Evidence map›Paper›PMID 38732680›Full record

ArticlePolymers2024

Study of Cellulose Dissolution in ZnO/NaOH/Water Solvent Solution and Its Temperature-Dependent Effect Using Molecular Dynamics Simulation.

Lamiae Bourassi, Meriem El Mrani, Mohammed Merzouki, Rania Abidi, Haytham Bouammali, Boufelja Bouammali, Larbi Elfarh, Rachid Touzani, Allal Challioui, Mohamed Siaj

Abstract read
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In one paragraph

Article in Polymers, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Lamiae BourassiLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Meriem El MraniLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Mohammed MerzoukiLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.ORCID 0000-0003-1132-4468
Rania AbidiLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Haytham BouammaliLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Boufelja BouammaliLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Larbi ElfarhLaboratory of Theoretical Physics, Particles, Modeling and Energies (LPTPME), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.ORCID 0000-0002-3805-0041
Rachid TouzaniLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.ORCID 0000-0001-7333-697X
Allal ChalliouiLaboratory of Applied Chemistry and Environment (LCAE), Organic Macromolecular Chemistry & Phytochemistry (ECOMP), Faculty of Sciences, Mohammed First University, Oujda 62000, Morocco.
Mohamed SiajChemistry Department, Université Québec A Montréal, Montréal, QC H3C 3P8, Canada.ORCID 0000-0003-0499-4260

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Cellulose is a biopolymer with numerous advantages that make it an ecological, economical, and high-performing choice for various applications. To fully exploit the potential of cellulose, it is often necessary to dissolve it, which poses a current challenge. The aqueous zinc oxide/sodium hydroxide (ZnO/NaOH/Water) system is a preferred solvent for its rapid dissolution, non-toxicity, low cost, and environmentally friendly nature. In this context, the behavior of cellulose chains in the aqueous solution of ZnO/NaOH and the impact of temperature on the solubility of this polymer were examined through a molecular dynamics simulation. The analysis of the root means square deviation (RMSD), interaction energy, hydrogen bond curves, and radial distribution function revealed that cellulose is insoluble in the ZnO/NaOH solvent at room temperature (T = 298 K). Decreasing the temperature in the range of 273 K to 268 K led to a geometric deformation of cellulose chains, accompanied by a decrease in the number of interchain hydrogen bonds over the simulation time, thus confirming the solubility of cellulose in this system between T = 273 K and T = 268 K.

Indexed as

cellulosecellulose dissolutionhydrogen bondingMD simulationtemperature behavior of cellulosethe interaction energy between cellulose and aqueous solventZnO/NaOH aqueous solution

Identifiers

PMID38732680
PMCPMC11085821

What Socratic holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.