tested against a biological target, each student is expected to build a 3D QSAR ligand-based model from their chosen publication, proceeding as follows: creating the initial data set (Py-MolEdit); generating the global minimum conformations (Py-ConfSearch); proposing a promising mutual alignment (Py-Align); and finally, building, and optimizing a robust 3D QSAR models (Py-CoMFA). These student activities also help validate these new molecular modeling tools, especially for their usability by inexperienced hands. To more fully demonstrate the effectiveness of this protocol and its tools, we include the work performed by four of these students (four of the coauthors), detailing the satisfactory 3D QSAR models they obtained. Such scientifically complete experiences by undergraduates, made possible by the efficiency of the 3D QSAR methodology, provide exposure to computational tools in the same spirit as traditional laboratory exercises. With the obsolescence of the classic Comparative Molecular Field Analysis Sybyl host, the 3dqsar web portal offers one of the few available means of performing this well-established 3D QSAR method.

Dataset Information

Computational Investigations on Soundproof Applications of Foam-Formed Cellulose Materials.

Publications

Computational Investigations on Soundproof Applications of Foam-Formed Cellulose Materials.

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